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- .gitattributes +3 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_basinhopping.py +753 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_bglu_dense.cpython-310-x86_64-linux-gnu.so +3 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_cobyqa_py.py +62 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_constraints.py +590 -0
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- vila/lib/python3.10/site-packages/scipy/optimize/_direct.cpython-310-x86_64-linux-gnu.so +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_direct_py.py +278 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_group_columns.cpython-310-x86_64-linux-gnu.so +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_hessian_update_strategy.py +475 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/__init__.py +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/_highs_constants.cpython-310-x86_64-linux-gnu.so +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HConst.pxd +106 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/Highs.pxd +56 -0
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- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsLp.pxd +46 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsLpUtils.pxd +9 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsModelUtils.pxd +10 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsOptions.pxd +110 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsRuntimeOptions.pxd +9 -0
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- vila/lib/python3.10/site-packages/scipy/optimize/_linprog.py +716 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_linprog_highs.py +440 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_linprog_ip.py +1126 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_linprog_rs.py +572 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_linprog_simplex.py +661 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_linprog_util.py +1522 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_lsap.cpython-310-x86_64-linux-gnu.so +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_milp.py +392 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_minpack_py.py +1164 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_moduleTNC.cpython-310-x86_64-linux-gnu.so +3 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_nnls.py +164 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_nonlin.py +1585 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_numdiff.py +779 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_optimize.py +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_pava_pybind.cpython-310-x86_64-linux-gnu.so +3 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_root_scalar.py +525 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__init__.py +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/__init__.cpython-310.pyc +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/_complex.cpython-310.pyc +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/_vertex.cpython-310.pyc +0 -0
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- vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/_vertex.py +460 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_slsqp.cpython-310-x86_64-linux-gnu.so +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_tnc.py +430 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__init__.py +6 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/__init__.cpython-310.pyc +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/canonical_constraint.cpython-310.pyc +0 -0
- vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/equality_constrained_sqp.cpython-310.pyc +0 -0
.gitattributes
CHANGED
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@@ -1077,3 +1077,6 @@ vila/lib/python3.10/site-packages/pandas/tests/io/__pycache__/test_sql.cpython-3
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vila/lib/python3.10/site-packages/pandas/tests/tools/__pycache__/test_to_datetime.cpython-310.pyc filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/av/bitstream.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/av/enum.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/pandas/tests/tools/__pycache__/test_to_datetime.cpython-310.pyc filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/av/bitstream.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/av/enum.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/scipy/optimize/_pava_pybind.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/scipy/optimize/_bglu_dense.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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| 1082 |
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vila/lib/python3.10/site-packages/scipy/optimize/_moduleTNC.cpython-310-x86_64-linux-gnu.so filter=lfs diff=lfs merge=lfs -text
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vila/lib/python3.10/site-packages/scipy/optimize/_basinhopping.py
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|
| 1 |
+
"""
|
| 2 |
+
basinhopping: The basinhopping global optimization algorithm
|
| 3 |
+
"""
|
| 4 |
+
import numpy as np
|
| 5 |
+
import math
|
| 6 |
+
import inspect
|
| 7 |
+
import scipy.optimize
|
| 8 |
+
from scipy._lib._util import check_random_state
|
| 9 |
+
|
| 10 |
+
__all__ = ['basinhopping']
|
| 11 |
+
|
| 12 |
+
|
| 13 |
+
_params = (inspect.Parameter('res_new', kind=inspect.Parameter.KEYWORD_ONLY),
|
| 14 |
+
inspect.Parameter('res_old', kind=inspect.Parameter.KEYWORD_ONLY))
|
| 15 |
+
_new_accept_test_signature = inspect.Signature(parameters=_params)
|
| 16 |
+
|
| 17 |
+
|
| 18 |
+
class Storage:
|
| 19 |
+
"""
|
| 20 |
+
Class used to store the lowest energy structure
|
| 21 |
+
"""
|
| 22 |
+
def __init__(self, minres):
|
| 23 |
+
self._add(minres)
|
| 24 |
+
|
| 25 |
+
def _add(self, minres):
|
| 26 |
+
self.minres = minres
|
| 27 |
+
self.minres.x = np.copy(minres.x)
|
| 28 |
+
|
| 29 |
+
def update(self, minres):
|
| 30 |
+
if minres.success and (minres.fun < self.minres.fun
|
| 31 |
+
or not self.minres.success):
|
| 32 |
+
self._add(minres)
|
| 33 |
+
return True
|
| 34 |
+
else:
|
| 35 |
+
return False
|
| 36 |
+
|
| 37 |
+
def get_lowest(self):
|
| 38 |
+
return self.minres
|
| 39 |
+
|
| 40 |
+
|
| 41 |
+
class BasinHoppingRunner:
|
| 42 |
+
"""This class implements the core of the basinhopping algorithm.
|
| 43 |
+
|
| 44 |
+
x0 : ndarray
|
| 45 |
+
The starting coordinates.
|
| 46 |
+
minimizer : callable
|
| 47 |
+
The local minimizer, with signature ``result = minimizer(x)``.
|
| 48 |
+
The return value is an `optimize.OptimizeResult` object.
|
| 49 |
+
step_taking : callable
|
| 50 |
+
This function displaces the coordinates randomly. Signature should
|
| 51 |
+
be ``x_new = step_taking(x)``. Note that `x` may be modified in-place.
|
| 52 |
+
accept_tests : list of callables
|
| 53 |
+
Each test is passed the kwargs `f_new`, `x_new`, `f_old` and
|
| 54 |
+
`x_old`. These tests will be used to judge whether or not to accept
|
| 55 |
+
the step. The acceptable return values are True, False, or ``"force
|
| 56 |
+
accept"``. If any of the tests return False then the step is rejected.
|
| 57 |
+
If ``"force accept"``, then this will override any other tests in
|
| 58 |
+
order to accept the step. This can be used, for example, to forcefully
|
| 59 |
+
escape from a local minimum that ``basinhopping`` is trapped in.
|
| 60 |
+
disp : bool, optional
|
| 61 |
+
Display status messages.
|
| 62 |
+
|
| 63 |
+
"""
|
| 64 |
+
def __init__(self, x0, minimizer, step_taking, accept_tests, disp=False):
|
| 65 |
+
self.x = np.copy(x0)
|
| 66 |
+
self.minimizer = minimizer
|
| 67 |
+
self.step_taking = step_taking
|
| 68 |
+
self.accept_tests = accept_tests
|
| 69 |
+
self.disp = disp
|
| 70 |
+
|
| 71 |
+
self.nstep = 0
|
| 72 |
+
|
| 73 |
+
# initialize return object
|
| 74 |
+
self.res = scipy.optimize.OptimizeResult()
|
| 75 |
+
self.res.minimization_failures = 0
|
| 76 |
+
|
| 77 |
+
# do initial minimization
|
| 78 |
+
minres = minimizer(self.x)
|
| 79 |
+
if not minres.success:
|
| 80 |
+
self.res.minimization_failures += 1
|
| 81 |
+
if self.disp:
|
| 82 |
+
print("warning: basinhopping: local minimization failure")
|
| 83 |
+
self.x = np.copy(minres.x)
|
| 84 |
+
self.energy = minres.fun
|
| 85 |
+
self.incumbent_minres = minres # best minimize result found so far
|
| 86 |
+
if self.disp:
|
| 87 |
+
print("basinhopping step %d: f %g" % (self.nstep, self.energy))
|
| 88 |
+
|
| 89 |
+
# initialize storage class
|
| 90 |
+
self.storage = Storage(minres)
|
| 91 |
+
|
| 92 |
+
if hasattr(minres, "nfev"):
|
| 93 |
+
self.res.nfev = minres.nfev
|
| 94 |
+
if hasattr(minres, "njev"):
|
| 95 |
+
self.res.njev = minres.njev
|
| 96 |
+
if hasattr(minres, "nhev"):
|
| 97 |
+
self.res.nhev = minres.nhev
|
| 98 |
+
|
| 99 |
+
def _monte_carlo_step(self):
|
| 100 |
+
"""Do one Monte Carlo iteration
|
| 101 |
+
|
| 102 |
+
Randomly displace the coordinates, minimize, and decide whether
|
| 103 |
+
or not to accept the new coordinates.
|
| 104 |
+
"""
|
| 105 |
+
# Take a random step. Make a copy of x because the step_taking
|
| 106 |
+
# algorithm might change x in place
|
| 107 |
+
x_after_step = np.copy(self.x)
|
| 108 |
+
x_after_step = self.step_taking(x_after_step)
|
| 109 |
+
|
| 110 |
+
# do a local minimization
|
| 111 |
+
minres = self.minimizer(x_after_step)
|
| 112 |
+
x_after_quench = minres.x
|
| 113 |
+
energy_after_quench = minres.fun
|
| 114 |
+
if not minres.success:
|
| 115 |
+
self.res.minimization_failures += 1
|
| 116 |
+
if self.disp:
|
| 117 |
+
print("warning: basinhopping: local minimization failure")
|
| 118 |
+
if hasattr(minres, "nfev"):
|
| 119 |
+
self.res.nfev += minres.nfev
|
| 120 |
+
if hasattr(minres, "njev"):
|
| 121 |
+
self.res.njev += minres.njev
|
| 122 |
+
if hasattr(minres, "nhev"):
|
| 123 |
+
self.res.nhev += minres.nhev
|
| 124 |
+
|
| 125 |
+
# accept the move based on self.accept_tests. If any test is False,
|
| 126 |
+
# then reject the step. If any test returns the special string
|
| 127 |
+
# 'force accept', then accept the step regardless. This can be used
|
| 128 |
+
# to forcefully escape from a local minimum if normal basin hopping
|
| 129 |
+
# steps are not sufficient.
|
| 130 |
+
accept = True
|
| 131 |
+
for test in self.accept_tests:
|
| 132 |
+
if inspect.signature(test) == _new_accept_test_signature:
|
| 133 |
+
testres = test(res_new=minres, res_old=self.incumbent_minres)
|
| 134 |
+
else:
|
| 135 |
+
testres = test(f_new=energy_after_quench, x_new=x_after_quench,
|
| 136 |
+
f_old=self.energy, x_old=self.x)
|
| 137 |
+
|
| 138 |
+
if testres == 'force accept':
|
| 139 |
+
accept = True
|
| 140 |
+
break
|
| 141 |
+
elif testres is None:
|
| 142 |
+
raise ValueError("accept_tests must return True, False, or "
|
| 143 |
+
"'force accept'")
|
| 144 |
+
elif not testres:
|
| 145 |
+
accept = False
|
| 146 |
+
|
| 147 |
+
# Report the result of the acceptance test to the take step class.
|
| 148 |
+
# This is for adaptive step taking
|
| 149 |
+
if hasattr(self.step_taking, "report"):
|
| 150 |
+
self.step_taking.report(accept, f_new=energy_after_quench,
|
| 151 |
+
x_new=x_after_quench, f_old=self.energy,
|
| 152 |
+
x_old=self.x)
|
| 153 |
+
|
| 154 |
+
return accept, minres
|
| 155 |
+
|
| 156 |
+
def one_cycle(self):
|
| 157 |
+
"""Do one cycle of the basinhopping algorithm
|
| 158 |
+
"""
|
| 159 |
+
self.nstep += 1
|
| 160 |
+
new_global_min = False
|
| 161 |
+
|
| 162 |
+
accept, minres = self._monte_carlo_step()
|
| 163 |
+
|
| 164 |
+
if accept:
|
| 165 |
+
self.energy = minres.fun
|
| 166 |
+
self.x = np.copy(minres.x)
|
| 167 |
+
self.incumbent_minres = minres # best minimize result found so far
|
| 168 |
+
new_global_min = self.storage.update(minres)
|
| 169 |
+
|
| 170 |
+
# print some information
|
| 171 |
+
if self.disp:
|
| 172 |
+
self.print_report(minres.fun, accept)
|
| 173 |
+
if new_global_min:
|
| 174 |
+
print("found new global minimum on step %d with function"
|
| 175 |
+
" value %g" % (self.nstep, self.energy))
|
| 176 |
+
|
| 177 |
+
# save some variables as BasinHoppingRunner attributes
|
| 178 |
+
self.xtrial = minres.x
|
| 179 |
+
self.energy_trial = minres.fun
|
| 180 |
+
self.accept = accept
|
| 181 |
+
|
| 182 |
+
return new_global_min
|
| 183 |
+
|
| 184 |
+
def print_report(self, energy_trial, accept):
|
| 185 |
+
"""print a status update"""
|
| 186 |
+
minres = self.storage.get_lowest()
|
| 187 |
+
print("basinhopping step %d: f %g trial_f %g accepted %d "
|
| 188 |
+
" lowest_f %g" % (self.nstep, self.energy, energy_trial,
|
| 189 |
+
accept, minres.fun))
|
| 190 |
+
|
| 191 |
+
|
| 192 |
+
class AdaptiveStepsize:
|
| 193 |
+
"""
|
| 194 |
+
Class to implement adaptive stepsize.
|
| 195 |
+
|
| 196 |
+
This class wraps the step taking class and modifies the stepsize to
|
| 197 |
+
ensure the true acceptance rate is as close as possible to the target.
|
| 198 |
+
|
| 199 |
+
Parameters
|
| 200 |
+
----------
|
| 201 |
+
takestep : callable
|
| 202 |
+
The step taking routine. Must contain modifiable attribute
|
| 203 |
+
takestep.stepsize
|
| 204 |
+
accept_rate : float, optional
|
| 205 |
+
The target step acceptance rate
|
| 206 |
+
interval : int, optional
|
| 207 |
+
Interval for how often to update the stepsize
|
| 208 |
+
factor : float, optional
|
| 209 |
+
The step size is multiplied or divided by this factor upon each
|
| 210 |
+
update.
|
| 211 |
+
verbose : bool, optional
|
| 212 |
+
Print information about each update
|
| 213 |
+
|
| 214 |
+
"""
|
| 215 |
+
def __init__(self, takestep, accept_rate=0.5, interval=50, factor=0.9,
|
| 216 |
+
verbose=True):
|
| 217 |
+
self.takestep = takestep
|
| 218 |
+
self.target_accept_rate = accept_rate
|
| 219 |
+
self.interval = interval
|
| 220 |
+
self.factor = factor
|
| 221 |
+
self.verbose = verbose
|
| 222 |
+
|
| 223 |
+
self.nstep = 0
|
| 224 |
+
self.nstep_tot = 0
|
| 225 |
+
self.naccept = 0
|
| 226 |
+
|
| 227 |
+
def __call__(self, x):
|
| 228 |
+
return self.take_step(x)
|
| 229 |
+
|
| 230 |
+
def _adjust_step_size(self):
|
| 231 |
+
old_stepsize = self.takestep.stepsize
|
| 232 |
+
accept_rate = float(self.naccept) / self.nstep
|
| 233 |
+
if accept_rate > self.target_accept_rate:
|
| 234 |
+
# We're accepting too many steps. This generally means we're
|
| 235 |
+
# trapped in a basin. Take bigger steps.
|
| 236 |
+
self.takestep.stepsize /= self.factor
|
| 237 |
+
else:
|
| 238 |
+
# We're not accepting enough steps. Take smaller steps.
|
| 239 |
+
self.takestep.stepsize *= self.factor
|
| 240 |
+
if self.verbose:
|
| 241 |
+
print(f"adaptive stepsize: acceptance rate {accept_rate:f} target "
|
| 242 |
+
f"{self.target_accept_rate:f} new stepsize "
|
| 243 |
+
f"{self.takestep.stepsize:g} old stepsize {old_stepsize:g}")
|
| 244 |
+
|
| 245 |
+
def take_step(self, x):
|
| 246 |
+
self.nstep += 1
|
| 247 |
+
self.nstep_tot += 1
|
| 248 |
+
if self.nstep % self.interval == 0:
|
| 249 |
+
self._adjust_step_size()
|
| 250 |
+
return self.takestep(x)
|
| 251 |
+
|
| 252 |
+
def report(self, accept, **kwargs):
|
| 253 |
+
"called by basinhopping to report the result of the step"
|
| 254 |
+
if accept:
|
| 255 |
+
self.naccept += 1
|
| 256 |
+
|
| 257 |
+
|
| 258 |
+
class RandomDisplacement:
|
| 259 |
+
"""Add a random displacement of maximum size `stepsize` to each coordinate.
|
| 260 |
+
|
| 261 |
+
Calling this updates `x` in-place.
|
| 262 |
+
|
| 263 |
+
Parameters
|
| 264 |
+
----------
|
| 265 |
+
stepsize : float, optional
|
| 266 |
+
Maximum stepsize in any dimension
|
| 267 |
+
random_gen : {None, int, `numpy.random.Generator`,
|
| 268 |
+
`numpy.random.RandomState`}, optional
|
| 269 |
+
|
| 270 |
+
If `seed` is None (or `np.random`), the `numpy.random.RandomState`
|
| 271 |
+
singleton is used.
|
| 272 |
+
If `seed` is an int, a new ``RandomState`` instance is used,
|
| 273 |
+
seeded with `seed`.
|
| 274 |
+
If `seed` is already a ``Generator`` or ``RandomState`` instance then
|
| 275 |
+
that instance is used.
|
| 276 |
+
|
| 277 |
+
"""
|
| 278 |
+
|
| 279 |
+
def __init__(self, stepsize=0.5, random_gen=None):
|
| 280 |
+
self.stepsize = stepsize
|
| 281 |
+
self.random_gen = check_random_state(random_gen)
|
| 282 |
+
|
| 283 |
+
def __call__(self, x):
|
| 284 |
+
x += self.random_gen.uniform(-self.stepsize, self.stepsize,
|
| 285 |
+
np.shape(x))
|
| 286 |
+
return x
|
| 287 |
+
|
| 288 |
+
|
| 289 |
+
class MinimizerWrapper:
|
| 290 |
+
"""
|
| 291 |
+
wrap a minimizer function as a minimizer class
|
| 292 |
+
"""
|
| 293 |
+
def __init__(self, minimizer, func=None, **kwargs):
|
| 294 |
+
self.minimizer = minimizer
|
| 295 |
+
self.func = func
|
| 296 |
+
self.kwargs = kwargs
|
| 297 |
+
|
| 298 |
+
def __call__(self, x0):
|
| 299 |
+
if self.func is None:
|
| 300 |
+
return self.minimizer(x0, **self.kwargs)
|
| 301 |
+
else:
|
| 302 |
+
return self.minimizer(self.func, x0, **self.kwargs)
|
| 303 |
+
|
| 304 |
+
|
| 305 |
+
class Metropolis:
|
| 306 |
+
"""Metropolis acceptance criterion.
|
| 307 |
+
|
| 308 |
+
Parameters
|
| 309 |
+
----------
|
| 310 |
+
T : float
|
| 311 |
+
The "temperature" parameter for the accept or reject criterion.
|
| 312 |
+
random_gen : {None, int, `numpy.random.Generator`,
|
| 313 |
+
`numpy.random.RandomState`}, optional
|
| 314 |
+
|
| 315 |
+
If `seed` is None (or `np.random`), the `numpy.random.RandomState`
|
| 316 |
+
singleton is used.
|
| 317 |
+
If `seed` is an int, a new ``RandomState`` instance is used,
|
| 318 |
+
seeded with `seed`.
|
| 319 |
+
If `seed` is already a ``Generator`` or ``RandomState`` instance then
|
| 320 |
+
that instance is used.
|
| 321 |
+
Random number generator used for acceptance test.
|
| 322 |
+
|
| 323 |
+
"""
|
| 324 |
+
|
| 325 |
+
def __init__(self, T, random_gen=None):
|
| 326 |
+
# Avoid ZeroDivisionError since "MBH can be regarded as a special case
|
| 327 |
+
# of the BH framework with the Metropolis criterion, where temperature
|
| 328 |
+
# T = 0." (Reject all steps that increase energy.)
|
| 329 |
+
self.beta = 1.0 / T if T != 0 else float('inf')
|
| 330 |
+
self.random_gen = check_random_state(random_gen)
|
| 331 |
+
|
| 332 |
+
def accept_reject(self, res_new, res_old):
|
| 333 |
+
"""
|
| 334 |
+
Assuming the local search underlying res_new was successful:
|
| 335 |
+
If new energy is lower than old, it will always be accepted.
|
| 336 |
+
If new is higher than old, there is a chance it will be accepted,
|
| 337 |
+
less likely for larger differences.
|
| 338 |
+
"""
|
| 339 |
+
with np.errstate(invalid='ignore'):
|
| 340 |
+
# The energy values being fed to Metropolis are 1-length arrays, and if
|
| 341 |
+
# they are equal, their difference is 0, which gets multiplied by beta,
|
| 342 |
+
# which is inf, and array([0]) * float('inf') causes
|
| 343 |
+
#
|
| 344 |
+
# RuntimeWarning: invalid value encountered in multiply
|
| 345 |
+
#
|
| 346 |
+
# Ignore this warning so when the algorithm is on a flat plane, it always
|
| 347 |
+
# accepts the step, to try to move off the plane.
|
| 348 |
+
prod = -(res_new.fun - res_old.fun) * self.beta
|
| 349 |
+
w = math.exp(min(0, prod))
|
| 350 |
+
|
| 351 |
+
rand = self.random_gen.uniform()
|
| 352 |
+
return w >= rand and (res_new.success or not res_old.success)
|
| 353 |
+
|
| 354 |
+
def __call__(self, *, res_new, res_old):
|
| 355 |
+
"""
|
| 356 |
+
f_new and f_old are mandatory in kwargs
|
| 357 |
+
"""
|
| 358 |
+
return bool(self.accept_reject(res_new, res_old))
|
| 359 |
+
|
| 360 |
+
|
| 361 |
+
def basinhopping(func, x0, niter=100, T=1.0, stepsize=0.5,
|
| 362 |
+
minimizer_kwargs=None, take_step=None, accept_test=None,
|
| 363 |
+
callback=None, interval=50, disp=False, niter_success=None,
|
| 364 |
+
seed=None, *, target_accept_rate=0.5, stepwise_factor=0.9):
|
| 365 |
+
"""Find the global minimum of a function using the basin-hopping algorithm.
|
| 366 |
+
|
| 367 |
+
Basin-hopping is a two-phase method that combines a global stepping
|
| 368 |
+
algorithm with local minimization at each step. Designed to mimic
|
| 369 |
+
the natural process of energy minimization of clusters of atoms, it works
|
| 370 |
+
well for similar problems with "funnel-like, but rugged" energy landscapes
|
| 371 |
+
[5]_.
|
| 372 |
+
|
| 373 |
+
As the step-taking, step acceptance, and minimization methods are all
|
| 374 |
+
customizable, this function can also be used to implement other two-phase
|
| 375 |
+
methods.
|
| 376 |
+
|
| 377 |
+
Parameters
|
| 378 |
+
----------
|
| 379 |
+
func : callable ``f(x, *args)``
|
| 380 |
+
Function to be optimized. ``args`` can be passed as an optional item
|
| 381 |
+
in the dict `minimizer_kwargs`
|
| 382 |
+
x0 : array_like
|
| 383 |
+
Initial guess.
|
| 384 |
+
niter : integer, optional
|
| 385 |
+
The number of basin-hopping iterations. There will be a total of
|
| 386 |
+
``niter + 1`` runs of the local minimizer.
|
| 387 |
+
T : float, optional
|
| 388 |
+
The "temperature" parameter for the acceptance or rejection criterion.
|
| 389 |
+
Higher "temperatures" mean that larger jumps in function value will be
|
| 390 |
+
accepted. For best results `T` should be comparable to the
|
| 391 |
+
separation (in function value) between local minima.
|
| 392 |
+
stepsize : float, optional
|
| 393 |
+
Maximum step size for use in the random displacement.
|
| 394 |
+
minimizer_kwargs : dict, optional
|
| 395 |
+
Extra keyword arguments to be passed to the local minimizer
|
| 396 |
+
`scipy.optimize.minimize` Some important options could be:
|
| 397 |
+
|
| 398 |
+
method : str
|
| 399 |
+
The minimization method (e.g. ``"L-BFGS-B"``)
|
| 400 |
+
args : tuple
|
| 401 |
+
Extra arguments passed to the objective function (`func`) and
|
| 402 |
+
its derivatives (Jacobian, Hessian).
|
| 403 |
+
|
| 404 |
+
take_step : callable ``take_step(x)``, optional
|
| 405 |
+
Replace the default step-taking routine with this routine. The default
|
| 406 |
+
step-taking routine is a random displacement of the coordinates, but
|
| 407 |
+
other step-taking algorithms may be better for some systems.
|
| 408 |
+
`take_step` can optionally have the attribute ``take_step.stepsize``.
|
| 409 |
+
If this attribute exists, then `basinhopping` will adjust
|
| 410 |
+
``take_step.stepsize`` in order to try to optimize the global minimum
|
| 411 |
+
search.
|
| 412 |
+
accept_test : callable, ``accept_test(f_new=f_new, x_new=x_new, f_old=fold, x_old=x_old)``, optional
|
| 413 |
+
Define a test which will be used to judge whether to accept the
|
| 414 |
+
step. This will be used in addition to the Metropolis test based on
|
| 415 |
+
"temperature" `T`. The acceptable return values are True,
|
| 416 |
+
False, or ``"force accept"``. If any of the tests return False
|
| 417 |
+
then the step is rejected. If the latter, then this will override any
|
| 418 |
+
other tests in order to accept the step. This can be used, for example,
|
| 419 |
+
to forcefully escape from a local minimum that `basinhopping` is
|
| 420 |
+
trapped in.
|
| 421 |
+
callback : callable, ``callback(x, f, accept)``, optional
|
| 422 |
+
A callback function which will be called for all minima found. ``x``
|
| 423 |
+
and ``f`` are the coordinates and function value of the trial minimum,
|
| 424 |
+
and ``accept`` is whether that minimum was accepted. This can
|
| 425 |
+
be used, for example, to save the lowest N minima found. Also,
|
| 426 |
+
`callback` can be used to specify a user defined stop criterion by
|
| 427 |
+
optionally returning True to stop the `basinhopping` routine.
|
| 428 |
+
interval : integer, optional
|
| 429 |
+
interval for how often to update the `stepsize`
|
| 430 |
+
disp : bool, optional
|
| 431 |
+
Set to True to print status messages
|
| 432 |
+
niter_success : integer, optional
|
| 433 |
+
Stop the run if the global minimum candidate remains the same for this
|
| 434 |
+
number of iterations.
|
| 435 |
+
seed : {None, int, `numpy.random.Generator`, `numpy.random.RandomState`}, optional
|
| 436 |
+
|
| 437 |
+
If `seed` is None (or `np.random`), the `numpy.random.RandomState`
|
| 438 |
+
singleton is used.
|
| 439 |
+
If `seed` is an int, a new ``RandomState`` instance is used,
|
| 440 |
+
seeded with `seed`.
|
| 441 |
+
If `seed` is already a ``Generator`` or ``RandomState`` instance then
|
| 442 |
+
that instance is used.
|
| 443 |
+
Specify `seed` for repeatable minimizations. The random numbers
|
| 444 |
+
generated with this seed only affect the default Metropolis
|
| 445 |
+
`accept_test` and the default `take_step`. If you supply your own
|
| 446 |
+
`take_step` and `accept_test`, and these functions use random
|
| 447 |
+
number generation, then those functions are responsible for the state
|
| 448 |
+
of their random number generator.
|
| 449 |
+
target_accept_rate : float, optional
|
| 450 |
+
The target acceptance rate that is used to adjust the `stepsize`.
|
| 451 |
+
If the current acceptance rate is greater than the target,
|
| 452 |
+
then the `stepsize` is increased. Otherwise, it is decreased.
|
| 453 |
+
Range is (0, 1). Default is 0.5.
|
| 454 |
+
|
| 455 |
+
.. versionadded:: 1.8.0
|
| 456 |
+
|
| 457 |
+
stepwise_factor : float, optional
|
| 458 |
+
The `stepsize` is multiplied or divided by this stepwise factor upon
|
| 459 |
+
each update. Range is (0, 1). Default is 0.9.
|
| 460 |
+
|
| 461 |
+
.. versionadded:: 1.8.0
|
| 462 |
+
|
| 463 |
+
Returns
|
| 464 |
+
-------
|
| 465 |
+
res : OptimizeResult
|
| 466 |
+
The optimization result represented as a `OptimizeResult` object.
|
| 467 |
+
Important attributes are: ``x`` the solution array, ``fun`` the value
|
| 468 |
+
of the function at the solution, and ``message`` which describes the
|
| 469 |
+
cause of the termination. The ``OptimizeResult`` object returned by the
|
| 470 |
+
selected minimizer at the lowest minimum is also contained within this
|
| 471 |
+
object and can be accessed through the ``lowest_optimization_result``
|
| 472 |
+
attribute. See `OptimizeResult` for a description of other attributes.
|
| 473 |
+
|
| 474 |
+
See Also
|
| 475 |
+
--------
|
| 476 |
+
minimize :
|
| 477 |
+
The local minimization function called once for each basinhopping step.
|
| 478 |
+
`minimizer_kwargs` is passed to this routine.
|
| 479 |
+
|
| 480 |
+
Notes
|
| 481 |
+
-----
|
| 482 |
+
Basin-hopping is a stochastic algorithm which attempts to find the global
|
| 483 |
+
minimum of a smooth scalar function of one or more variables [1]_ [2]_ [3]_
|
| 484 |
+
[4]_. The algorithm in its current form was described by David Wales and
|
| 485 |
+
Jonathan Doye [2]_ http://www-wales.ch.cam.ac.uk/.
|
| 486 |
+
|
| 487 |
+
The algorithm is iterative with each cycle composed of the following
|
| 488 |
+
features
|
| 489 |
+
|
| 490 |
+
1) random perturbation of the coordinates
|
| 491 |
+
|
| 492 |
+
2) local minimization
|
| 493 |
+
|
| 494 |
+
3) accept or reject the new coordinates based on the minimized function
|
| 495 |
+
value
|
| 496 |
+
|
| 497 |
+
The acceptance test used here is the Metropolis criterion of standard Monte
|
| 498 |
+
Carlo algorithms, although there are many other possibilities [3]_.
|
| 499 |
+
|
| 500 |
+
This global minimization method has been shown to be extremely efficient
|
| 501 |
+
for a wide variety of problems in physics and chemistry. It is
|
| 502 |
+
particularly useful when the function has many minima separated by large
|
| 503 |
+
barriers. See the `Cambridge Cluster Database
|
| 504 |
+
<https://www-wales.ch.cam.ac.uk/CCD.html>`_ for databases of molecular
|
| 505 |
+
systems that have been optimized primarily using basin-hopping. This
|
| 506 |
+
database includes minimization problems exceeding 300 degrees of freedom.
|
| 507 |
+
|
| 508 |
+
See the free software program `GMIN <https://www-wales.ch.cam.ac.uk/GMIN>`_
|
| 509 |
+
for a Fortran implementation of basin-hopping. This implementation has many
|
| 510 |
+
variations of the procedure described above, including more
|
| 511 |
+
advanced step taking algorithms and alternate acceptance criterion.
|
| 512 |
+
|
| 513 |
+
For stochastic global optimization there is no way to determine if the true
|
| 514 |
+
global minimum has actually been found. Instead, as a consistency check,
|
| 515 |
+
the algorithm can be run from a number of different random starting points
|
| 516 |
+
to ensure the lowest minimum found in each example has converged to the
|
| 517 |
+
global minimum. For this reason, `basinhopping` will by default simply
|
| 518 |
+
run for the number of iterations `niter` and return the lowest minimum
|
| 519 |
+
found. It is left to the user to ensure that this is in fact the global
|
| 520 |
+
minimum.
|
| 521 |
+
|
| 522 |
+
Choosing `stepsize`: This is a crucial parameter in `basinhopping` and
|
| 523 |
+
depends on the problem being solved. The step is chosen uniformly in the
|
| 524 |
+
region from x0-stepsize to x0+stepsize, in each dimension. Ideally, it
|
| 525 |
+
should be comparable to the typical separation (in argument values) between
|
| 526 |
+
local minima of the function being optimized. `basinhopping` will, by
|
| 527 |
+
default, adjust `stepsize` to find an optimal value, but this may take
|
| 528 |
+
many iterations. You will get quicker results if you set a sensible
|
| 529 |
+
initial value for ``stepsize``.
|
| 530 |
+
|
| 531 |
+
Choosing `T`: The parameter `T` is the "temperature" used in the
|
| 532 |
+
Metropolis criterion. Basinhopping steps are always accepted if
|
| 533 |
+
``func(xnew) < func(xold)``. Otherwise, they are accepted with
|
| 534 |
+
probability::
|
| 535 |
+
|
| 536 |
+
exp( -(func(xnew) - func(xold)) / T )
|
| 537 |
+
|
| 538 |
+
So, for best results, `T` should to be comparable to the typical
|
| 539 |
+
difference (in function values) between local minima. (The height of
|
| 540 |
+
"walls" between local minima is irrelevant.)
|
| 541 |
+
|
| 542 |
+
If `T` is 0, the algorithm becomes Monotonic Basin-Hopping, in which all
|
| 543 |
+
steps that increase energy are rejected.
|
| 544 |
+
|
| 545 |
+
.. versionadded:: 0.12.0
|
| 546 |
+
|
| 547 |
+
References
|
| 548 |
+
----------
|
| 549 |
+
.. [1] Wales, David J. 2003, Energy Landscapes, Cambridge University Press,
|
| 550 |
+
Cambridge, UK.
|
| 551 |
+
.. [2] Wales, D J, and Doye J P K, Global Optimization by Basin-Hopping and
|
| 552 |
+
the Lowest Energy Structures of Lennard-Jones Clusters Containing up to
|
| 553 |
+
110 Atoms. Journal of Physical Chemistry A, 1997, 101, 5111.
|
| 554 |
+
.. [3] Li, Z. and Scheraga, H. A., Monte Carlo-minimization approach to the
|
| 555 |
+
multiple-minima problem in protein folding, Proc. Natl. Acad. Sci. USA,
|
| 556 |
+
1987, 84, 6611.
|
| 557 |
+
.. [4] Wales, D. J. and Scheraga, H. A., Global optimization of clusters,
|
| 558 |
+
crystals, and biomolecules, Science, 1999, 285, 1368.
|
| 559 |
+
.. [5] Olson, B., Hashmi, I., Molloy, K., and Shehu1, A., Basin Hopping as
|
| 560 |
+
a General and Versatile Optimization Framework for the Characterization
|
| 561 |
+
of Biological Macromolecules, Advances in Artificial Intelligence,
|
| 562 |
+
Volume 2012 (2012), Article ID 674832, :doi:`10.1155/2012/674832`
|
| 563 |
+
|
| 564 |
+
Examples
|
| 565 |
+
--------
|
| 566 |
+
The following example is a 1-D minimization problem, with many
|
| 567 |
+
local minima superimposed on a parabola.
|
| 568 |
+
|
| 569 |
+
>>> import numpy as np
|
| 570 |
+
>>> from scipy.optimize import basinhopping
|
| 571 |
+
>>> func = lambda x: np.cos(14.5 * x - 0.3) + (x + 0.2) * x
|
| 572 |
+
>>> x0 = [1.]
|
| 573 |
+
|
| 574 |
+
Basinhopping, internally, uses a local minimization algorithm. We will use
|
| 575 |
+
the parameter `minimizer_kwargs` to tell basinhopping which algorithm to
|
| 576 |
+
use and how to set up that minimizer. This parameter will be passed to
|
| 577 |
+
`scipy.optimize.minimize`.
|
| 578 |
+
|
| 579 |
+
>>> minimizer_kwargs = {"method": "BFGS"}
|
| 580 |
+
>>> ret = basinhopping(func, x0, minimizer_kwargs=minimizer_kwargs,
|
| 581 |
+
... niter=200)
|
| 582 |
+
>>> # the global minimum is:
|
| 583 |
+
>>> ret.x, ret.fun
|
| 584 |
+
-0.1951, -1.0009
|
| 585 |
+
|
| 586 |
+
Next consider a 2-D minimization problem. Also, this time, we
|
| 587 |
+
will use gradient information to significantly speed up the search.
|
| 588 |
+
|
| 589 |
+
>>> def func2d(x):
|
| 590 |
+
... f = np.cos(14.5 * x[0] - 0.3) + (x[1] + 0.2) * x[1] + (x[0] +
|
| 591 |
+
... 0.2) * x[0]
|
| 592 |
+
... df = np.zeros(2)
|
| 593 |
+
... df[0] = -14.5 * np.sin(14.5 * x[0] - 0.3) + 2. * x[0] + 0.2
|
| 594 |
+
... df[1] = 2. * x[1] + 0.2
|
| 595 |
+
... return f, df
|
| 596 |
+
|
| 597 |
+
We'll also use a different local minimization algorithm. Also, we must tell
|
| 598 |
+
the minimizer that our function returns both energy and gradient (Jacobian).
|
| 599 |
+
|
| 600 |
+
>>> minimizer_kwargs = {"method":"L-BFGS-B", "jac":True}
|
| 601 |
+
>>> x0 = [1.0, 1.0]
|
| 602 |
+
>>> ret = basinhopping(func2d, x0, minimizer_kwargs=minimizer_kwargs,
|
| 603 |
+
... niter=200)
|
| 604 |
+
>>> print("global minimum: x = [%.4f, %.4f], f(x) = %.4f" % (ret.x[0],
|
| 605 |
+
... ret.x[1],
|
| 606 |
+
... ret.fun))
|
| 607 |
+
global minimum: x = [-0.1951, -0.1000], f(x) = -1.0109
|
| 608 |
+
|
| 609 |
+
Here is an example using a custom step-taking routine. Imagine you want
|
| 610 |
+
the first coordinate to take larger steps than the rest of the coordinates.
|
| 611 |
+
This can be implemented like so:
|
| 612 |
+
|
| 613 |
+
>>> class MyTakeStep:
|
| 614 |
+
... def __init__(self, stepsize=0.5):
|
| 615 |
+
... self.stepsize = stepsize
|
| 616 |
+
... self.rng = np.random.default_rng()
|
| 617 |
+
... def __call__(self, x):
|
| 618 |
+
... s = self.stepsize
|
| 619 |
+
... x[0] += self.rng.uniform(-2.*s, 2.*s)
|
| 620 |
+
... x[1:] += self.rng.uniform(-s, s, x[1:].shape)
|
| 621 |
+
... return x
|
| 622 |
+
|
| 623 |
+
Since ``MyTakeStep.stepsize`` exists basinhopping will adjust the magnitude
|
| 624 |
+
of `stepsize` to optimize the search. We'll use the same 2-D function as
|
| 625 |
+
before
|
| 626 |
+
|
| 627 |
+
>>> mytakestep = MyTakeStep()
|
| 628 |
+
>>> ret = basinhopping(func2d, x0, minimizer_kwargs=minimizer_kwargs,
|
| 629 |
+
... niter=200, take_step=mytakestep)
|
| 630 |
+
>>> print("global minimum: x = [%.4f, %.4f], f(x) = %.4f" % (ret.x[0],
|
| 631 |
+
... ret.x[1],
|
| 632 |
+
... ret.fun))
|
| 633 |
+
global minimum: x = [-0.1951, -0.1000], f(x) = -1.0109
|
| 634 |
+
|
| 635 |
+
Now, let's do an example using a custom callback function which prints the
|
| 636 |
+
value of every minimum found
|
| 637 |
+
|
| 638 |
+
>>> def print_fun(x, f, accepted):
|
| 639 |
+
... print("at minimum %.4f accepted %d" % (f, int(accepted)))
|
| 640 |
+
|
| 641 |
+
We'll run it for only 10 basinhopping steps this time.
|
| 642 |
+
|
| 643 |
+
>>> rng = np.random.default_rng()
|
| 644 |
+
>>> ret = basinhopping(func2d, x0, minimizer_kwargs=minimizer_kwargs,
|
| 645 |
+
... niter=10, callback=print_fun, seed=rng)
|
| 646 |
+
at minimum 0.4159 accepted 1
|
| 647 |
+
at minimum -0.4317 accepted 1
|
| 648 |
+
at minimum -1.0109 accepted 1
|
| 649 |
+
at minimum -0.9073 accepted 1
|
| 650 |
+
at minimum -0.4317 accepted 0
|
| 651 |
+
at minimum -0.1021 accepted 1
|
| 652 |
+
at minimum -0.7425 accepted 1
|
| 653 |
+
at minimum -0.9073 accepted 1
|
| 654 |
+
at minimum -0.4317 accepted 0
|
| 655 |
+
at minimum -0.7425 accepted 1
|
| 656 |
+
at minimum -0.9073 accepted 1
|
| 657 |
+
|
| 658 |
+
The minimum at -1.0109 is actually the global minimum, found already on the
|
| 659 |
+
8th iteration.
|
| 660 |
+
|
| 661 |
+
""" # numpy/numpydoc#87 # noqa: E501
|
| 662 |
+
if target_accept_rate <= 0. or target_accept_rate >= 1.:
|
| 663 |
+
raise ValueError('target_accept_rate has to be in range (0, 1)')
|
| 664 |
+
if stepwise_factor <= 0. or stepwise_factor >= 1.:
|
| 665 |
+
raise ValueError('stepwise_factor has to be in range (0, 1)')
|
| 666 |
+
|
| 667 |
+
x0 = np.array(x0)
|
| 668 |
+
|
| 669 |
+
# set up the np.random generator
|
| 670 |
+
rng = check_random_state(seed)
|
| 671 |
+
|
| 672 |
+
# set up minimizer
|
| 673 |
+
if minimizer_kwargs is None:
|
| 674 |
+
minimizer_kwargs = dict()
|
| 675 |
+
wrapped_minimizer = MinimizerWrapper(scipy.optimize.minimize, func,
|
| 676 |
+
**minimizer_kwargs)
|
| 677 |
+
|
| 678 |
+
# set up step-taking algorithm
|
| 679 |
+
if take_step is not None:
|
| 680 |
+
if not callable(take_step):
|
| 681 |
+
raise TypeError("take_step must be callable")
|
| 682 |
+
# if take_step.stepsize exists then use AdaptiveStepsize to control
|
| 683 |
+
# take_step.stepsize
|
| 684 |
+
if hasattr(take_step, "stepsize"):
|
| 685 |
+
take_step_wrapped = AdaptiveStepsize(
|
| 686 |
+
take_step, interval=interval,
|
| 687 |
+
accept_rate=target_accept_rate,
|
| 688 |
+
factor=stepwise_factor,
|
| 689 |
+
verbose=disp)
|
| 690 |
+
else:
|
| 691 |
+
take_step_wrapped = take_step
|
| 692 |
+
else:
|
| 693 |
+
# use default
|
| 694 |
+
displace = RandomDisplacement(stepsize=stepsize, random_gen=rng)
|
| 695 |
+
take_step_wrapped = AdaptiveStepsize(displace, interval=interval,
|
| 696 |
+
accept_rate=target_accept_rate,
|
| 697 |
+
factor=stepwise_factor,
|
| 698 |
+
verbose=disp)
|
| 699 |
+
|
| 700 |
+
# set up accept tests
|
| 701 |
+
accept_tests = []
|
| 702 |
+
if accept_test is not None:
|
| 703 |
+
if not callable(accept_test):
|
| 704 |
+
raise TypeError("accept_test must be callable")
|
| 705 |
+
accept_tests = [accept_test]
|
| 706 |
+
|
| 707 |
+
# use default
|
| 708 |
+
metropolis = Metropolis(T, random_gen=rng)
|
| 709 |
+
accept_tests.append(metropolis)
|
| 710 |
+
|
| 711 |
+
if niter_success is None:
|
| 712 |
+
niter_success = niter + 2
|
| 713 |
+
|
| 714 |
+
bh = BasinHoppingRunner(x0, wrapped_minimizer, take_step_wrapped,
|
| 715 |
+
accept_tests, disp=disp)
|
| 716 |
+
|
| 717 |
+
# The wrapped minimizer is called once during construction of
|
| 718 |
+
# BasinHoppingRunner, so run the callback
|
| 719 |
+
if callable(callback):
|
| 720 |
+
callback(bh.storage.minres.x, bh.storage.minres.fun, True)
|
| 721 |
+
|
| 722 |
+
# start main iteration loop
|
| 723 |
+
count, i = 0, 0
|
| 724 |
+
message = ["requested number of basinhopping iterations completed"
|
| 725 |
+
" successfully"]
|
| 726 |
+
for i in range(niter):
|
| 727 |
+
new_global_min = bh.one_cycle()
|
| 728 |
+
|
| 729 |
+
if callable(callback):
|
| 730 |
+
# should we pass a copy of x?
|
| 731 |
+
val = callback(bh.xtrial, bh.energy_trial, bh.accept)
|
| 732 |
+
if val is not None:
|
| 733 |
+
if val:
|
| 734 |
+
message = ["callback function requested stop early by"
|
| 735 |
+
"returning True"]
|
| 736 |
+
break
|
| 737 |
+
|
| 738 |
+
count += 1
|
| 739 |
+
if new_global_min:
|
| 740 |
+
count = 0
|
| 741 |
+
elif count > niter_success:
|
| 742 |
+
message = ["success condition satisfied"]
|
| 743 |
+
break
|
| 744 |
+
|
| 745 |
+
# prepare return object
|
| 746 |
+
res = bh.res
|
| 747 |
+
res.lowest_optimization_result = bh.storage.get_lowest()
|
| 748 |
+
res.x = np.copy(res.lowest_optimization_result.x)
|
| 749 |
+
res.fun = res.lowest_optimization_result.fun
|
| 750 |
+
res.message = message
|
| 751 |
+
res.nit = i + 1
|
| 752 |
+
res.success = res.lowest_optimization_result.success
|
| 753 |
+
return res
|
vila/lib/python3.10/site-packages/scipy/optimize/_bglu_dense.cpython-310-x86_64-linux-gnu.so
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:c45eca1a2737717c4e47975adcd7b7c1c1d02e98dba7d5103eea7e67787a6fea
|
| 3 |
+
size 364392
|
vila/lib/python3.10/site-packages/scipy/optimize/_cobyqa_py.py
ADDED
|
@@ -0,0 +1,62 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
|
| 3 |
+
from ._optimize import _check_unknown_options
|
| 4 |
+
|
| 5 |
+
|
| 6 |
+
def _minimize_cobyqa(fun, x0, args=(), bounds=None, constraints=(),
|
| 7 |
+
callback=None, disp=False, maxfev=None, maxiter=None,
|
| 8 |
+
f_target=-np.inf, feasibility_tol=1e-8,
|
| 9 |
+
initial_tr_radius=1.0, final_tr_radius=1e-6, scale=False,
|
| 10 |
+
**unknown_options):
|
| 11 |
+
"""
|
| 12 |
+
Minimize a scalar function of one or more variables using the
|
| 13 |
+
Constrained Optimization BY Quadratic Approximations (COBYQA) algorithm [1]_.
|
| 14 |
+
|
| 15 |
+
.. versionadded:: 1.14.0
|
| 16 |
+
|
| 17 |
+
Options
|
| 18 |
+
-------
|
| 19 |
+
disp : bool
|
| 20 |
+
Set to True to print information about the optimization procedure.
|
| 21 |
+
maxfev : int
|
| 22 |
+
Maximum number of function evaluations.
|
| 23 |
+
maxiter : int
|
| 24 |
+
Maximum number of iterations.
|
| 25 |
+
f_target : float
|
| 26 |
+
Target value for the objective function. The optimization procedure is
|
| 27 |
+
terminated when the objective function value of a feasible point (see
|
| 28 |
+
`feasibility_tol` below) is less than or equal to this target.
|
| 29 |
+
feasibility_tol : float
|
| 30 |
+
Absolute tolerance for the constraint violation.
|
| 31 |
+
initial_tr_radius : float
|
| 32 |
+
Initial trust-region radius. Typically, this value should be in the
|
| 33 |
+
order of one tenth of the greatest expected change to the variables.
|
| 34 |
+
final_tr_radius : float
|
| 35 |
+
Final trust-region radius. It should indicate the accuracy required in
|
| 36 |
+
the final values of the variables. If provided, this option overrides
|
| 37 |
+
the value of `tol` in the `minimize` function.
|
| 38 |
+
scale : bool
|
| 39 |
+
Set to True to scale the variables according to the bounds. If True and
|
| 40 |
+
if all the lower and upper bounds are finite, the variables are scaled
|
| 41 |
+
to be within the range :math:`[-1, 1]`. If any of the lower or upper
|
| 42 |
+
bounds is infinite, the variables are not scaled.
|
| 43 |
+
|
| 44 |
+
References
|
| 45 |
+
----------
|
| 46 |
+
.. [1] COBYQA
|
| 47 |
+
https://www.cobyqa.com/stable/
|
| 48 |
+
"""
|
| 49 |
+
from .._lib.cobyqa import minimize # import here to avoid circular imports
|
| 50 |
+
|
| 51 |
+
_check_unknown_options(unknown_options)
|
| 52 |
+
options = {
|
| 53 |
+
'disp': bool(disp),
|
| 54 |
+
'maxfev': int(maxfev) if maxfev is not None else 500 * len(x0),
|
| 55 |
+
'maxiter': int(maxiter) if maxiter is not None else 1000 * len(x0),
|
| 56 |
+
'target': float(f_target),
|
| 57 |
+
'feasibility_tol': float(feasibility_tol),
|
| 58 |
+
'radius_init': float(initial_tr_radius),
|
| 59 |
+
'radius_final': float(final_tr_radius),
|
| 60 |
+
'scale': bool(scale),
|
| 61 |
+
}
|
| 62 |
+
return minimize(fun, x0, args, bounds, constraints, callback, options)
|
vila/lib/python3.10/site-packages/scipy/optimize/_constraints.py
ADDED
|
@@ -0,0 +1,590 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
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|
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|
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|
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|
|
|
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|
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|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
|
|
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|
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|
|
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|
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|
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|
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|
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|
| 1 |
+
"""Constraints definition for minimize."""
|
| 2 |
+
import numpy as np
|
| 3 |
+
from ._hessian_update_strategy import BFGS
|
| 4 |
+
from ._differentiable_functions import (
|
| 5 |
+
VectorFunction, LinearVectorFunction, IdentityVectorFunction)
|
| 6 |
+
from ._optimize import OptimizeWarning
|
| 7 |
+
from warnings import warn, catch_warnings, simplefilter, filterwarnings
|
| 8 |
+
from scipy.sparse import issparse
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
def _arr_to_scalar(x):
|
| 12 |
+
# If x is a numpy array, return x.item(). This will
|
| 13 |
+
# fail if the array has more than one element.
|
| 14 |
+
return x.item() if isinstance(x, np.ndarray) else x
|
| 15 |
+
|
| 16 |
+
|
| 17 |
+
class NonlinearConstraint:
|
| 18 |
+
"""Nonlinear constraint on the variables.
|
| 19 |
+
|
| 20 |
+
The constraint has the general inequality form::
|
| 21 |
+
|
| 22 |
+
lb <= fun(x) <= ub
|
| 23 |
+
|
| 24 |
+
Here the vector of independent variables x is passed as ndarray of shape
|
| 25 |
+
(n,) and ``fun`` returns a vector with m components.
|
| 26 |
+
|
| 27 |
+
It is possible to use equal bounds to represent an equality constraint or
|
| 28 |
+
infinite bounds to represent a one-sided constraint.
|
| 29 |
+
|
| 30 |
+
Parameters
|
| 31 |
+
----------
|
| 32 |
+
fun : callable
|
| 33 |
+
The function defining the constraint.
|
| 34 |
+
The signature is ``fun(x) -> array_like, shape (m,)``.
|
| 35 |
+
lb, ub : array_like
|
| 36 |
+
Lower and upper bounds on the constraint. Each array must have the
|
| 37 |
+
shape (m,) or be a scalar, in the latter case a bound will be the same
|
| 38 |
+
for all components of the constraint. Use ``np.inf`` with an
|
| 39 |
+
appropriate sign to specify a one-sided constraint.
|
| 40 |
+
Set components of `lb` and `ub` equal to represent an equality
|
| 41 |
+
constraint. Note that you can mix constraints of different types:
|
| 42 |
+
interval, one-sided or equality, by setting different components of
|
| 43 |
+
`lb` and `ub` as necessary.
|
| 44 |
+
jac : {callable, '2-point', '3-point', 'cs'}, optional
|
| 45 |
+
Method of computing the Jacobian matrix (an m-by-n matrix,
|
| 46 |
+
where element (i, j) is the partial derivative of f[i] with
|
| 47 |
+
respect to x[j]). The keywords {'2-point', '3-point',
|
| 48 |
+
'cs'} select a finite difference scheme for the numerical estimation.
|
| 49 |
+
A callable must have the following signature:
|
| 50 |
+
``jac(x) -> {ndarray, sparse matrix}, shape (m, n)``.
|
| 51 |
+
Default is '2-point'.
|
| 52 |
+
hess : {callable, '2-point', '3-point', 'cs', HessianUpdateStrategy, None}, optional
|
| 53 |
+
Method for computing the Hessian matrix. The keywords
|
| 54 |
+
{'2-point', '3-point', 'cs'} select a finite difference scheme for
|
| 55 |
+
numerical estimation. Alternatively, objects implementing
|
| 56 |
+
`HessianUpdateStrategy` interface can be used to approximate the
|
| 57 |
+
Hessian. Currently available implementations are:
|
| 58 |
+
|
| 59 |
+
- `BFGS` (default option)
|
| 60 |
+
- `SR1`
|
| 61 |
+
|
| 62 |
+
A callable must return the Hessian matrix of ``dot(fun, v)`` and
|
| 63 |
+
must have the following signature:
|
| 64 |
+
``hess(x, v) -> {LinearOperator, sparse matrix, array_like}, shape (n, n)``.
|
| 65 |
+
Here ``v`` is ndarray with shape (m,) containing Lagrange multipliers.
|
| 66 |
+
keep_feasible : array_like of bool, optional
|
| 67 |
+
Whether to keep the constraint components feasible throughout
|
| 68 |
+
iterations. A single value set this property for all components.
|
| 69 |
+
Default is False. Has no effect for equality constraints.
|
| 70 |
+
finite_diff_rel_step: None or array_like, optional
|
| 71 |
+
Relative step size for the finite difference approximation. Default is
|
| 72 |
+
None, which will select a reasonable value automatically depending
|
| 73 |
+
on a finite difference scheme.
|
| 74 |
+
finite_diff_jac_sparsity: {None, array_like, sparse matrix}, optional
|
| 75 |
+
Defines the sparsity structure of the Jacobian matrix for finite
|
| 76 |
+
difference estimation, its shape must be (m, n). If the Jacobian has
|
| 77 |
+
only few non-zero elements in *each* row, providing the sparsity
|
| 78 |
+
structure will greatly speed up the computations. A zero entry means
|
| 79 |
+
that a corresponding element in the Jacobian is identically zero.
|
| 80 |
+
If provided, forces the use of 'lsmr' trust-region solver.
|
| 81 |
+
If None (default) then dense differencing will be used.
|
| 82 |
+
|
| 83 |
+
Notes
|
| 84 |
+
-----
|
| 85 |
+
Finite difference schemes {'2-point', '3-point', 'cs'} may be used for
|
| 86 |
+
approximating either the Jacobian or the Hessian. We, however, do not allow
|
| 87 |
+
its use for approximating both simultaneously. Hence whenever the Jacobian
|
| 88 |
+
is estimated via finite-differences, we require the Hessian to be estimated
|
| 89 |
+
using one of the quasi-Newton strategies.
|
| 90 |
+
|
| 91 |
+
The scheme 'cs' is potentially the most accurate, but requires the function
|
| 92 |
+
to correctly handles complex inputs and be analytically continuable to the
|
| 93 |
+
complex plane. The scheme '3-point' is more accurate than '2-point' but
|
| 94 |
+
requires twice as many operations.
|
| 95 |
+
|
| 96 |
+
Examples
|
| 97 |
+
--------
|
| 98 |
+
Constrain ``x[0] < sin(x[1]) + 1.9``
|
| 99 |
+
|
| 100 |
+
>>> from scipy.optimize import NonlinearConstraint
|
| 101 |
+
>>> import numpy as np
|
| 102 |
+
>>> con = lambda x: x[0] - np.sin(x[1])
|
| 103 |
+
>>> nlc = NonlinearConstraint(con, -np.inf, 1.9)
|
| 104 |
+
|
| 105 |
+
"""
|
| 106 |
+
def __init__(self, fun, lb, ub, jac='2-point', hess=BFGS(),
|
| 107 |
+
keep_feasible=False, finite_diff_rel_step=None,
|
| 108 |
+
finite_diff_jac_sparsity=None):
|
| 109 |
+
self.fun = fun
|
| 110 |
+
self.lb = lb
|
| 111 |
+
self.ub = ub
|
| 112 |
+
self.finite_diff_rel_step = finite_diff_rel_step
|
| 113 |
+
self.finite_diff_jac_sparsity = finite_diff_jac_sparsity
|
| 114 |
+
self.jac = jac
|
| 115 |
+
self.hess = hess
|
| 116 |
+
self.keep_feasible = keep_feasible
|
| 117 |
+
|
| 118 |
+
|
| 119 |
+
class LinearConstraint:
|
| 120 |
+
"""Linear constraint on the variables.
|
| 121 |
+
|
| 122 |
+
The constraint has the general inequality form::
|
| 123 |
+
|
| 124 |
+
lb <= A.dot(x) <= ub
|
| 125 |
+
|
| 126 |
+
Here the vector of independent variables x is passed as ndarray of shape
|
| 127 |
+
(n,) and the matrix A has shape (m, n).
|
| 128 |
+
|
| 129 |
+
It is possible to use equal bounds to represent an equality constraint or
|
| 130 |
+
infinite bounds to represent a one-sided constraint.
|
| 131 |
+
|
| 132 |
+
Parameters
|
| 133 |
+
----------
|
| 134 |
+
A : {array_like, sparse matrix}, shape (m, n)
|
| 135 |
+
Matrix defining the constraint.
|
| 136 |
+
lb, ub : dense array_like, optional
|
| 137 |
+
Lower and upper limits on the constraint. Each array must have the
|
| 138 |
+
shape (m,) or be a scalar, in the latter case a bound will be the same
|
| 139 |
+
for all components of the constraint. Use ``np.inf`` with an
|
| 140 |
+
appropriate sign to specify a one-sided constraint.
|
| 141 |
+
Set components of `lb` and `ub` equal to represent an equality
|
| 142 |
+
constraint. Note that you can mix constraints of different types:
|
| 143 |
+
interval, one-sided or equality, by setting different components of
|
| 144 |
+
`lb` and `ub` as necessary. Defaults to ``lb = -np.inf``
|
| 145 |
+
and ``ub = np.inf`` (no limits).
|
| 146 |
+
keep_feasible : dense array_like of bool, optional
|
| 147 |
+
Whether to keep the constraint components feasible throughout
|
| 148 |
+
iterations. A single value set this property for all components.
|
| 149 |
+
Default is False. Has no effect for equality constraints.
|
| 150 |
+
"""
|
| 151 |
+
def _input_validation(self):
|
| 152 |
+
if self.A.ndim != 2:
|
| 153 |
+
message = "`A` must have exactly two dimensions."
|
| 154 |
+
raise ValueError(message)
|
| 155 |
+
|
| 156 |
+
try:
|
| 157 |
+
shape = self.A.shape[0:1]
|
| 158 |
+
self.lb = np.broadcast_to(self.lb, shape)
|
| 159 |
+
self.ub = np.broadcast_to(self.ub, shape)
|
| 160 |
+
self.keep_feasible = np.broadcast_to(self.keep_feasible, shape)
|
| 161 |
+
except ValueError:
|
| 162 |
+
message = ("`lb`, `ub`, and `keep_feasible` must be broadcastable "
|
| 163 |
+
"to shape `A.shape[0:1]`")
|
| 164 |
+
raise ValueError(message)
|
| 165 |
+
|
| 166 |
+
def __init__(self, A, lb=-np.inf, ub=np.inf, keep_feasible=False):
|
| 167 |
+
if not issparse(A):
|
| 168 |
+
# In some cases, if the constraint is not valid, this emits a
|
| 169 |
+
# VisibleDeprecationWarning about ragged nested sequences
|
| 170 |
+
# before eventually causing an error. `scipy.optimize.milp` would
|
| 171 |
+
# prefer that this just error out immediately so it can handle it
|
| 172 |
+
# rather than concerning the user.
|
| 173 |
+
with catch_warnings():
|
| 174 |
+
simplefilter("error")
|
| 175 |
+
self.A = np.atleast_2d(A).astype(np.float64)
|
| 176 |
+
else:
|
| 177 |
+
self.A = A
|
| 178 |
+
if issparse(lb) or issparse(ub):
|
| 179 |
+
raise ValueError("Constraint limits must be dense arrays.")
|
| 180 |
+
self.lb = np.atleast_1d(lb).astype(np.float64)
|
| 181 |
+
self.ub = np.atleast_1d(ub).astype(np.float64)
|
| 182 |
+
|
| 183 |
+
if issparse(keep_feasible):
|
| 184 |
+
raise ValueError("`keep_feasible` must be a dense array.")
|
| 185 |
+
self.keep_feasible = np.atleast_1d(keep_feasible).astype(bool)
|
| 186 |
+
self._input_validation()
|
| 187 |
+
|
| 188 |
+
def residual(self, x):
|
| 189 |
+
"""
|
| 190 |
+
Calculate the residual between the constraint function and the limits
|
| 191 |
+
|
| 192 |
+
For a linear constraint of the form::
|
| 193 |
+
|
| 194 |
+
lb <= A@x <= ub
|
| 195 |
+
|
| 196 |
+
the lower and upper residuals between ``A@x`` and the limits are values
|
| 197 |
+
``sl`` and ``sb`` such that::
|
| 198 |
+
|
| 199 |
+
lb + sl == A@x == ub - sb
|
| 200 |
+
|
| 201 |
+
When all elements of ``sl`` and ``sb`` are positive, all elements of
|
| 202 |
+
the constraint are satisfied; a negative element in ``sl`` or ``sb``
|
| 203 |
+
indicates that the corresponding element of the constraint is not
|
| 204 |
+
satisfied.
|
| 205 |
+
|
| 206 |
+
Parameters
|
| 207 |
+
----------
|
| 208 |
+
x: array_like
|
| 209 |
+
Vector of independent variables
|
| 210 |
+
|
| 211 |
+
Returns
|
| 212 |
+
-------
|
| 213 |
+
sl, sb : array-like
|
| 214 |
+
The lower and upper residuals
|
| 215 |
+
"""
|
| 216 |
+
return self.A@x - self.lb, self.ub - self.A@x
|
| 217 |
+
|
| 218 |
+
|
| 219 |
+
class Bounds:
|
| 220 |
+
"""Bounds constraint on the variables.
|
| 221 |
+
|
| 222 |
+
The constraint has the general inequality form::
|
| 223 |
+
|
| 224 |
+
lb <= x <= ub
|
| 225 |
+
|
| 226 |
+
It is possible to use equal bounds to represent an equality constraint or
|
| 227 |
+
infinite bounds to represent a one-sided constraint.
|
| 228 |
+
|
| 229 |
+
Parameters
|
| 230 |
+
----------
|
| 231 |
+
lb, ub : dense array_like, optional
|
| 232 |
+
Lower and upper bounds on independent variables. `lb`, `ub`, and
|
| 233 |
+
`keep_feasible` must be the same shape or broadcastable.
|
| 234 |
+
Set components of `lb` and `ub` equal
|
| 235 |
+
to fix a variable. Use ``np.inf`` with an appropriate sign to disable
|
| 236 |
+
bounds on all or some variables. Note that you can mix constraints of
|
| 237 |
+
different types: interval, one-sided or equality, by setting different
|
| 238 |
+
components of `lb` and `ub` as necessary. Defaults to ``lb = -np.inf``
|
| 239 |
+
and ``ub = np.inf`` (no bounds).
|
| 240 |
+
keep_feasible : dense array_like of bool, optional
|
| 241 |
+
Whether to keep the constraint components feasible throughout
|
| 242 |
+
iterations. Must be broadcastable with `lb` and `ub`.
|
| 243 |
+
Default is False. Has no effect for equality constraints.
|
| 244 |
+
"""
|
| 245 |
+
def _input_validation(self):
|
| 246 |
+
try:
|
| 247 |
+
res = np.broadcast_arrays(self.lb, self.ub, self.keep_feasible)
|
| 248 |
+
self.lb, self.ub, self.keep_feasible = res
|
| 249 |
+
except ValueError:
|
| 250 |
+
message = "`lb`, `ub`, and `keep_feasible` must be broadcastable."
|
| 251 |
+
raise ValueError(message)
|
| 252 |
+
|
| 253 |
+
def __init__(self, lb=-np.inf, ub=np.inf, keep_feasible=False):
|
| 254 |
+
if issparse(lb) or issparse(ub):
|
| 255 |
+
raise ValueError("Lower and upper bounds must be dense arrays.")
|
| 256 |
+
self.lb = np.atleast_1d(lb)
|
| 257 |
+
self.ub = np.atleast_1d(ub)
|
| 258 |
+
|
| 259 |
+
if issparse(keep_feasible):
|
| 260 |
+
raise ValueError("`keep_feasible` must be a dense array.")
|
| 261 |
+
self.keep_feasible = np.atleast_1d(keep_feasible).astype(bool)
|
| 262 |
+
self._input_validation()
|
| 263 |
+
|
| 264 |
+
def __repr__(self):
|
| 265 |
+
start = f"{type(self).__name__}({self.lb!r}, {self.ub!r}"
|
| 266 |
+
if np.any(self.keep_feasible):
|
| 267 |
+
end = f", keep_feasible={self.keep_feasible!r})"
|
| 268 |
+
else:
|
| 269 |
+
end = ")"
|
| 270 |
+
return start + end
|
| 271 |
+
|
| 272 |
+
def residual(self, x):
|
| 273 |
+
"""Calculate the residual (slack) between the input and the bounds
|
| 274 |
+
|
| 275 |
+
For a bound constraint of the form::
|
| 276 |
+
|
| 277 |
+
lb <= x <= ub
|
| 278 |
+
|
| 279 |
+
the lower and upper residuals between `x` and the bounds are values
|
| 280 |
+
``sl`` and ``sb`` such that::
|
| 281 |
+
|
| 282 |
+
lb + sl == x == ub - sb
|
| 283 |
+
|
| 284 |
+
When all elements of ``sl`` and ``sb`` are positive, all elements of
|
| 285 |
+
``x`` lie within the bounds; a negative element in ``sl`` or ``sb``
|
| 286 |
+
indicates that the corresponding element of ``x`` is out of bounds.
|
| 287 |
+
|
| 288 |
+
Parameters
|
| 289 |
+
----------
|
| 290 |
+
x: array_like
|
| 291 |
+
Vector of independent variables
|
| 292 |
+
|
| 293 |
+
Returns
|
| 294 |
+
-------
|
| 295 |
+
sl, sb : array-like
|
| 296 |
+
The lower and upper residuals
|
| 297 |
+
"""
|
| 298 |
+
return x - self.lb, self.ub - x
|
| 299 |
+
|
| 300 |
+
|
| 301 |
+
class PreparedConstraint:
|
| 302 |
+
"""Constraint prepared from a user defined constraint.
|
| 303 |
+
|
| 304 |
+
On creation it will check whether a constraint definition is valid and
|
| 305 |
+
the initial point is feasible. If created successfully, it will contain
|
| 306 |
+
the attributes listed below.
|
| 307 |
+
|
| 308 |
+
Parameters
|
| 309 |
+
----------
|
| 310 |
+
constraint : {NonlinearConstraint, LinearConstraint`, Bounds}
|
| 311 |
+
Constraint to check and prepare.
|
| 312 |
+
x0 : array_like
|
| 313 |
+
Initial vector of independent variables.
|
| 314 |
+
sparse_jacobian : bool or None, optional
|
| 315 |
+
If bool, then the Jacobian of the constraint will be converted
|
| 316 |
+
to the corresponded format if necessary. If None (default), such
|
| 317 |
+
conversion is not made.
|
| 318 |
+
finite_diff_bounds : 2-tuple, optional
|
| 319 |
+
Lower and upper bounds on the independent variables for the finite
|
| 320 |
+
difference approximation, if applicable. Defaults to no bounds.
|
| 321 |
+
|
| 322 |
+
Attributes
|
| 323 |
+
----------
|
| 324 |
+
fun : {VectorFunction, LinearVectorFunction, IdentityVectorFunction}
|
| 325 |
+
Function defining the constraint wrapped by one of the convenience
|
| 326 |
+
classes.
|
| 327 |
+
bounds : 2-tuple
|
| 328 |
+
Contains lower and upper bounds for the constraints --- lb and ub.
|
| 329 |
+
These are converted to ndarray and have a size equal to the number of
|
| 330 |
+
the constraints.
|
| 331 |
+
keep_feasible : ndarray
|
| 332 |
+
Array indicating which components must be kept feasible with a size
|
| 333 |
+
equal to the number of the constraints.
|
| 334 |
+
"""
|
| 335 |
+
def __init__(self, constraint, x0, sparse_jacobian=None,
|
| 336 |
+
finite_diff_bounds=(-np.inf, np.inf)):
|
| 337 |
+
if isinstance(constraint, NonlinearConstraint):
|
| 338 |
+
fun = VectorFunction(constraint.fun, x0,
|
| 339 |
+
constraint.jac, constraint.hess,
|
| 340 |
+
constraint.finite_diff_rel_step,
|
| 341 |
+
constraint.finite_diff_jac_sparsity,
|
| 342 |
+
finite_diff_bounds, sparse_jacobian)
|
| 343 |
+
elif isinstance(constraint, LinearConstraint):
|
| 344 |
+
fun = LinearVectorFunction(constraint.A, x0, sparse_jacobian)
|
| 345 |
+
elif isinstance(constraint, Bounds):
|
| 346 |
+
fun = IdentityVectorFunction(x0, sparse_jacobian)
|
| 347 |
+
else:
|
| 348 |
+
raise ValueError("`constraint` of an unknown type is passed.")
|
| 349 |
+
|
| 350 |
+
m = fun.m
|
| 351 |
+
|
| 352 |
+
lb = np.asarray(constraint.lb, dtype=float)
|
| 353 |
+
ub = np.asarray(constraint.ub, dtype=float)
|
| 354 |
+
keep_feasible = np.asarray(constraint.keep_feasible, dtype=bool)
|
| 355 |
+
|
| 356 |
+
lb = np.broadcast_to(lb, m)
|
| 357 |
+
ub = np.broadcast_to(ub, m)
|
| 358 |
+
keep_feasible = np.broadcast_to(keep_feasible, m)
|
| 359 |
+
|
| 360 |
+
if keep_feasible.shape != (m,):
|
| 361 |
+
raise ValueError("`keep_feasible` has a wrong shape.")
|
| 362 |
+
|
| 363 |
+
mask = keep_feasible & (lb != ub)
|
| 364 |
+
f0 = fun.f
|
| 365 |
+
if np.any(f0[mask] < lb[mask]) or np.any(f0[mask] > ub[mask]):
|
| 366 |
+
raise ValueError("`x0` is infeasible with respect to some "
|
| 367 |
+
"inequality constraint with `keep_feasible` "
|
| 368 |
+
"set to True.")
|
| 369 |
+
|
| 370 |
+
self.fun = fun
|
| 371 |
+
self.bounds = (lb, ub)
|
| 372 |
+
self.keep_feasible = keep_feasible
|
| 373 |
+
|
| 374 |
+
def violation(self, x):
|
| 375 |
+
"""How much the constraint is exceeded by.
|
| 376 |
+
|
| 377 |
+
Parameters
|
| 378 |
+
----------
|
| 379 |
+
x : array-like
|
| 380 |
+
Vector of independent variables
|
| 381 |
+
|
| 382 |
+
Returns
|
| 383 |
+
-------
|
| 384 |
+
excess : array-like
|
| 385 |
+
How much the constraint is exceeded by, for each of the
|
| 386 |
+
constraints specified by `PreparedConstraint.fun`.
|
| 387 |
+
"""
|
| 388 |
+
with catch_warnings():
|
| 389 |
+
# Ignore the following warning, it's not important when
|
| 390 |
+
# figuring out total violation
|
| 391 |
+
# UserWarning: delta_grad == 0.0. Check if the approximated
|
| 392 |
+
# function is linear
|
| 393 |
+
filterwarnings("ignore", "delta_grad", UserWarning)
|
| 394 |
+
ev = self.fun.fun(np.asarray(x))
|
| 395 |
+
|
| 396 |
+
excess_lb = np.maximum(self.bounds[0] - ev, 0)
|
| 397 |
+
excess_ub = np.maximum(ev - self.bounds[1], 0)
|
| 398 |
+
|
| 399 |
+
return excess_lb + excess_ub
|
| 400 |
+
|
| 401 |
+
|
| 402 |
+
def new_bounds_to_old(lb, ub, n):
|
| 403 |
+
"""Convert the new bounds representation to the old one.
|
| 404 |
+
|
| 405 |
+
The new representation is a tuple (lb, ub) and the old one is a list
|
| 406 |
+
containing n tuples, ith containing lower and upper bound on a ith
|
| 407 |
+
variable.
|
| 408 |
+
If any of the entries in lb/ub are -np.inf/np.inf they are replaced by
|
| 409 |
+
None.
|
| 410 |
+
"""
|
| 411 |
+
lb = np.broadcast_to(lb, n)
|
| 412 |
+
ub = np.broadcast_to(ub, n)
|
| 413 |
+
|
| 414 |
+
lb = [float(x) if x > -np.inf else None for x in lb]
|
| 415 |
+
ub = [float(x) if x < np.inf else None for x in ub]
|
| 416 |
+
|
| 417 |
+
return list(zip(lb, ub))
|
| 418 |
+
|
| 419 |
+
|
| 420 |
+
def old_bound_to_new(bounds):
|
| 421 |
+
"""Convert the old bounds representation to the new one.
|
| 422 |
+
|
| 423 |
+
The new representation is a tuple (lb, ub) and the old one is a list
|
| 424 |
+
containing n tuples, ith containing lower and upper bound on a ith
|
| 425 |
+
variable.
|
| 426 |
+
If any of the entries in lb/ub are None they are replaced by
|
| 427 |
+
-np.inf/np.inf.
|
| 428 |
+
"""
|
| 429 |
+
lb, ub = zip(*bounds)
|
| 430 |
+
|
| 431 |
+
# Convert occurrences of None to -inf or inf, and replace occurrences of
|
| 432 |
+
# any numpy array x with x.item(). Then wrap the results in numpy arrays.
|
| 433 |
+
lb = np.array([float(_arr_to_scalar(x)) if x is not None else -np.inf
|
| 434 |
+
for x in lb])
|
| 435 |
+
ub = np.array([float(_arr_to_scalar(x)) if x is not None else np.inf
|
| 436 |
+
for x in ub])
|
| 437 |
+
|
| 438 |
+
return lb, ub
|
| 439 |
+
|
| 440 |
+
|
| 441 |
+
def strict_bounds(lb, ub, keep_feasible, n_vars):
|
| 442 |
+
"""Remove bounds which are not asked to be kept feasible."""
|
| 443 |
+
strict_lb = np.resize(lb, n_vars).astype(float)
|
| 444 |
+
strict_ub = np.resize(ub, n_vars).astype(float)
|
| 445 |
+
keep_feasible = np.resize(keep_feasible, n_vars)
|
| 446 |
+
strict_lb[~keep_feasible] = -np.inf
|
| 447 |
+
strict_ub[~keep_feasible] = np.inf
|
| 448 |
+
return strict_lb, strict_ub
|
| 449 |
+
|
| 450 |
+
|
| 451 |
+
def new_constraint_to_old(con, x0):
|
| 452 |
+
"""
|
| 453 |
+
Converts new-style constraint objects to old-style constraint dictionaries.
|
| 454 |
+
"""
|
| 455 |
+
if isinstance(con, NonlinearConstraint):
|
| 456 |
+
if (con.finite_diff_jac_sparsity is not None or
|
| 457 |
+
con.finite_diff_rel_step is not None or
|
| 458 |
+
not isinstance(con.hess, BFGS) or # misses user specified BFGS
|
| 459 |
+
con.keep_feasible):
|
| 460 |
+
warn("Constraint options `finite_diff_jac_sparsity`, "
|
| 461 |
+
"`finite_diff_rel_step`, `keep_feasible`, and `hess`"
|
| 462 |
+
"are ignored by this method.",
|
| 463 |
+
OptimizeWarning, stacklevel=3)
|
| 464 |
+
|
| 465 |
+
fun = con.fun
|
| 466 |
+
if callable(con.jac):
|
| 467 |
+
jac = con.jac
|
| 468 |
+
else:
|
| 469 |
+
jac = None
|
| 470 |
+
|
| 471 |
+
else: # LinearConstraint
|
| 472 |
+
if np.any(con.keep_feasible):
|
| 473 |
+
warn("Constraint option `keep_feasible` is ignored by this method.",
|
| 474 |
+
OptimizeWarning, stacklevel=3)
|
| 475 |
+
|
| 476 |
+
A = con.A
|
| 477 |
+
if issparse(A):
|
| 478 |
+
A = A.toarray()
|
| 479 |
+
def fun(x):
|
| 480 |
+
return np.dot(A, x)
|
| 481 |
+
def jac(x):
|
| 482 |
+
return A
|
| 483 |
+
|
| 484 |
+
# FIXME: when bugs in VectorFunction/LinearVectorFunction are worked out,
|
| 485 |
+
# use pcon.fun.fun and pcon.fun.jac. Until then, get fun/jac above.
|
| 486 |
+
pcon = PreparedConstraint(con, x0)
|
| 487 |
+
lb, ub = pcon.bounds
|
| 488 |
+
|
| 489 |
+
i_eq = lb == ub
|
| 490 |
+
i_bound_below = np.logical_xor(lb != -np.inf, i_eq)
|
| 491 |
+
i_bound_above = np.logical_xor(ub != np.inf, i_eq)
|
| 492 |
+
i_unbounded = np.logical_and(lb == -np.inf, ub == np.inf)
|
| 493 |
+
|
| 494 |
+
if np.any(i_unbounded):
|
| 495 |
+
warn("At least one constraint is unbounded above and below. Such "
|
| 496 |
+
"constraints are ignored.",
|
| 497 |
+
OptimizeWarning, stacklevel=3)
|
| 498 |
+
|
| 499 |
+
ceq = []
|
| 500 |
+
if np.any(i_eq):
|
| 501 |
+
def f_eq(x):
|
| 502 |
+
y = np.array(fun(x)).flatten()
|
| 503 |
+
return y[i_eq] - lb[i_eq]
|
| 504 |
+
ceq = [{"type": "eq", "fun": f_eq}]
|
| 505 |
+
|
| 506 |
+
if jac is not None:
|
| 507 |
+
def j_eq(x):
|
| 508 |
+
dy = jac(x)
|
| 509 |
+
if issparse(dy):
|
| 510 |
+
dy = dy.toarray()
|
| 511 |
+
dy = np.atleast_2d(dy)
|
| 512 |
+
return dy[i_eq, :]
|
| 513 |
+
ceq[0]["jac"] = j_eq
|
| 514 |
+
|
| 515 |
+
cineq = []
|
| 516 |
+
n_bound_below = np.sum(i_bound_below)
|
| 517 |
+
n_bound_above = np.sum(i_bound_above)
|
| 518 |
+
if n_bound_below + n_bound_above:
|
| 519 |
+
def f_ineq(x):
|
| 520 |
+
y = np.zeros(n_bound_below + n_bound_above)
|
| 521 |
+
y_all = np.array(fun(x)).flatten()
|
| 522 |
+
y[:n_bound_below] = y_all[i_bound_below] - lb[i_bound_below]
|
| 523 |
+
y[n_bound_below:] = -(y_all[i_bound_above] - ub[i_bound_above])
|
| 524 |
+
return y
|
| 525 |
+
cineq = [{"type": "ineq", "fun": f_ineq}]
|
| 526 |
+
|
| 527 |
+
if jac is not None:
|
| 528 |
+
def j_ineq(x):
|
| 529 |
+
dy = np.zeros((n_bound_below + n_bound_above, len(x0)))
|
| 530 |
+
dy_all = jac(x)
|
| 531 |
+
if issparse(dy_all):
|
| 532 |
+
dy_all = dy_all.toarray()
|
| 533 |
+
dy_all = np.atleast_2d(dy_all)
|
| 534 |
+
dy[:n_bound_below, :] = dy_all[i_bound_below]
|
| 535 |
+
dy[n_bound_below:, :] = -dy_all[i_bound_above]
|
| 536 |
+
return dy
|
| 537 |
+
cineq[0]["jac"] = j_ineq
|
| 538 |
+
|
| 539 |
+
old_constraints = ceq + cineq
|
| 540 |
+
|
| 541 |
+
if len(old_constraints) > 1:
|
| 542 |
+
warn("Equality and inequality constraints are specified in the same "
|
| 543 |
+
"element of the constraint list. For efficient use with this "
|
| 544 |
+
"method, equality and inequality constraints should be specified "
|
| 545 |
+
"in separate elements of the constraint list. ",
|
| 546 |
+
OptimizeWarning, stacklevel=3)
|
| 547 |
+
return old_constraints
|
| 548 |
+
|
| 549 |
+
|
| 550 |
+
def old_constraint_to_new(ic, con):
|
| 551 |
+
"""
|
| 552 |
+
Converts old-style constraint dictionaries to new-style constraint objects.
|
| 553 |
+
"""
|
| 554 |
+
# check type
|
| 555 |
+
try:
|
| 556 |
+
ctype = con['type'].lower()
|
| 557 |
+
except KeyError as e:
|
| 558 |
+
raise KeyError('Constraint %d has no type defined.' % ic) from e
|
| 559 |
+
except TypeError as e:
|
| 560 |
+
raise TypeError(
|
| 561 |
+
'Constraints must be a sequence of dictionaries.'
|
| 562 |
+
) from e
|
| 563 |
+
except AttributeError as e:
|
| 564 |
+
raise TypeError("Constraint's type must be a string.") from e
|
| 565 |
+
else:
|
| 566 |
+
if ctype not in ['eq', 'ineq']:
|
| 567 |
+
raise ValueError("Unknown constraint type '%s'." % con['type'])
|
| 568 |
+
if 'fun' not in con:
|
| 569 |
+
raise ValueError('Constraint %d has no function defined.' % ic)
|
| 570 |
+
|
| 571 |
+
lb = 0
|
| 572 |
+
if ctype == 'eq':
|
| 573 |
+
ub = 0
|
| 574 |
+
else:
|
| 575 |
+
ub = np.inf
|
| 576 |
+
|
| 577 |
+
jac = '2-point'
|
| 578 |
+
if 'args' in con:
|
| 579 |
+
args = con['args']
|
| 580 |
+
def fun(x):
|
| 581 |
+
return con["fun"](x, *args)
|
| 582 |
+
if 'jac' in con:
|
| 583 |
+
def jac(x):
|
| 584 |
+
return con["jac"](x, *args)
|
| 585 |
+
else:
|
| 586 |
+
fun = con['fun']
|
| 587 |
+
if 'jac' in con:
|
| 588 |
+
jac = con['jac']
|
| 589 |
+
|
| 590 |
+
return NonlinearConstraint(fun, lb, ub, jac)
|
vila/lib/python3.10/site-packages/scipy/optimize/_dcsrch.py
ADDED
|
@@ -0,0 +1,728 @@
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|
| 1 |
+
import numpy as np
|
| 2 |
+
|
| 3 |
+
"""
|
| 4 |
+
# 2023 - ported from minpack2.dcsrch, dcstep (Fortran) to Python
|
| 5 |
+
c MINPACK-1 Project. June 1983.
|
| 6 |
+
c Argonne National Laboratory.
|
| 7 |
+
c Jorge J. More' and David J. Thuente.
|
| 8 |
+
c
|
| 9 |
+
c MINPACK-2 Project. November 1993.
|
| 10 |
+
c Argonne National Laboratory and University of Minnesota.
|
| 11 |
+
c Brett M. Averick, Richard G. Carter, and Jorge J. More'.
|
| 12 |
+
"""
|
| 13 |
+
|
| 14 |
+
# NOTE this file was linted by black on first commit, and can be kept that way.
|
| 15 |
+
|
| 16 |
+
|
| 17 |
+
class DCSRCH:
|
| 18 |
+
"""
|
| 19 |
+
Parameters
|
| 20 |
+
----------
|
| 21 |
+
phi : callable phi(alpha)
|
| 22 |
+
Function at point `alpha`
|
| 23 |
+
derphi : callable phi'(alpha)
|
| 24 |
+
Objective function derivative. Returns a scalar.
|
| 25 |
+
ftol : float
|
| 26 |
+
A nonnegative tolerance for the sufficient decrease condition.
|
| 27 |
+
gtol : float
|
| 28 |
+
A nonnegative tolerance for the curvature condition.
|
| 29 |
+
xtol : float
|
| 30 |
+
A nonnegative relative tolerance for an acceptable step. The
|
| 31 |
+
subroutine exits with a warning if the relative difference between
|
| 32 |
+
sty and stx is less than xtol.
|
| 33 |
+
stpmin : float
|
| 34 |
+
A nonnegative lower bound for the step.
|
| 35 |
+
stpmax :
|
| 36 |
+
A nonnegative upper bound for the step.
|
| 37 |
+
|
| 38 |
+
Notes
|
| 39 |
+
-----
|
| 40 |
+
|
| 41 |
+
This subroutine finds a step that satisfies a sufficient
|
| 42 |
+
decrease condition and a curvature condition.
|
| 43 |
+
|
| 44 |
+
Each call of the subroutine updates an interval with
|
| 45 |
+
endpoints stx and sty. The interval is initially chosen
|
| 46 |
+
so that it contains a minimizer of the modified function
|
| 47 |
+
|
| 48 |
+
psi(stp) = f(stp) - f(0) - ftol*stp*f'(0).
|
| 49 |
+
|
| 50 |
+
If psi(stp) <= 0 and f'(stp) >= 0 for some step, then the
|
| 51 |
+
interval is chosen so that it contains a minimizer of f.
|
| 52 |
+
|
| 53 |
+
The algorithm is designed to find a step that satisfies
|
| 54 |
+
the sufficient decrease condition
|
| 55 |
+
|
| 56 |
+
f(stp) <= f(0) + ftol*stp*f'(0),
|
| 57 |
+
|
| 58 |
+
and the curvature condition
|
| 59 |
+
|
| 60 |
+
abs(f'(stp)) <= gtol*abs(f'(0)).
|
| 61 |
+
|
| 62 |
+
If ftol is less than gtol and if, for example, the function
|
| 63 |
+
is bounded below, then there is always a step which satisfies
|
| 64 |
+
both conditions.
|
| 65 |
+
|
| 66 |
+
If no step can be found that satisfies both conditions, then
|
| 67 |
+
the algorithm stops with a warning. In this case stp only
|
| 68 |
+
satisfies the sufficient decrease condition.
|
| 69 |
+
|
| 70 |
+
A typical invocation of dcsrch has the following outline:
|
| 71 |
+
|
| 72 |
+
Evaluate the function at stp = 0.0d0; store in f.
|
| 73 |
+
Evaluate the gradient at stp = 0.0d0; store in g.
|
| 74 |
+
Choose a starting step stp.
|
| 75 |
+
|
| 76 |
+
task = 'START'
|
| 77 |
+
10 continue
|
| 78 |
+
call dcsrch(stp,f,g,ftol,gtol,xtol,task,stpmin,stpmax,
|
| 79 |
+
isave,dsave)
|
| 80 |
+
if (task .eq. 'FG') then
|
| 81 |
+
Evaluate the function and the gradient at stp
|
| 82 |
+
go to 10
|
| 83 |
+
end if
|
| 84 |
+
|
| 85 |
+
NOTE: The user must not alter work arrays between calls.
|
| 86 |
+
|
| 87 |
+
The subroutine statement is
|
| 88 |
+
|
| 89 |
+
subroutine dcsrch(f,g,stp,ftol,gtol,xtol,stpmin,stpmax,
|
| 90 |
+
task,isave,dsave)
|
| 91 |
+
where
|
| 92 |
+
|
| 93 |
+
stp is a double precision variable.
|
| 94 |
+
On entry stp is the current estimate of a satisfactory
|
| 95 |
+
step. On initial entry, a positive initial estimate
|
| 96 |
+
must be provided.
|
| 97 |
+
On exit stp is the current estimate of a satisfactory step
|
| 98 |
+
if task = 'FG'. If task = 'CONV' then stp satisfies
|
| 99 |
+
the sufficient decrease and curvature condition.
|
| 100 |
+
|
| 101 |
+
f is a double precision variable.
|
| 102 |
+
On initial entry f is the value of the function at 0.
|
| 103 |
+
On subsequent entries f is the value of the
|
| 104 |
+
function at stp.
|
| 105 |
+
On exit f is the value of the function at stp.
|
| 106 |
+
|
| 107 |
+
g is a double precision variable.
|
| 108 |
+
On initial entry g is the derivative of the function at 0.
|
| 109 |
+
On subsequent entries g is the derivative of the
|
| 110 |
+
function at stp.
|
| 111 |
+
On exit g is the derivative of the function at stp.
|
| 112 |
+
|
| 113 |
+
ftol is a double precision variable.
|
| 114 |
+
On entry ftol specifies a nonnegative tolerance for the
|
| 115 |
+
sufficient decrease condition.
|
| 116 |
+
On exit ftol is unchanged.
|
| 117 |
+
|
| 118 |
+
gtol is a double precision variable.
|
| 119 |
+
On entry gtol specifies a nonnegative tolerance for the
|
| 120 |
+
curvature condition.
|
| 121 |
+
On exit gtol is unchanged.
|
| 122 |
+
|
| 123 |
+
xtol is a double precision variable.
|
| 124 |
+
On entry xtol specifies a nonnegative relative tolerance
|
| 125 |
+
for an acceptable step. The subroutine exits with a
|
| 126 |
+
warning if the relative difference between sty and stx
|
| 127 |
+
is less than xtol.
|
| 128 |
+
|
| 129 |
+
On exit xtol is unchanged.
|
| 130 |
+
|
| 131 |
+
task is a character variable of length at least 60.
|
| 132 |
+
On initial entry task must be set to 'START'.
|
| 133 |
+
On exit task indicates the required action:
|
| 134 |
+
|
| 135 |
+
If task(1:2) = 'FG' then evaluate the function and
|
| 136 |
+
derivative at stp and call dcsrch again.
|
| 137 |
+
|
| 138 |
+
If task(1:4) = 'CONV' then the search is successful.
|
| 139 |
+
|
| 140 |
+
If task(1:4) = 'WARN' then the subroutine is not able
|
| 141 |
+
to satisfy the convergence conditions. The exit value of
|
| 142 |
+
stp contains the best point found during the search.
|
| 143 |
+
|
| 144 |
+
If task(1:5) = 'ERROR' then there is an error in the
|
| 145 |
+
input arguments.
|
| 146 |
+
|
| 147 |
+
On exit with convergence, a warning or an error, the
|
| 148 |
+
variable task contains additional information.
|
| 149 |
+
|
| 150 |
+
stpmin is a double precision variable.
|
| 151 |
+
On entry stpmin is a nonnegative lower bound for the step.
|
| 152 |
+
On exit stpmin is unchanged.
|
| 153 |
+
|
| 154 |
+
stpmax is a double precision variable.
|
| 155 |
+
On entry stpmax is a nonnegative upper bound for the step.
|
| 156 |
+
On exit stpmax is unchanged.
|
| 157 |
+
|
| 158 |
+
isave is an integer work array of dimension 2.
|
| 159 |
+
|
| 160 |
+
dsave is a double precision work array of dimension 13.
|
| 161 |
+
|
| 162 |
+
Subprograms called
|
| 163 |
+
|
| 164 |
+
MINPACK-2 ... dcstep
|
| 165 |
+
MINPACK-1 Project. June 1983.
|
| 166 |
+
Argonne National Laboratory.
|
| 167 |
+
Jorge J. More' and David J. Thuente.
|
| 168 |
+
|
| 169 |
+
MINPACK-2 Project. November 1993.
|
| 170 |
+
Argonne National Laboratory and University of Minnesota.
|
| 171 |
+
Brett M. Averick, Richard G. Carter, and Jorge J. More'.
|
| 172 |
+
"""
|
| 173 |
+
|
| 174 |
+
def __init__(self, phi, derphi, ftol, gtol, xtol, stpmin, stpmax):
|
| 175 |
+
self.stage = None
|
| 176 |
+
self.ginit = None
|
| 177 |
+
self.gtest = None
|
| 178 |
+
self.gx = None
|
| 179 |
+
self.gy = None
|
| 180 |
+
self.finit = None
|
| 181 |
+
self.fx = None
|
| 182 |
+
self.fy = None
|
| 183 |
+
self.stx = None
|
| 184 |
+
self.sty = None
|
| 185 |
+
self.stmin = None
|
| 186 |
+
self.stmax = None
|
| 187 |
+
self.width = None
|
| 188 |
+
self.width1 = None
|
| 189 |
+
|
| 190 |
+
# leave all assessment of tolerances/limits to the first call of
|
| 191 |
+
# this object
|
| 192 |
+
self.ftol = ftol
|
| 193 |
+
self.gtol = gtol
|
| 194 |
+
self.xtol = xtol
|
| 195 |
+
self.stpmin = stpmin
|
| 196 |
+
self.stpmax = stpmax
|
| 197 |
+
|
| 198 |
+
self.phi = phi
|
| 199 |
+
self.derphi = derphi
|
| 200 |
+
|
| 201 |
+
def __call__(self, alpha1, phi0=None, derphi0=None, maxiter=100):
|
| 202 |
+
"""
|
| 203 |
+
Parameters
|
| 204 |
+
----------
|
| 205 |
+
alpha1 : float
|
| 206 |
+
alpha1 is the current estimate of a satisfactory
|
| 207 |
+
step. A positive initial estimate must be provided.
|
| 208 |
+
phi0 : float
|
| 209 |
+
the value of `phi` at 0 (if known).
|
| 210 |
+
derphi0 : float
|
| 211 |
+
the derivative of `derphi` at 0 (if known).
|
| 212 |
+
maxiter : int
|
| 213 |
+
|
| 214 |
+
Returns
|
| 215 |
+
-------
|
| 216 |
+
alpha : float
|
| 217 |
+
Step size, or None if no suitable step was found.
|
| 218 |
+
phi : float
|
| 219 |
+
Value of `phi` at the new point `alpha`.
|
| 220 |
+
phi0 : float
|
| 221 |
+
Value of `phi` at `alpha=0`.
|
| 222 |
+
task : bytes
|
| 223 |
+
On exit task indicates status information.
|
| 224 |
+
|
| 225 |
+
If task[:4] == b'CONV' then the search is successful.
|
| 226 |
+
|
| 227 |
+
If task[:4] == b'WARN' then the subroutine is not able
|
| 228 |
+
to satisfy the convergence conditions. The exit value of
|
| 229 |
+
stp contains the best point found during the search.
|
| 230 |
+
|
| 231 |
+
If task[:5] == b'ERROR' then there is an error in the
|
| 232 |
+
input arguments.
|
| 233 |
+
"""
|
| 234 |
+
if phi0 is None:
|
| 235 |
+
phi0 = self.phi(0.0)
|
| 236 |
+
if derphi0 is None:
|
| 237 |
+
derphi0 = self.derphi(0.0)
|
| 238 |
+
|
| 239 |
+
phi1 = phi0
|
| 240 |
+
derphi1 = derphi0
|
| 241 |
+
|
| 242 |
+
task = b"START"
|
| 243 |
+
for i in range(maxiter):
|
| 244 |
+
stp, phi1, derphi1, task = self._iterate(
|
| 245 |
+
alpha1, phi1, derphi1, task
|
| 246 |
+
)
|
| 247 |
+
|
| 248 |
+
if not np.isfinite(stp):
|
| 249 |
+
task = b"WARN"
|
| 250 |
+
stp = None
|
| 251 |
+
break
|
| 252 |
+
|
| 253 |
+
if task[:2] == b"FG":
|
| 254 |
+
alpha1 = stp
|
| 255 |
+
phi1 = self.phi(stp)
|
| 256 |
+
derphi1 = self.derphi(stp)
|
| 257 |
+
else:
|
| 258 |
+
break
|
| 259 |
+
else:
|
| 260 |
+
# maxiter reached, the line search did not converge
|
| 261 |
+
stp = None
|
| 262 |
+
task = b"WARNING: dcsrch did not converge within max iterations"
|
| 263 |
+
|
| 264 |
+
if task[:5] == b"ERROR" or task[:4] == b"WARN":
|
| 265 |
+
stp = None # failed
|
| 266 |
+
|
| 267 |
+
return stp, phi1, phi0, task
|
| 268 |
+
|
| 269 |
+
def _iterate(self, stp, f, g, task):
|
| 270 |
+
"""
|
| 271 |
+
Parameters
|
| 272 |
+
----------
|
| 273 |
+
stp : float
|
| 274 |
+
The current estimate of a satisfactory step. On initial entry, a
|
| 275 |
+
positive initial estimate must be provided.
|
| 276 |
+
f : float
|
| 277 |
+
On first call f is the value of the function at 0. On subsequent
|
| 278 |
+
entries f should be the value of the function at stp.
|
| 279 |
+
g : float
|
| 280 |
+
On initial entry g is the derivative of the function at 0. On
|
| 281 |
+
subsequent entries g is the derivative of the function at stp.
|
| 282 |
+
task : bytes
|
| 283 |
+
On initial entry task must be set to 'START'.
|
| 284 |
+
|
| 285 |
+
On exit with convergence, a warning or an error, the
|
| 286 |
+
variable task contains additional information.
|
| 287 |
+
|
| 288 |
+
|
| 289 |
+
Returns
|
| 290 |
+
-------
|
| 291 |
+
stp, f, g, task: tuple
|
| 292 |
+
|
| 293 |
+
stp : float
|
| 294 |
+
the current estimate of a satisfactory step if task = 'FG'. If
|
| 295 |
+
task = 'CONV' then stp satisfies the sufficient decrease and
|
| 296 |
+
curvature condition.
|
| 297 |
+
f : float
|
| 298 |
+
the value of the function at stp.
|
| 299 |
+
g : float
|
| 300 |
+
the derivative of the function at stp.
|
| 301 |
+
task : bytes
|
| 302 |
+
On exit task indicates the required action:
|
| 303 |
+
|
| 304 |
+
If task(1:2) == b'FG' then evaluate the function and
|
| 305 |
+
derivative at stp and call dcsrch again.
|
| 306 |
+
|
| 307 |
+
If task(1:4) == b'CONV' then the search is successful.
|
| 308 |
+
|
| 309 |
+
If task(1:4) == b'WARN' then the subroutine is not able
|
| 310 |
+
to satisfy the convergence conditions. The exit value of
|
| 311 |
+
stp contains the best point found during the search.
|
| 312 |
+
|
| 313 |
+
If task(1:5) == b'ERROR' then there is an error in the
|
| 314 |
+
input arguments.
|
| 315 |
+
"""
|
| 316 |
+
p5 = 0.5
|
| 317 |
+
p66 = 0.66
|
| 318 |
+
xtrapl = 1.1
|
| 319 |
+
xtrapu = 4.0
|
| 320 |
+
|
| 321 |
+
if task[:5] == b"START":
|
| 322 |
+
if stp < self.stpmin:
|
| 323 |
+
task = b"ERROR: STP .LT. STPMIN"
|
| 324 |
+
if stp > self.stpmax:
|
| 325 |
+
task = b"ERROR: STP .GT. STPMAX"
|
| 326 |
+
if g >= 0:
|
| 327 |
+
task = b"ERROR: INITIAL G .GE. ZERO"
|
| 328 |
+
if self.ftol < 0:
|
| 329 |
+
task = b"ERROR: FTOL .LT. ZERO"
|
| 330 |
+
if self.gtol < 0:
|
| 331 |
+
task = b"ERROR: GTOL .LT. ZERO"
|
| 332 |
+
if self.xtol < 0:
|
| 333 |
+
task = b"ERROR: XTOL .LT. ZERO"
|
| 334 |
+
if self.stpmin < 0:
|
| 335 |
+
task = b"ERROR: STPMIN .LT. ZERO"
|
| 336 |
+
if self.stpmax < self.stpmin:
|
| 337 |
+
task = b"ERROR: STPMAX .LT. STPMIN"
|
| 338 |
+
|
| 339 |
+
if task[:5] == b"ERROR":
|
| 340 |
+
return stp, f, g, task
|
| 341 |
+
|
| 342 |
+
# Initialize local variables.
|
| 343 |
+
|
| 344 |
+
self.brackt = False
|
| 345 |
+
self.stage = 1
|
| 346 |
+
self.finit = f
|
| 347 |
+
self.ginit = g
|
| 348 |
+
self.gtest = self.ftol * self.ginit
|
| 349 |
+
self.width = self.stpmax - self.stpmin
|
| 350 |
+
self.width1 = self.width / p5
|
| 351 |
+
|
| 352 |
+
# The variables stx, fx, gx contain the values of the step,
|
| 353 |
+
# function, and derivative at the best step.
|
| 354 |
+
# The variables sty, fy, gy contain the value of the step,
|
| 355 |
+
# function, and derivative at sty.
|
| 356 |
+
# The variables stp, f, g contain the values of the step,
|
| 357 |
+
# function, and derivative at stp.
|
| 358 |
+
|
| 359 |
+
self.stx = 0.0
|
| 360 |
+
self.fx = self.finit
|
| 361 |
+
self.gx = self.ginit
|
| 362 |
+
self.sty = 0.0
|
| 363 |
+
self.fy = self.finit
|
| 364 |
+
self.gy = self.ginit
|
| 365 |
+
self.stmin = 0
|
| 366 |
+
self.stmax = stp + xtrapu * stp
|
| 367 |
+
task = b"FG"
|
| 368 |
+
return stp, f, g, task
|
| 369 |
+
|
| 370 |
+
# in the original Fortran this was a location to restore variables
|
| 371 |
+
# we don't need to do that because they're attributes.
|
| 372 |
+
|
| 373 |
+
# If psi(stp) <= 0 and f'(stp) >= 0 for some step, then the
|
| 374 |
+
# algorithm enters the second stage.
|
| 375 |
+
ftest = self.finit + stp * self.gtest
|
| 376 |
+
|
| 377 |
+
if self.stage == 1 and f <= ftest and g >= 0:
|
| 378 |
+
self.stage = 2
|
| 379 |
+
|
| 380 |
+
# test for warnings
|
| 381 |
+
if self.brackt and (stp <= self.stmin or stp >= self.stmax):
|
| 382 |
+
task = b"WARNING: ROUNDING ERRORS PREVENT PROGRESS"
|
| 383 |
+
if self.brackt and self.stmax - self.stmin <= self.xtol * self.stmax:
|
| 384 |
+
task = b"WARNING: XTOL TEST SATISFIED"
|
| 385 |
+
if stp == self.stpmax and f <= ftest and g <= self.gtest:
|
| 386 |
+
task = b"WARNING: STP = STPMAX"
|
| 387 |
+
if stp == self.stpmin and (f > ftest or g >= self.gtest):
|
| 388 |
+
task = b"WARNING: STP = STPMIN"
|
| 389 |
+
|
| 390 |
+
# test for convergence
|
| 391 |
+
if f <= ftest and abs(g) <= self.gtol * -self.ginit:
|
| 392 |
+
task = b"CONVERGENCE"
|
| 393 |
+
|
| 394 |
+
# test for termination
|
| 395 |
+
if task[:4] == b"WARN" or task[:4] == b"CONV":
|
| 396 |
+
return stp, f, g, task
|
| 397 |
+
|
| 398 |
+
# A modified function is used to predict the step during the
|
| 399 |
+
# first stage if a lower function value has been obtained but
|
| 400 |
+
# the decrease is not sufficient.
|
| 401 |
+
if self.stage == 1 and f <= self.fx and f > ftest:
|
| 402 |
+
# Define the modified function and derivative values.
|
| 403 |
+
fm = f - stp * self.gtest
|
| 404 |
+
fxm = self.fx - self.stx * self.gtest
|
| 405 |
+
fym = self.fy - self.sty * self.gtest
|
| 406 |
+
gm = g - self.gtest
|
| 407 |
+
gxm = self.gx - self.gtest
|
| 408 |
+
gym = self.gy - self.gtest
|
| 409 |
+
|
| 410 |
+
# Call dcstep to update stx, sty, and to compute the new step.
|
| 411 |
+
# dcstep can have several operations which can produce NaN
|
| 412 |
+
# e.g. inf/inf. Filter these out.
|
| 413 |
+
with np.errstate(invalid="ignore", over="ignore"):
|
| 414 |
+
tup = dcstep(
|
| 415 |
+
self.stx,
|
| 416 |
+
fxm,
|
| 417 |
+
gxm,
|
| 418 |
+
self.sty,
|
| 419 |
+
fym,
|
| 420 |
+
gym,
|
| 421 |
+
stp,
|
| 422 |
+
fm,
|
| 423 |
+
gm,
|
| 424 |
+
self.brackt,
|
| 425 |
+
self.stmin,
|
| 426 |
+
self.stmax,
|
| 427 |
+
)
|
| 428 |
+
self.stx, fxm, gxm, self.sty, fym, gym, stp, self.brackt = tup
|
| 429 |
+
|
| 430 |
+
# Reset the function and derivative values for f
|
| 431 |
+
self.fx = fxm + self.stx * self.gtest
|
| 432 |
+
self.fy = fym + self.sty * self.gtest
|
| 433 |
+
self.gx = gxm + self.gtest
|
| 434 |
+
self.gy = gym + self.gtest
|
| 435 |
+
|
| 436 |
+
else:
|
| 437 |
+
# Call dcstep to update stx, sty, and to compute the new step.
|
| 438 |
+
# dcstep can have several operations which can produce NaN
|
| 439 |
+
# e.g. inf/inf. Filter these out.
|
| 440 |
+
|
| 441 |
+
with np.errstate(invalid="ignore", over="ignore"):
|
| 442 |
+
tup = dcstep(
|
| 443 |
+
self.stx,
|
| 444 |
+
self.fx,
|
| 445 |
+
self.gx,
|
| 446 |
+
self.sty,
|
| 447 |
+
self.fy,
|
| 448 |
+
self.gy,
|
| 449 |
+
stp,
|
| 450 |
+
f,
|
| 451 |
+
g,
|
| 452 |
+
self.brackt,
|
| 453 |
+
self.stmin,
|
| 454 |
+
self.stmax,
|
| 455 |
+
)
|
| 456 |
+
(
|
| 457 |
+
self.stx,
|
| 458 |
+
self.fx,
|
| 459 |
+
self.gx,
|
| 460 |
+
self.sty,
|
| 461 |
+
self.fy,
|
| 462 |
+
self.gy,
|
| 463 |
+
stp,
|
| 464 |
+
self.brackt,
|
| 465 |
+
) = tup
|
| 466 |
+
|
| 467 |
+
# Decide if a bisection step is needed
|
| 468 |
+
if self.brackt:
|
| 469 |
+
if abs(self.sty - self.stx) >= p66 * self.width1:
|
| 470 |
+
stp = self.stx + p5 * (self.sty - self.stx)
|
| 471 |
+
self.width1 = self.width
|
| 472 |
+
self.width = abs(self.sty - self.stx)
|
| 473 |
+
|
| 474 |
+
# Set the minimum and maximum steps allowed for stp.
|
| 475 |
+
if self.brackt:
|
| 476 |
+
self.stmin = min(self.stx, self.sty)
|
| 477 |
+
self.stmax = max(self.stx, self.sty)
|
| 478 |
+
else:
|
| 479 |
+
self.stmin = stp + xtrapl * (stp - self.stx)
|
| 480 |
+
self.stmax = stp + xtrapu * (stp - self.stx)
|
| 481 |
+
|
| 482 |
+
# Force the step to be within the bounds stpmax and stpmin.
|
| 483 |
+
stp = np.clip(stp, self.stpmin, self.stpmax)
|
| 484 |
+
|
| 485 |
+
# If further progress is not possible, let stp be the best
|
| 486 |
+
# point obtained during the search.
|
| 487 |
+
if (
|
| 488 |
+
self.brackt
|
| 489 |
+
and (stp <= self.stmin or stp >= self.stmax)
|
| 490 |
+
or (
|
| 491 |
+
self.brackt
|
| 492 |
+
and self.stmax - self.stmin <= self.xtol * self.stmax
|
| 493 |
+
)
|
| 494 |
+
):
|
| 495 |
+
stp = self.stx
|
| 496 |
+
|
| 497 |
+
# Obtain another function and derivative
|
| 498 |
+
task = b"FG"
|
| 499 |
+
return stp, f, g, task
|
| 500 |
+
|
| 501 |
+
|
| 502 |
+
def dcstep(stx, fx, dx, sty, fy, dy, stp, fp, dp, brackt, stpmin, stpmax):
|
| 503 |
+
"""
|
| 504 |
+
Subroutine dcstep
|
| 505 |
+
|
| 506 |
+
This subroutine computes a safeguarded step for a search
|
| 507 |
+
procedure and updates an interval that contains a step that
|
| 508 |
+
satisfies a sufficient decrease and a curvature condition.
|
| 509 |
+
|
| 510 |
+
The parameter stx contains the step with the least function
|
| 511 |
+
value. If brackt is set to .true. then a minimizer has
|
| 512 |
+
been bracketed in an interval with endpoints stx and sty.
|
| 513 |
+
The parameter stp contains the current step.
|
| 514 |
+
The subroutine assumes that if brackt is set to .true. then
|
| 515 |
+
|
| 516 |
+
min(stx,sty) < stp < max(stx,sty),
|
| 517 |
+
|
| 518 |
+
and that the derivative at stx is negative in the direction
|
| 519 |
+
of the step.
|
| 520 |
+
|
| 521 |
+
The subroutine statement is
|
| 522 |
+
|
| 523 |
+
subroutine dcstep(stx,fx,dx,sty,fy,dy,stp,fp,dp,brackt,
|
| 524 |
+
stpmin,stpmax)
|
| 525 |
+
|
| 526 |
+
where
|
| 527 |
+
|
| 528 |
+
stx is a double precision variable.
|
| 529 |
+
On entry stx is the best step obtained so far and is an
|
| 530 |
+
endpoint of the interval that contains the minimizer.
|
| 531 |
+
On exit stx is the updated best step.
|
| 532 |
+
|
| 533 |
+
fx is a double precision variable.
|
| 534 |
+
On entry fx is the function at stx.
|
| 535 |
+
On exit fx is the function at stx.
|
| 536 |
+
|
| 537 |
+
dx is a double precision variable.
|
| 538 |
+
On entry dx is the derivative of the function at
|
| 539 |
+
stx. The derivative must be negative in the direction of
|
| 540 |
+
the step, that is, dx and stp - stx must have opposite
|
| 541 |
+
signs.
|
| 542 |
+
On exit dx is the derivative of the function at stx.
|
| 543 |
+
|
| 544 |
+
sty is a double precision variable.
|
| 545 |
+
On entry sty is the second endpoint of the interval that
|
| 546 |
+
contains the minimizer.
|
| 547 |
+
On exit sty is the updated endpoint of the interval that
|
| 548 |
+
contains the minimizer.
|
| 549 |
+
|
| 550 |
+
fy is a double precision variable.
|
| 551 |
+
On entry fy is the function at sty.
|
| 552 |
+
On exit fy is the function at sty.
|
| 553 |
+
|
| 554 |
+
dy is a double precision variable.
|
| 555 |
+
On entry dy is the derivative of the function at sty.
|
| 556 |
+
On exit dy is the derivative of the function at the exit sty.
|
| 557 |
+
|
| 558 |
+
stp is a double precision variable.
|
| 559 |
+
On entry stp is the current step. If brackt is set to .true.
|
| 560 |
+
then on input stp must be between stx and sty.
|
| 561 |
+
On exit stp is a new trial step.
|
| 562 |
+
|
| 563 |
+
fp is a double precision variable.
|
| 564 |
+
On entry fp is the function at stp
|
| 565 |
+
On exit fp is unchanged.
|
| 566 |
+
|
| 567 |
+
dp is a double precision variable.
|
| 568 |
+
On entry dp is the derivative of the function at stp.
|
| 569 |
+
On exit dp is unchanged.
|
| 570 |
+
|
| 571 |
+
brackt is an logical variable.
|
| 572 |
+
On entry brackt specifies if a minimizer has been bracketed.
|
| 573 |
+
Initially brackt must be set to .false.
|
| 574 |
+
On exit brackt specifies if a minimizer has been bracketed.
|
| 575 |
+
When a minimizer is bracketed brackt is set to .true.
|
| 576 |
+
|
| 577 |
+
stpmin is a double precision variable.
|
| 578 |
+
On entry stpmin is a lower bound for the step.
|
| 579 |
+
On exit stpmin is unchanged.
|
| 580 |
+
|
| 581 |
+
stpmax is a double precision variable.
|
| 582 |
+
On entry stpmax is an upper bound for the step.
|
| 583 |
+
On exit stpmax is unchanged.
|
| 584 |
+
|
| 585 |
+
MINPACK-1 Project. June 1983
|
| 586 |
+
Argonne National Laboratory.
|
| 587 |
+
Jorge J. More' and David J. Thuente.
|
| 588 |
+
|
| 589 |
+
MINPACK-2 Project. November 1993.
|
| 590 |
+
Argonne National Laboratory and University of Minnesota.
|
| 591 |
+
Brett M. Averick and Jorge J. More'.
|
| 592 |
+
|
| 593 |
+
"""
|
| 594 |
+
sgn_dp = np.sign(dp)
|
| 595 |
+
sgn_dx = np.sign(dx)
|
| 596 |
+
|
| 597 |
+
# sgnd = dp * (dx / abs(dx))
|
| 598 |
+
sgnd = sgn_dp * sgn_dx
|
| 599 |
+
|
| 600 |
+
# First case: A higher function value. The minimum is bracketed.
|
| 601 |
+
# If the cubic step is closer to stx than the quadratic step, the
|
| 602 |
+
# cubic step is taken, otherwise the average of the cubic and
|
| 603 |
+
# quadratic steps is taken.
|
| 604 |
+
if fp > fx:
|
| 605 |
+
theta = 3.0 * (fx - fp) / (stp - stx) + dx + dp
|
| 606 |
+
s = max(abs(theta), abs(dx), abs(dp))
|
| 607 |
+
gamma = s * np.sqrt((theta / s) ** 2 - (dx / s) * (dp / s))
|
| 608 |
+
if stp < stx:
|
| 609 |
+
gamma *= -1
|
| 610 |
+
p = (gamma - dx) + theta
|
| 611 |
+
q = ((gamma - dx) + gamma) + dp
|
| 612 |
+
r = p / q
|
| 613 |
+
stpc = stx + r * (stp - stx)
|
| 614 |
+
stpq = stx + ((dx / ((fx - fp) / (stp - stx) + dx)) / 2.0) * (stp - stx)
|
| 615 |
+
if abs(stpc - stx) <= abs(stpq - stx):
|
| 616 |
+
stpf = stpc
|
| 617 |
+
else:
|
| 618 |
+
stpf = stpc + (stpq - stpc) / 2.0
|
| 619 |
+
brackt = True
|
| 620 |
+
elif sgnd < 0.0:
|
| 621 |
+
# Second case: A lower function value and derivatives of opposite
|
| 622 |
+
# sign. The minimum is bracketed. If the cubic step is farther from
|
| 623 |
+
# stp than the secant step, the cubic step is taken, otherwise the
|
| 624 |
+
# secant step is taken.
|
| 625 |
+
theta = 3 * (fx - fp) / (stp - stx) + dx + dp
|
| 626 |
+
s = max(abs(theta), abs(dx), abs(dp))
|
| 627 |
+
gamma = s * np.sqrt((theta / s) ** 2 - (dx / s) * (dp / s))
|
| 628 |
+
if stp > stx:
|
| 629 |
+
gamma *= -1
|
| 630 |
+
p = (gamma - dp) + theta
|
| 631 |
+
q = ((gamma - dp) + gamma) + dx
|
| 632 |
+
r = p / q
|
| 633 |
+
stpc = stp + r * (stx - stp)
|
| 634 |
+
stpq = stp + (dp / (dp - dx)) * (stx - stp)
|
| 635 |
+
if abs(stpc - stp) > abs(stpq - stp):
|
| 636 |
+
stpf = stpc
|
| 637 |
+
else:
|
| 638 |
+
stpf = stpq
|
| 639 |
+
brackt = True
|
| 640 |
+
elif abs(dp) < abs(dx):
|
| 641 |
+
# Third case: A lower function value, derivatives of the same sign,
|
| 642 |
+
# and the magnitude of the derivative decreases.
|
| 643 |
+
|
| 644 |
+
# The cubic step is computed only if the cubic tends to infinity
|
| 645 |
+
# in the direction of the step or if the minimum of the cubic
|
| 646 |
+
# is beyond stp. Otherwise the cubic step is defined to be the
|
| 647 |
+
# secant step.
|
| 648 |
+
theta = 3 * (fx - fp) / (stp - stx) + dx + dp
|
| 649 |
+
s = max(abs(theta), abs(dx), abs(dp))
|
| 650 |
+
|
| 651 |
+
# The case gamma = 0 only arises if the cubic does not tend
|
| 652 |
+
# to infinity in the direction of the step.
|
| 653 |
+
gamma = s * np.sqrt(max(0, (theta / s) ** 2 - (dx / s) * (dp / s)))
|
| 654 |
+
if stp > stx:
|
| 655 |
+
gamma = -gamma
|
| 656 |
+
p = (gamma - dp) + theta
|
| 657 |
+
q = (gamma + (dx - dp)) + gamma
|
| 658 |
+
r = p / q
|
| 659 |
+
if r < 0 and gamma != 0:
|
| 660 |
+
stpc = stp + r * (stx - stp)
|
| 661 |
+
elif stp > stx:
|
| 662 |
+
stpc = stpmax
|
| 663 |
+
else:
|
| 664 |
+
stpc = stpmin
|
| 665 |
+
stpq = stp + (dp / (dp - dx)) * (stx - stp)
|
| 666 |
+
|
| 667 |
+
if brackt:
|
| 668 |
+
# A minimizer has been bracketed. If the cubic step is
|
| 669 |
+
# closer to stp than the secant step, the cubic step is
|
| 670 |
+
# taken, otherwise the secant step is taken.
|
| 671 |
+
if abs(stpc - stp) < abs(stpq - stp):
|
| 672 |
+
stpf = stpc
|
| 673 |
+
else:
|
| 674 |
+
stpf = stpq
|
| 675 |
+
|
| 676 |
+
if stp > stx:
|
| 677 |
+
stpf = min(stp + 0.66 * (sty - stp), stpf)
|
| 678 |
+
else:
|
| 679 |
+
stpf = max(stp + 0.66 * (sty - stp), stpf)
|
| 680 |
+
else:
|
| 681 |
+
# A minimizer has not been bracketed. If the cubic step is
|
| 682 |
+
# farther from stp than the secant step, the cubic step is
|
| 683 |
+
# taken, otherwise the secant step is taken.
|
| 684 |
+
if abs(stpc - stp) > abs(stpq - stp):
|
| 685 |
+
stpf = stpc
|
| 686 |
+
else:
|
| 687 |
+
stpf = stpq
|
| 688 |
+
stpf = np.clip(stpf, stpmin, stpmax)
|
| 689 |
+
|
| 690 |
+
else:
|
| 691 |
+
# Fourth case: A lower function value, derivatives of the same sign,
|
| 692 |
+
# and the magnitude of the derivative does not decrease. If the
|
| 693 |
+
# minimum is not bracketed, the step is either stpmin or stpmax,
|
| 694 |
+
# otherwise the cubic step is taken.
|
| 695 |
+
if brackt:
|
| 696 |
+
theta = 3.0 * (fp - fy) / (sty - stp) + dy + dp
|
| 697 |
+
s = max(abs(theta), abs(dy), abs(dp))
|
| 698 |
+
gamma = s * np.sqrt((theta / s) ** 2 - (dy / s) * (dp / s))
|
| 699 |
+
if stp > sty:
|
| 700 |
+
gamma = -gamma
|
| 701 |
+
p = (gamma - dp) + theta
|
| 702 |
+
q = ((gamma - dp) + gamma) + dy
|
| 703 |
+
r = p / q
|
| 704 |
+
stpc = stp + r * (sty - stp)
|
| 705 |
+
stpf = stpc
|
| 706 |
+
elif stp > stx:
|
| 707 |
+
stpf = stpmax
|
| 708 |
+
else:
|
| 709 |
+
stpf = stpmin
|
| 710 |
+
|
| 711 |
+
# Update the interval which contains a minimizer.
|
| 712 |
+
if fp > fx:
|
| 713 |
+
sty = stp
|
| 714 |
+
fy = fp
|
| 715 |
+
dy = dp
|
| 716 |
+
else:
|
| 717 |
+
if sgnd < 0:
|
| 718 |
+
sty = stx
|
| 719 |
+
fy = fx
|
| 720 |
+
dy = dx
|
| 721 |
+
stx = stp
|
| 722 |
+
fx = fp
|
| 723 |
+
dx = dp
|
| 724 |
+
|
| 725 |
+
# Compute the new step.
|
| 726 |
+
stp = stpf
|
| 727 |
+
|
| 728 |
+
return stx, fx, dx, sty, fy, dy, stp, brackt
|
vila/lib/python3.10/site-packages/scipy/optimize/_direct.cpython-310-x86_64-linux-gnu.so
ADDED
|
Binary file (43.5 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_direct_py.py
ADDED
|
@@ -0,0 +1,278 @@
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|
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|
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|
|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
from __future__ import annotations
|
| 2 |
+
from typing import ( # noqa: UP035
|
| 3 |
+
Any, Callable, Iterable, TYPE_CHECKING
|
| 4 |
+
)
|
| 5 |
+
|
| 6 |
+
import numpy as np
|
| 7 |
+
from scipy.optimize import OptimizeResult
|
| 8 |
+
from ._constraints import old_bound_to_new, Bounds
|
| 9 |
+
from ._direct import direct as _direct # type: ignore
|
| 10 |
+
|
| 11 |
+
if TYPE_CHECKING:
|
| 12 |
+
import numpy.typing as npt
|
| 13 |
+
|
| 14 |
+
__all__ = ['direct']
|
| 15 |
+
|
| 16 |
+
ERROR_MESSAGES = (
|
| 17 |
+
"Number of function evaluations done is larger than maxfun={}",
|
| 18 |
+
"Number of iterations is larger than maxiter={}",
|
| 19 |
+
"u[i] < l[i] for some i",
|
| 20 |
+
"maxfun is too large",
|
| 21 |
+
"Initialization failed",
|
| 22 |
+
"There was an error in the creation of the sample points",
|
| 23 |
+
"An error occurred while the function was sampled",
|
| 24 |
+
"Maximum number of levels has been reached.",
|
| 25 |
+
"Forced stop",
|
| 26 |
+
"Invalid arguments",
|
| 27 |
+
"Out of memory",
|
| 28 |
+
)
|
| 29 |
+
|
| 30 |
+
SUCCESS_MESSAGES = (
|
| 31 |
+
("The best function value found is within a relative error={} "
|
| 32 |
+
"of the (known) global optimum f_min"),
|
| 33 |
+
("The volume of the hyperrectangle containing the lowest function value "
|
| 34 |
+
"found is below vol_tol={}"),
|
| 35 |
+
("The side length measure of the hyperrectangle containing the lowest "
|
| 36 |
+
"function value found is below len_tol={}"),
|
| 37 |
+
)
|
| 38 |
+
|
| 39 |
+
|
| 40 |
+
def direct(
|
| 41 |
+
func: Callable[[npt.ArrayLike, tuple[Any]], float],
|
| 42 |
+
bounds: Iterable | Bounds,
|
| 43 |
+
*,
|
| 44 |
+
args: tuple = (),
|
| 45 |
+
eps: float = 1e-4,
|
| 46 |
+
maxfun: int | None = None,
|
| 47 |
+
maxiter: int = 1000,
|
| 48 |
+
locally_biased: bool = True,
|
| 49 |
+
f_min: float = -np.inf,
|
| 50 |
+
f_min_rtol: float = 1e-4,
|
| 51 |
+
vol_tol: float = 1e-16,
|
| 52 |
+
len_tol: float = 1e-6,
|
| 53 |
+
callback: Callable[[npt.ArrayLike], None] | None = None
|
| 54 |
+
) -> OptimizeResult:
|
| 55 |
+
"""
|
| 56 |
+
Finds the global minimum of a function using the
|
| 57 |
+
DIRECT algorithm.
|
| 58 |
+
|
| 59 |
+
Parameters
|
| 60 |
+
----------
|
| 61 |
+
func : callable
|
| 62 |
+
The objective function to be minimized.
|
| 63 |
+
``func(x, *args) -> float``
|
| 64 |
+
where ``x`` is an 1-D array with shape (n,) and ``args`` is a tuple of
|
| 65 |
+
the fixed parameters needed to completely specify the function.
|
| 66 |
+
bounds : sequence or `Bounds`
|
| 67 |
+
Bounds for variables. There are two ways to specify the bounds:
|
| 68 |
+
|
| 69 |
+
1. Instance of `Bounds` class.
|
| 70 |
+
2. ``(min, max)`` pairs for each element in ``x``.
|
| 71 |
+
|
| 72 |
+
args : tuple, optional
|
| 73 |
+
Any additional fixed parameters needed to
|
| 74 |
+
completely specify the objective function.
|
| 75 |
+
eps : float, optional
|
| 76 |
+
Minimal required difference of the objective function values
|
| 77 |
+
between the current best hyperrectangle and the next potentially
|
| 78 |
+
optimal hyperrectangle to be divided. In consequence, `eps` serves as a
|
| 79 |
+
tradeoff between local and global search: the smaller, the more local
|
| 80 |
+
the search becomes. Default is 1e-4.
|
| 81 |
+
maxfun : int or None, optional
|
| 82 |
+
Approximate upper bound on objective function evaluations.
|
| 83 |
+
If `None`, will be automatically set to ``1000 * N`` where ``N``
|
| 84 |
+
represents the number of dimensions. Will be capped if necessary to
|
| 85 |
+
limit DIRECT's RAM usage to app. 1GiB. This will only occur for very
|
| 86 |
+
high dimensional problems and excessive `max_fun`. Default is `None`.
|
| 87 |
+
maxiter : int, optional
|
| 88 |
+
Maximum number of iterations. Default is 1000.
|
| 89 |
+
locally_biased : bool, optional
|
| 90 |
+
If `True` (default), use the locally biased variant of the
|
| 91 |
+
algorithm known as DIRECT_L. If `False`, use the original unbiased
|
| 92 |
+
DIRECT algorithm. For hard problems with many local minima,
|
| 93 |
+
`False` is recommended.
|
| 94 |
+
f_min : float, optional
|
| 95 |
+
Function value of the global optimum. Set this value only if the
|
| 96 |
+
global optimum is known. Default is ``-np.inf``, so that this
|
| 97 |
+
termination criterion is deactivated.
|
| 98 |
+
f_min_rtol : float, optional
|
| 99 |
+
Terminate the optimization once the relative error between the
|
| 100 |
+
current best minimum `f` and the supplied global minimum `f_min`
|
| 101 |
+
is smaller than `f_min_rtol`. This parameter is only used if
|
| 102 |
+
`f_min` is also set. Must lie between 0 and 1. Default is 1e-4.
|
| 103 |
+
vol_tol : float, optional
|
| 104 |
+
Terminate the optimization once the volume of the hyperrectangle
|
| 105 |
+
containing the lowest function value is smaller than `vol_tol`
|
| 106 |
+
of the complete search space. Must lie between 0 and 1.
|
| 107 |
+
Default is 1e-16.
|
| 108 |
+
len_tol : float, optional
|
| 109 |
+
If `locally_biased=True`, terminate the optimization once half of
|
| 110 |
+
the normalized maximal side length of the hyperrectangle containing
|
| 111 |
+
the lowest function value is smaller than `len_tol`.
|
| 112 |
+
If `locally_biased=False`, terminate the optimization once half of
|
| 113 |
+
the normalized diagonal of the hyperrectangle containing the lowest
|
| 114 |
+
function value is smaller than `len_tol`. Must lie between 0 and 1.
|
| 115 |
+
Default is 1e-6.
|
| 116 |
+
callback : callable, optional
|
| 117 |
+
A callback function with signature ``callback(xk)`` where ``xk``
|
| 118 |
+
represents the best function value found so far.
|
| 119 |
+
|
| 120 |
+
Returns
|
| 121 |
+
-------
|
| 122 |
+
res : OptimizeResult
|
| 123 |
+
The optimization result represented as a ``OptimizeResult`` object.
|
| 124 |
+
Important attributes are: ``x`` the solution array, ``success`` a
|
| 125 |
+
Boolean flag indicating if the optimizer exited successfully and
|
| 126 |
+
``message`` which describes the cause of the termination. See
|
| 127 |
+
`OptimizeResult` for a description of other attributes.
|
| 128 |
+
|
| 129 |
+
Notes
|
| 130 |
+
-----
|
| 131 |
+
DIviding RECTangles (DIRECT) is a deterministic global
|
| 132 |
+
optimization algorithm capable of minimizing a black box function with
|
| 133 |
+
its variables subject to lower and upper bound constraints by sampling
|
| 134 |
+
potential solutions in the search space [1]_. The algorithm starts by
|
| 135 |
+
normalising the search space to an n-dimensional unit hypercube.
|
| 136 |
+
It samples the function at the center of this hypercube and at 2n
|
| 137 |
+
(n is the number of variables) more points, 2 in each coordinate
|
| 138 |
+
direction. Using these function values, DIRECT then divides the
|
| 139 |
+
domain into hyperrectangles, each having exactly one of the sampling
|
| 140 |
+
points as its center. In each iteration, DIRECT chooses, using the `eps`
|
| 141 |
+
parameter which defaults to 1e-4, some of the existing hyperrectangles
|
| 142 |
+
to be further divided. This division process continues until either the
|
| 143 |
+
maximum number of iterations or maximum function evaluations allowed
|
| 144 |
+
are exceeded, or the hyperrectangle containing the minimal value found
|
| 145 |
+
so far becomes small enough. If `f_min` is specified, the optimization
|
| 146 |
+
will stop once this function value is reached within a relative tolerance.
|
| 147 |
+
The locally biased variant of DIRECT (originally called DIRECT_L) [2]_ is
|
| 148 |
+
used by default. It makes the search more locally biased and more
|
| 149 |
+
efficient for cases with only a few local minima.
|
| 150 |
+
|
| 151 |
+
A note about termination criteria: `vol_tol` refers to the volume of the
|
| 152 |
+
hyperrectangle containing the lowest function value found so far. This
|
| 153 |
+
volume decreases exponentially with increasing dimensionality of the
|
| 154 |
+
problem. Therefore `vol_tol` should be decreased to avoid premature
|
| 155 |
+
termination of the algorithm for higher dimensions. This does not hold
|
| 156 |
+
for `len_tol`: it refers either to half of the maximal side length
|
| 157 |
+
(for ``locally_biased=True``) or half of the diagonal of the
|
| 158 |
+
hyperrectangle (for ``locally_biased=False``).
|
| 159 |
+
|
| 160 |
+
This code is based on the DIRECT 2.0.4 Fortran code by Gablonsky et al. at
|
| 161 |
+
https://ctk.math.ncsu.edu/SOFTWARE/DIRECTv204.tar.gz .
|
| 162 |
+
This original version was initially converted via f2c and then cleaned up
|
| 163 |
+
and reorganized by Steven G. Johnson, August 2007, for the NLopt project.
|
| 164 |
+
The `direct` function wraps the C implementation.
|
| 165 |
+
|
| 166 |
+
.. versionadded:: 1.9.0
|
| 167 |
+
|
| 168 |
+
References
|
| 169 |
+
----------
|
| 170 |
+
.. [1] Jones, D.R., Perttunen, C.D. & Stuckman, B.E. Lipschitzian
|
| 171 |
+
optimization without the Lipschitz constant. J Optim Theory Appl
|
| 172 |
+
79, 157-181 (1993).
|
| 173 |
+
.. [2] Gablonsky, J., Kelley, C. A Locally-Biased form of the DIRECT
|
| 174 |
+
Algorithm. Journal of Global Optimization 21, 27-37 (2001).
|
| 175 |
+
|
| 176 |
+
Examples
|
| 177 |
+
--------
|
| 178 |
+
The following example is a 2-D problem with four local minima: minimizing
|
| 179 |
+
the Styblinski-Tang function
|
| 180 |
+
(https://en.wikipedia.org/wiki/Test_functions_for_optimization).
|
| 181 |
+
|
| 182 |
+
>>> from scipy.optimize import direct, Bounds
|
| 183 |
+
>>> def styblinski_tang(pos):
|
| 184 |
+
... x, y = pos
|
| 185 |
+
... return 0.5 * (x**4 - 16*x**2 + 5*x + y**4 - 16*y**2 + 5*y)
|
| 186 |
+
>>> bounds = Bounds([-4., -4.], [4., 4.])
|
| 187 |
+
>>> result = direct(styblinski_tang, bounds)
|
| 188 |
+
>>> result.x, result.fun, result.nfev
|
| 189 |
+
array([-2.90321597, -2.90321597]), -78.3323279095383, 2011
|
| 190 |
+
|
| 191 |
+
The correct global minimum was found but with a huge number of function
|
| 192 |
+
evaluations (2011). Loosening the termination tolerances `vol_tol` and
|
| 193 |
+
`len_tol` can be used to stop DIRECT earlier.
|
| 194 |
+
|
| 195 |
+
>>> result = direct(styblinski_tang, bounds, len_tol=1e-3)
|
| 196 |
+
>>> result.x, result.fun, result.nfev
|
| 197 |
+
array([-2.9044353, -2.9044353]), -78.33230330754142, 207
|
| 198 |
+
|
| 199 |
+
"""
|
| 200 |
+
# convert bounds to new Bounds class if necessary
|
| 201 |
+
if not isinstance(bounds, Bounds):
|
| 202 |
+
if isinstance(bounds, list) or isinstance(bounds, tuple):
|
| 203 |
+
lb, ub = old_bound_to_new(bounds)
|
| 204 |
+
bounds = Bounds(lb, ub)
|
| 205 |
+
else:
|
| 206 |
+
message = ("bounds must be a sequence or "
|
| 207 |
+
"instance of Bounds class")
|
| 208 |
+
raise ValueError(message)
|
| 209 |
+
|
| 210 |
+
lb = np.ascontiguousarray(bounds.lb, dtype=np.float64)
|
| 211 |
+
ub = np.ascontiguousarray(bounds.ub, dtype=np.float64)
|
| 212 |
+
|
| 213 |
+
# validate bounds
|
| 214 |
+
# check that lower bounds are smaller than upper bounds
|
| 215 |
+
if not np.all(lb < ub):
|
| 216 |
+
raise ValueError('Bounds are not consistent min < max')
|
| 217 |
+
# check for infs
|
| 218 |
+
if (np.any(np.isinf(lb)) or np.any(np.isinf(ub))):
|
| 219 |
+
raise ValueError("Bounds must not be inf.")
|
| 220 |
+
|
| 221 |
+
# validate tolerances
|
| 222 |
+
if (vol_tol < 0 or vol_tol > 1):
|
| 223 |
+
raise ValueError("vol_tol must be between 0 and 1.")
|
| 224 |
+
if (len_tol < 0 or len_tol > 1):
|
| 225 |
+
raise ValueError("len_tol must be between 0 and 1.")
|
| 226 |
+
if (f_min_rtol < 0 or f_min_rtol > 1):
|
| 227 |
+
raise ValueError("f_min_rtol must be between 0 and 1.")
|
| 228 |
+
|
| 229 |
+
# validate maxfun and maxiter
|
| 230 |
+
if maxfun is None:
|
| 231 |
+
maxfun = 1000 * lb.shape[0]
|
| 232 |
+
if not isinstance(maxfun, int):
|
| 233 |
+
raise ValueError("maxfun must be of type int.")
|
| 234 |
+
if maxfun < 0:
|
| 235 |
+
raise ValueError("maxfun must be > 0.")
|
| 236 |
+
if not isinstance(maxiter, int):
|
| 237 |
+
raise ValueError("maxiter must be of type int.")
|
| 238 |
+
if maxiter < 0:
|
| 239 |
+
raise ValueError("maxiter must be > 0.")
|
| 240 |
+
|
| 241 |
+
# validate boolean parameters
|
| 242 |
+
if not isinstance(locally_biased, bool):
|
| 243 |
+
raise ValueError("locally_biased must be True or False.")
|
| 244 |
+
|
| 245 |
+
def _func_wrap(x, args=None):
|
| 246 |
+
x = np.asarray(x)
|
| 247 |
+
if args is None:
|
| 248 |
+
f = func(x)
|
| 249 |
+
else:
|
| 250 |
+
f = func(x, *args)
|
| 251 |
+
# always return a float
|
| 252 |
+
return np.asarray(f).item()
|
| 253 |
+
|
| 254 |
+
# TODO: fix disp argument
|
| 255 |
+
x, fun, ret_code, nfev, nit = _direct(
|
| 256 |
+
_func_wrap,
|
| 257 |
+
np.asarray(lb), np.asarray(ub),
|
| 258 |
+
args,
|
| 259 |
+
False, eps, maxfun, maxiter,
|
| 260 |
+
locally_biased,
|
| 261 |
+
f_min, f_min_rtol,
|
| 262 |
+
vol_tol, len_tol, callback
|
| 263 |
+
)
|
| 264 |
+
|
| 265 |
+
format_val = (maxfun, maxiter, f_min_rtol, vol_tol, len_tol)
|
| 266 |
+
if ret_code > 2:
|
| 267 |
+
message = SUCCESS_MESSAGES[ret_code - 3].format(
|
| 268 |
+
format_val[ret_code - 1])
|
| 269 |
+
elif 0 < ret_code <= 2:
|
| 270 |
+
message = ERROR_MESSAGES[ret_code - 1].format(format_val[ret_code - 1])
|
| 271 |
+
elif 0 > ret_code > -100:
|
| 272 |
+
message = ERROR_MESSAGES[abs(ret_code) + 1]
|
| 273 |
+
else:
|
| 274 |
+
message = ERROR_MESSAGES[ret_code + 99]
|
| 275 |
+
|
| 276 |
+
return OptimizeResult(x=np.asarray(x), fun=fun, status=ret_code,
|
| 277 |
+
success=ret_code > 2, message=message,
|
| 278 |
+
nfev=nfev, nit=nit)
|
vila/lib/python3.10/site-packages/scipy/optimize/_group_columns.cpython-310-x86_64-linux-gnu.so
ADDED
|
Binary file (99.8 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_hessian_update_strategy.py
ADDED
|
@@ -0,0 +1,475 @@
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|
|
|
| 1 |
+
"""Hessian update strategies for quasi-Newton optimization methods."""
|
| 2 |
+
import numpy as np
|
| 3 |
+
from numpy.linalg import norm
|
| 4 |
+
from scipy.linalg import get_blas_funcs, issymmetric
|
| 5 |
+
from warnings import warn
|
| 6 |
+
|
| 7 |
+
|
| 8 |
+
__all__ = ['HessianUpdateStrategy', 'BFGS', 'SR1']
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
class HessianUpdateStrategy:
|
| 12 |
+
"""Interface for implementing Hessian update strategies.
|
| 13 |
+
|
| 14 |
+
Many optimization methods make use of Hessian (or inverse Hessian)
|
| 15 |
+
approximations, such as the quasi-Newton methods BFGS, SR1, L-BFGS.
|
| 16 |
+
Some of these approximations, however, do not actually need to store
|
| 17 |
+
the entire matrix or can compute the internal matrix product with a
|
| 18 |
+
given vector in a very efficiently manner. This class serves as an
|
| 19 |
+
abstract interface between the optimization algorithm and the
|
| 20 |
+
quasi-Newton update strategies, giving freedom of implementation
|
| 21 |
+
to store and update the internal matrix as efficiently as possible.
|
| 22 |
+
Different choices of initialization and update procedure will result
|
| 23 |
+
in different quasi-Newton strategies.
|
| 24 |
+
|
| 25 |
+
Four methods should be implemented in derived classes: ``initialize``,
|
| 26 |
+
``update``, ``dot`` and ``get_matrix``.
|
| 27 |
+
|
| 28 |
+
Notes
|
| 29 |
+
-----
|
| 30 |
+
Any instance of a class that implements this interface,
|
| 31 |
+
can be accepted by the method ``minimize`` and used by
|
| 32 |
+
the compatible solvers to approximate the Hessian (or
|
| 33 |
+
inverse Hessian) used by the optimization algorithms.
|
| 34 |
+
"""
|
| 35 |
+
|
| 36 |
+
def initialize(self, n, approx_type):
|
| 37 |
+
"""Initialize internal matrix.
|
| 38 |
+
|
| 39 |
+
Allocate internal memory for storing and updating
|
| 40 |
+
the Hessian or its inverse.
|
| 41 |
+
|
| 42 |
+
Parameters
|
| 43 |
+
----------
|
| 44 |
+
n : int
|
| 45 |
+
Problem dimension.
|
| 46 |
+
approx_type : {'hess', 'inv_hess'}
|
| 47 |
+
Selects either the Hessian or the inverse Hessian.
|
| 48 |
+
When set to 'hess' the Hessian will be stored and updated.
|
| 49 |
+
When set to 'inv_hess' its inverse will be used instead.
|
| 50 |
+
"""
|
| 51 |
+
raise NotImplementedError("The method ``initialize(n, approx_type)``"
|
| 52 |
+
" is not implemented.")
|
| 53 |
+
|
| 54 |
+
def update(self, delta_x, delta_grad):
|
| 55 |
+
"""Update internal matrix.
|
| 56 |
+
|
| 57 |
+
Update Hessian matrix or its inverse (depending on how 'approx_type'
|
| 58 |
+
is defined) using information about the last evaluated points.
|
| 59 |
+
|
| 60 |
+
Parameters
|
| 61 |
+
----------
|
| 62 |
+
delta_x : ndarray
|
| 63 |
+
The difference between two points the gradient
|
| 64 |
+
function have been evaluated at: ``delta_x = x2 - x1``.
|
| 65 |
+
delta_grad : ndarray
|
| 66 |
+
The difference between the gradients:
|
| 67 |
+
``delta_grad = grad(x2) - grad(x1)``.
|
| 68 |
+
"""
|
| 69 |
+
raise NotImplementedError("The method ``update(delta_x, delta_grad)``"
|
| 70 |
+
" is not implemented.")
|
| 71 |
+
|
| 72 |
+
def dot(self, p):
|
| 73 |
+
"""Compute the product of the internal matrix with the given vector.
|
| 74 |
+
|
| 75 |
+
Parameters
|
| 76 |
+
----------
|
| 77 |
+
p : array_like
|
| 78 |
+
1-D array representing a vector.
|
| 79 |
+
|
| 80 |
+
Returns
|
| 81 |
+
-------
|
| 82 |
+
Hp : array
|
| 83 |
+
1-D represents the result of multiplying the approximation matrix
|
| 84 |
+
by vector p.
|
| 85 |
+
"""
|
| 86 |
+
raise NotImplementedError("The method ``dot(p)``"
|
| 87 |
+
" is not implemented.")
|
| 88 |
+
|
| 89 |
+
def get_matrix(self):
|
| 90 |
+
"""Return current internal matrix.
|
| 91 |
+
|
| 92 |
+
Returns
|
| 93 |
+
-------
|
| 94 |
+
H : ndarray, shape (n, n)
|
| 95 |
+
Dense matrix containing either the Hessian
|
| 96 |
+
or its inverse (depending on how 'approx_type'
|
| 97 |
+
is defined).
|
| 98 |
+
"""
|
| 99 |
+
raise NotImplementedError("The method ``get_matrix(p)``"
|
| 100 |
+
" is not implemented.")
|
| 101 |
+
|
| 102 |
+
|
| 103 |
+
class FullHessianUpdateStrategy(HessianUpdateStrategy):
|
| 104 |
+
"""Hessian update strategy with full dimensional internal representation.
|
| 105 |
+
"""
|
| 106 |
+
_syr = get_blas_funcs('syr', dtype='d') # Symmetric rank 1 update
|
| 107 |
+
_syr2 = get_blas_funcs('syr2', dtype='d') # Symmetric rank 2 update
|
| 108 |
+
# Symmetric matrix-vector product
|
| 109 |
+
_symv = get_blas_funcs('symv', dtype='d')
|
| 110 |
+
|
| 111 |
+
def __init__(self, init_scale='auto'):
|
| 112 |
+
self.init_scale = init_scale
|
| 113 |
+
# Until initialize is called we can't really use the class,
|
| 114 |
+
# so it makes sense to set everything to None.
|
| 115 |
+
self.first_iteration = None
|
| 116 |
+
self.approx_type = None
|
| 117 |
+
self.B = None
|
| 118 |
+
self.H = None
|
| 119 |
+
|
| 120 |
+
def initialize(self, n, approx_type):
|
| 121 |
+
"""Initialize internal matrix.
|
| 122 |
+
|
| 123 |
+
Allocate internal memory for storing and updating
|
| 124 |
+
the Hessian or its inverse.
|
| 125 |
+
|
| 126 |
+
Parameters
|
| 127 |
+
----------
|
| 128 |
+
n : int
|
| 129 |
+
Problem dimension.
|
| 130 |
+
approx_type : {'hess', 'inv_hess'}
|
| 131 |
+
Selects either the Hessian or the inverse Hessian.
|
| 132 |
+
When set to 'hess' the Hessian will be stored and updated.
|
| 133 |
+
When set to 'inv_hess' its inverse will be used instead.
|
| 134 |
+
"""
|
| 135 |
+
self.first_iteration = True
|
| 136 |
+
self.n = n
|
| 137 |
+
self.approx_type = approx_type
|
| 138 |
+
if approx_type not in ('hess', 'inv_hess'):
|
| 139 |
+
raise ValueError("`approx_type` must be 'hess' or 'inv_hess'.")
|
| 140 |
+
# Create matrix
|
| 141 |
+
if self.approx_type == 'hess':
|
| 142 |
+
self.B = np.eye(n, dtype=float)
|
| 143 |
+
else:
|
| 144 |
+
self.H = np.eye(n, dtype=float)
|
| 145 |
+
|
| 146 |
+
def _auto_scale(self, delta_x, delta_grad):
|
| 147 |
+
# Heuristic to scale matrix at first iteration.
|
| 148 |
+
# Described in Nocedal and Wright "Numerical Optimization"
|
| 149 |
+
# p.143 formula (6.20).
|
| 150 |
+
s_norm2 = np.dot(delta_x, delta_x)
|
| 151 |
+
y_norm2 = np.dot(delta_grad, delta_grad)
|
| 152 |
+
ys = np.abs(np.dot(delta_grad, delta_x))
|
| 153 |
+
if ys == 0.0 or y_norm2 == 0 or s_norm2 == 0:
|
| 154 |
+
return 1
|
| 155 |
+
if self.approx_type == 'hess':
|
| 156 |
+
return y_norm2 / ys
|
| 157 |
+
else:
|
| 158 |
+
return ys / y_norm2
|
| 159 |
+
|
| 160 |
+
def _update_implementation(self, delta_x, delta_grad):
|
| 161 |
+
raise NotImplementedError("The method ``_update_implementation``"
|
| 162 |
+
" is not implemented.")
|
| 163 |
+
|
| 164 |
+
def update(self, delta_x, delta_grad):
|
| 165 |
+
"""Update internal matrix.
|
| 166 |
+
|
| 167 |
+
Update Hessian matrix or its inverse (depending on how 'approx_type'
|
| 168 |
+
is defined) using information about the last evaluated points.
|
| 169 |
+
|
| 170 |
+
Parameters
|
| 171 |
+
----------
|
| 172 |
+
delta_x : ndarray
|
| 173 |
+
The difference between two points the gradient
|
| 174 |
+
function have been evaluated at: ``delta_x = x2 - x1``.
|
| 175 |
+
delta_grad : ndarray
|
| 176 |
+
The difference between the gradients:
|
| 177 |
+
``delta_grad = grad(x2) - grad(x1)``.
|
| 178 |
+
"""
|
| 179 |
+
if np.all(delta_x == 0.0):
|
| 180 |
+
return
|
| 181 |
+
if np.all(delta_grad == 0.0):
|
| 182 |
+
warn('delta_grad == 0.0. Check if the approximated '
|
| 183 |
+
'function is linear. If the function is linear '
|
| 184 |
+
'better results can be obtained by defining the '
|
| 185 |
+
'Hessian as zero instead of using quasi-Newton '
|
| 186 |
+
'approximations.',
|
| 187 |
+
UserWarning, stacklevel=2)
|
| 188 |
+
return
|
| 189 |
+
if self.first_iteration:
|
| 190 |
+
# Get user specific scale
|
| 191 |
+
if isinstance(self.init_scale, str) and self.init_scale == "auto":
|
| 192 |
+
scale = self._auto_scale(delta_x, delta_grad)
|
| 193 |
+
else:
|
| 194 |
+
scale = self.init_scale
|
| 195 |
+
|
| 196 |
+
# Check for complex: numpy will silently cast a complex array to
|
| 197 |
+
# a real one but not so for scalar as it raises a TypeError.
|
| 198 |
+
# Checking here brings a consistent behavior.
|
| 199 |
+
replace = False
|
| 200 |
+
if np.size(scale) == 1:
|
| 201 |
+
# to account for the legacy behavior having the exact same cast
|
| 202 |
+
scale = float(scale)
|
| 203 |
+
elif np.iscomplexobj(scale):
|
| 204 |
+
raise TypeError("init_scale contains complex elements, "
|
| 205 |
+
"must be real.")
|
| 206 |
+
else: # test explicitly for allowed shapes and values
|
| 207 |
+
replace = True
|
| 208 |
+
if self.approx_type == 'hess':
|
| 209 |
+
shape = np.shape(self.B)
|
| 210 |
+
dtype = self.B.dtype
|
| 211 |
+
else:
|
| 212 |
+
shape = np.shape(self.H)
|
| 213 |
+
dtype = self.H.dtype
|
| 214 |
+
# copy, will replace the original
|
| 215 |
+
scale = np.array(scale, dtype=dtype, copy=True)
|
| 216 |
+
|
| 217 |
+
# it has to match the shape of the matrix for the multiplication,
|
| 218 |
+
# no implicit broadcasting is allowed
|
| 219 |
+
if shape != (init_shape := np.shape(scale)):
|
| 220 |
+
raise ValueError("If init_scale is an array, it must have the "
|
| 221 |
+
f"dimensions of the hess/inv_hess: {shape}."
|
| 222 |
+
f" Got {init_shape}.")
|
| 223 |
+
if not issymmetric(scale):
|
| 224 |
+
raise ValueError("If init_scale is an array, it must be"
|
| 225 |
+
" symmetric (passing scipy.linalg.issymmetric)"
|
| 226 |
+
" to be an approximation of a hess/inv_hess.")
|
| 227 |
+
|
| 228 |
+
# Scale initial matrix with ``scale * np.eye(n)`` or replace
|
| 229 |
+
# This is not ideal, we could assign the scale directly in
|
| 230 |
+
# initialize, but we would need to
|
| 231 |
+
if self.approx_type == 'hess':
|
| 232 |
+
if replace:
|
| 233 |
+
self.B = scale
|
| 234 |
+
else:
|
| 235 |
+
self.B *= scale
|
| 236 |
+
else:
|
| 237 |
+
if replace:
|
| 238 |
+
self.H = scale
|
| 239 |
+
else:
|
| 240 |
+
self.H *= scale
|
| 241 |
+
self.first_iteration = False
|
| 242 |
+
self._update_implementation(delta_x, delta_grad)
|
| 243 |
+
|
| 244 |
+
def dot(self, p):
|
| 245 |
+
"""Compute the product of the internal matrix with the given vector.
|
| 246 |
+
|
| 247 |
+
Parameters
|
| 248 |
+
----------
|
| 249 |
+
p : array_like
|
| 250 |
+
1-D array representing a vector.
|
| 251 |
+
|
| 252 |
+
Returns
|
| 253 |
+
-------
|
| 254 |
+
Hp : array
|
| 255 |
+
1-D represents the result of multiplying the approximation matrix
|
| 256 |
+
by vector p.
|
| 257 |
+
"""
|
| 258 |
+
if self.approx_type == 'hess':
|
| 259 |
+
return self._symv(1, self.B, p)
|
| 260 |
+
else:
|
| 261 |
+
return self._symv(1, self.H, p)
|
| 262 |
+
|
| 263 |
+
def get_matrix(self):
|
| 264 |
+
"""Return the current internal matrix.
|
| 265 |
+
|
| 266 |
+
Returns
|
| 267 |
+
-------
|
| 268 |
+
M : ndarray, shape (n, n)
|
| 269 |
+
Dense matrix containing either the Hessian or its inverse
|
| 270 |
+
(depending on how `approx_type` was defined).
|
| 271 |
+
"""
|
| 272 |
+
if self.approx_type == 'hess':
|
| 273 |
+
M = np.copy(self.B)
|
| 274 |
+
else:
|
| 275 |
+
M = np.copy(self.H)
|
| 276 |
+
li = np.tril_indices_from(M, k=-1)
|
| 277 |
+
M[li] = M.T[li]
|
| 278 |
+
return M
|
| 279 |
+
|
| 280 |
+
|
| 281 |
+
class BFGS(FullHessianUpdateStrategy):
|
| 282 |
+
"""Broyden-Fletcher-Goldfarb-Shanno (BFGS) Hessian update strategy.
|
| 283 |
+
|
| 284 |
+
Parameters
|
| 285 |
+
----------
|
| 286 |
+
exception_strategy : {'skip_update', 'damp_update'}, optional
|
| 287 |
+
Define how to proceed when the curvature condition is violated.
|
| 288 |
+
Set it to 'skip_update' to just skip the update. Or, alternatively,
|
| 289 |
+
set it to 'damp_update' to interpolate between the actual BFGS
|
| 290 |
+
result and the unmodified matrix. Both exceptions strategies
|
| 291 |
+
are explained in [1]_, p.536-537.
|
| 292 |
+
min_curvature : float
|
| 293 |
+
This number, scaled by a normalization factor, defines the
|
| 294 |
+
minimum curvature ``dot(delta_grad, delta_x)`` allowed to go
|
| 295 |
+
unaffected by the exception strategy. By default is equal to
|
| 296 |
+
1e-8 when ``exception_strategy = 'skip_update'`` and equal
|
| 297 |
+
to 0.2 when ``exception_strategy = 'damp_update'``.
|
| 298 |
+
init_scale : {float, np.array, 'auto'}
|
| 299 |
+
This parameter can be used to initialize the Hessian or its
|
| 300 |
+
inverse. When a float is given, the relevant array is initialized
|
| 301 |
+
to ``np.eye(n) * init_scale``, where ``n`` is the problem dimension.
|
| 302 |
+
Alternatively, if a precisely ``(n, n)`` shaped, symmetric array is given,
|
| 303 |
+
this array will be used. Otherwise an error is generated.
|
| 304 |
+
Set it to 'auto' in order to use an automatic heuristic for choosing
|
| 305 |
+
the initial scale. The heuristic is described in [1]_, p.143.
|
| 306 |
+
The default is 'auto'.
|
| 307 |
+
|
| 308 |
+
Notes
|
| 309 |
+
-----
|
| 310 |
+
The update is based on the description in [1]_, p.140.
|
| 311 |
+
|
| 312 |
+
References
|
| 313 |
+
----------
|
| 314 |
+
.. [1] Nocedal, Jorge, and Stephen J. Wright. "Numerical optimization"
|
| 315 |
+
Second Edition (2006).
|
| 316 |
+
"""
|
| 317 |
+
|
| 318 |
+
def __init__(self, exception_strategy='skip_update', min_curvature=None,
|
| 319 |
+
init_scale='auto'):
|
| 320 |
+
if exception_strategy == 'skip_update':
|
| 321 |
+
if min_curvature is not None:
|
| 322 |
+
self.min_curvature = min_curvature
|
| 323 |
+
else:
|
| 324 |
+
self.min_curvature = 1e-8
|
| 325 |
+
elif exception_strategy == 'damp_update':
|
| 326 |
+
if min_curvature is not None:
|
| 327 |
+
self.min_curvature = min_curvature
|
| 328 |
+
else:
|
| 329 |
+
self.min_curvature = 0.2
|
| 330 |
+
else:
|
| 331 |
+
raise ValueError("`exception_strategy` must be 'skip_update' "
|
| 332 |
+
"or 'damp_update'.")
|
| 333 |
+
|
| 334 |
+
super().__init__(init_scale)
|
| 335 |
+
self.exception_strategy = exception_strategy
|
| 336 |
+
|
| 337 |
+
def _update_inverse_hessian(self, ys, Hy, yHy, s):
|
| 338 |
+
"""Update the inverse Hessian matrix.
|
| 339 |
+
|
| 340 |
+
BFGS update using the formula:
|
| 341 |
+
|
| 342 |
+
``H <- H + ((H*y).T*y + s.T*y)/(s.T*y)^2 * (s*s.T)
|
| 343 |
+
- 1/(s.T*y) * ((H*y)*s.T + s*(H*y).T)``
|
| 344 |
+
|
| 345 |
+
where ``s = delta_x`` and ``y = delta_grad``. This formula is
|
| 346 |
+
equivalent to (6.17) in [1]_ written in a more efficient way
|
| 347 |
+
for implementation.
|
| 348 |
+
|
| 349 |
+
References
|
| 350 |
+
----------
|
| 351 |
+
.. [1] Nocedal, Jorge, and Stephen J. Wright. "Numerical optimization"
|
| 352 |
+
Second Edition (2006).
|
| 353 |
+
"""
|
| 354 |
+
self.H = self._syr2(-1.0 / ys, s, Hy, a=self.H)
|
| 355 |
+
self.H = self._syr((ys + yHy) / ys ** 2, s, a=self.H)
|
| 356 |
+
|
| 357 |
+
def _update_hessian(self, ys, Bs, sBs, y):
|
| 358 |
+
"""Update the Hessian matrix.
|
| 359 |
+
|
| 360 |
+
BFGS update using the formula:
|
| 361 |
+
|
| 362 |
+
``B <- B - (B*s)*(B*s).T/s.T*(B*s) + y*y^T/s.T*y``
|
| 363 |
+
|
| 364 |
+
where ``s`` is short for ``delta_x`` and ``y`` is short
|
| 365 |
+
for ``delta_grad``. Formula (6.19) in [1]_.
|
| 366 |
+
|
| 367 |
+
References
|
| 368 |
+
----------
|
| 369 |
+
.. [1] Nocedal, Jorge, and Stephen J. Wright. "Numerical optimization"
|
| 370 |
+
Second Edition (2006).
|
| 371 |
+
"""
|
| 372 |
+
self.B = self._syr(1.0 / ys, y, a=self.B)
|
| 373 |
+
self.B = self._syr(-1.0 / sBs, Bs, a=self.B)
|
| 374 |
+
|
| 375 |
+
def _update_implementation(self, delta_x, delta_grad):
|
| 376 |
+
# Auxiliary variables w and z
|
| 377 |
+
if self.approx_type == 'hess':
|
| 378 |
+
w = delta_x
|
| 379 |
+
z = delta_grad
|
| 380 |
+
else:
|
| 381 |
+
w = delta_grad
|
| 382 |
+
z = delta_x
|
| 383 |
+
# Do some common operations
|
| 384 |
+
wz = np.dot(w, z)
|
| 385 |
+
Mw = self.dot(w)
|
| 386 |
+
wMw = Mw.dot(w)
|
| 387 |
+
# Guarantee that wMw > 0 by reinitializing matrix.
|
| 388 |
+
# While this is always true in exact arithmetic,
|
| 389 |
+
# indefinite matrix may appear due to roundoff errors.
|
| 390 |
+
if wMw <= 0.0:
|
| 391 |
+
scale = self._auto_scale(delta_x, delta_grad)
|
| 392 |
+
# Reinitialize matrix
|
| 393 |
+
if self.approx_type == 'hess':
|
| 394 |
+
self.B = scale * np.eye(self.n, dtype=float)
|
| 395 |
+
else:
|
| 396 |
+
self.H = scale * np.eye(self.n, dtype=float)
|
| 397 |
+
# Do common operations for new matrix
|
| 398 |
+
Mw = self.dot(w)
|
| 399 |
+
wMw = Mw.dot(w)
|
| 400 |
+
# Check if curvature condition is violated
|
| 401 |
+
if wz <= self.min_curvature * wMw:
|
| 402 |
+
# If the option 'skip_update' is set
|
| 403 |
+
# we just skip the update when the condition
|
| 404 |
+
# is violated.
|
| 405 |
+
if self.exception_strategy == 'skip_update':
|
| 406 |
+
return
|
| 407 |
+
# If the option 'damp_update' is set we
|
| 408 |
+
# interpolate between the actual BFGS
|
| 409 |
+
# result and the unmodified matrix.
|
| 410 |
+
elif self.exception_strategy == 'damp_update':
|
| 411 |
+
update_factor = (1-self.min_curvature) / (1 - wz/wMw)
|
| 412 |
+
z = update_factor*z + (1-update_factor)*Mw
|
| 413 |
+
wz = np.dot(w, z)
|
| 414 |
+
# Update matrix
|
| 415 |
+
if self.approx_type == 'hess':
|
| 416 |
+
self._update_hessian(wz, Mw, wMw, z)
|
| 417 |
+
else:
|
| 418 |
+
self._update_inverse_hessian(wz, Mw, wMw, z)
|
| 419 |
+
|
| 420 |
+
|
| 421 |
+
class SR1(FullHessianUpdateStrategy):
|
| 422 |
+
"""Symmetric-rank-1 Hessian update strategy.
|
| 423 |
+
|
| 424 |
+
Parameters
|
| 425 |
+
----------
|
| 426 |
+
min_denominator : float
|
| 427 |
+
This number, scaled by a normalization factor,
|
| 428 |
+
defines the minimum denominator magnitude allowed
|
| 429 |
+
in the update. When the condition is violated we skip
|
| 430 |
+
the update. By default uses ``1e-8``.
|
| 431 |
+
init_scale : {float, np.array, 'auto'}, optional
|
| 432 |
+
This parameter can be used to initialize the Hessian or its
|
| 433 |
+
inverse. When a float is given, the relevant array is initialized
|
| 434 |
+
to ``np.eye(n) * init_scale``, where ``n`` is the problem dimension.
|
| 435 |
+
Alternatively, if a precisely ``(n, n)`` shaped, symmetric array is given,
|
| 436 |
+
this array will be used. Otherwise an error is generated.
|
| 437 |
+
Set it to 'auto' in order to use an automatic heuristic for choosing
|
| 438 |
+
the initial scale. The heuristic is described in [1]_, p.143.
|
| 439 |
+
The default is 'auto'.
|
| 440 |
+
|
| 441 |
+
Notes
|
| 442 |
+
-----
|
| 443 |
+
The update is based on the description in [1]_, p.144-146.
|
| 444 |
+
|
| 445 |
+
References
|
| 446 |
+
----------
|
| 447 |
+
.. [1] Nocedal, Jorge, and Stephen J. Wright. "Numerical optimization"
|
| 448 |
+
Second Edition (2006).
|
| 449 |
+
"""
|
| 450 |
+
|
| 451 |
+
def __init__(self, min_denominator=1e-8, init_scale='auto'):
|
| 452 |
+
self.min_denominator = min_denominator
|
| 453 |
+
super().__init__(init_scale)
|
| 454 |
+
|
| 455 |
+
def _update_implementation(self, delta_x, delta_grad):
|
| 456 |
+
# Auxiliary variables w and z
|
| 457 |
+
if self.approx_type == 'hess':
|
| 458 |
+
w = delta_x
|
| 459 |
+
z = delta_grad
|
| 460 |
+
else:
|
| 461 |
+
w = delta_grad
|
| 462 |
+
z = delta_x
|
| 463 |
+
# Do some common operations
|
| 464 |
+
Mw = self.dot(w)
|
| 465 |
+
z_minus_Mw = z - Mw
|
| 466 |
+
denominator = np.dot(w, z_minus_Mw)
|
| 467 |
+
# If the denominator is too small
|
| 468 |
+
# we just skip the update.
|
| 469 |
+
if np.abs(denominator) <= self.min_denominator*norm(w)*norm(z_minus_Mw):
|
| 470 |
+
return
|
| 471 |
+
# Update matrix
|
| 472 |
+
if self.approx_type == 'hess':
|
| 473 |
+
self.B = self._syr(1/denominator, z_minus_Mw, a=self.B)
|
| 474 |
+
else:
|
| 475 |
+
self.H = self._syr(1/denominator, z_minus_Mw, a=self.H)
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/__init__.py
ADDED
|
File without changes
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/_highs_constants.cpython-310-x86_64-linux-gnu.so
ADDED
|
Binary file (36.1 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HConst.pxd
ADDED
|
@@ -0,0 +1,106 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libcpp cimport bool
|
| 4 |
+
from libcpp.string cimport string
|
| 5 |
+
|
| 6 |
+
cdef extern from "HConst.h" nogil:
|
| 7 |
+
|
| 8 |
+
const int HIGHS_CONST_I_INF "kHighsIInf"
|
| 9 |
+
const double HIGHS_CONST_INF "kHighsInf"
|
| 10 |
+
const double kHighsTiny
|
| 11 |
+
const double kHighsZero
|
| 12 |
+
const int kHighsThreadLimit
|
| 13 |
+
|
| 14 |
+
cdef enum HighsDebugLevel:
|
| 15 |
+
HighsDebugLevel_kHighsDebugLevelNone "kHighsDebugLevelNone" = 0
|
| 16 |
+
HighsDebugLevel_kHighsDebugLevelCheap "kHighsDebugLevelCheap"
|
| 17 |
+
HighsDebugLevel_kHighsDebugLevelCostly "kHighsDebugLevelCostly"
|
| 18 |
+
HighsDebugLevel_kHighsDebugLevelExpensive "kHighsDebugLevelExpensive"
|
| 19 |
+
HighsDebugLevel_kHighsDebugLevelMin "kHighsDebugLevelMin" = HighsDebugLevel_kHighsDebugLevelNone
|
| 20 |
+
HighsDebugLevel_kHighsDebugLevelMax "kHighsDebugLevelMax" = HighsDebugLevel_kHighsDebugLevelExpensive
|
| 21 |
+
|
| 22 |
+
ctypedef enum HighsModelStatus:
|
| 23 |
+
HighsModelStatusNOTSET "HighsModelStatus::kNotset" = 0
|
| 24 |
+
HighsModelStatusLOAD_ERROR "HighsModelStatus::kLoadError"
|
| 25 |
+
HighsModelStatusMODEL_ERROR "HighsModelStatus::kModelError"
|
| 26 |
+
HighsModelStatusPRESOLVE_ERROR "HighsModelStatus::kPresolveError"
|
| 27 |
+
HighsModelStatusSOLVE_ERROR "HighsModelStatus::kSolveError"
|
| 28 |
+
HighsModelStatusPOSTSOLVE_ERROR "HighsModelStatus::kPostsolveError"
|
| 29 |
+
HighsModelStatusMODEL_EMPTY "HighsModelStatus::kModelEmpty"
|
| 30 |
+
HighsModelStatusOPTIMAL "HighsModelStatus::kOptimal"
|
| 31 |
+
HighsModelStatusINFEASIBLE "HighsModelStatus::kInfeasible"
|
| 32 |
+
HighsModelStatus_UNBOUNDED_OR_INFEASIBLE "HighsModelStatus::kUnboundedOrInfeasible"
|
| 33 |
+
HighsModelStatusUNBOUNDED "HighsModelStatus::kUnbounded"
|
| 34 |
+
HighsModelStatusREACHED_DUAL_OBJECTIVE_VALUE_UPPER_BOUND "HighsModelStatus::kObjectiveBound"
|
| 35 |
+
HighsModelStatusREACHED_OBJECTIVE_TARGET "HighsModelStatus::kObjectiveTarget"
|
| 36 |
+
HighsModelStatusREACHED_TIME_LIMIT "HighsModelStatus::kTimeLimit"
|
| 37 |
+
HighsModelStatusREACHED_ITERATION_LIMIT "HighsModelStatus::kIterationLimit"
|
| 38 |
+
HighsModelStatusUNKNOWN "HighsModelStatus::kUnknown"
|
| 39 |
+
HighsModelStatusHIGHS_MODEL_STATUS_MIN "HighsModelStatus::kMin" = HighsModelStatusNOTSET
|
| 40 |
+
HighsModelStatusHIGHS_MODEL_STATUS_MAX "HighsModelStatus::kMax" = HighsModelStatusUNKNOWN
|
| 41 |
+
|
| 42 |
+
cdef enum HighsBasisStatus:
|
| 43 |
+
HighsBasisStatusLOWER "HighsBasisStatus::kLower" = 0, # (slack) variable is at its lower bound [including fixed variables]
|
| 44 |
+
HighsBasisStatusBASIC "HighsBasisStatus::kBasic" # (slack) variable is basic
|
| 45 |
+
HighsBasisStatusUPPER "HighsBasisStatus::kUpper" # (slack) variable is at its upper bound
|
| 46 |
+
HighsBasisStatusZERO "HighsBasisStatus::kZero" # free variable is non-basic and set to zero
|
| 47 |
+
HighsBasisStatusNONBASIC "HighsBasisStatus::kNonbasic" # nonbasic with no specific bound information - useful for users and postsolve
|
| 48 |
+
|
| 49 |
+
cdef enum SolverOption:
|
| 50 |
+
SOLVER_OPTION_SIMPLEX "SolverOption::SOLVER_OPTION_SIMPLEX" = -1
|
| 51 |
+
SOLVER_OPTION_CHOOSE "SolverOption::SOLVER_OPTION_CHOOSE"
|
| 52 |
+
SOLVER_OPTION_IPM "SolverOption::SOLVER_OPTION_IPM"
|
| 53 |
+
|
| 54 |
+
cdef enum PrimalDualStatus:
|
| 55 |
+
PrimalDualStatusSTATUS_NOT_SET "PrimalDualStatus::STATUS_NOT_SET" = -1
|
| 56 |
+
PrimalDualStatusSTATUS_MIN "PrimalDualStatus::STATUS_MIN" = PrimalDualStatusSTATUS_NOT_SET
|
| 57 |
+
PrimalDualStatusSTATUS_NO_SOLUTION "PrimalDualStatus::STATUS_NO_SOLUTION"
|
| 58 |
+
PrimalDualStatusSTATUS_UNKNOWN "PrimalDualStatus::STATUS_UNKNOWN"
|
| 59 |
+
PrimalDualStatusSTATUS_INFEASIBLE_POINT "PrimalDualStatus::STATUS_INFEASIBLE_POINT"
|
| 60 |
+
PrimalDualStatusSTATUS_FEASIBLE_POINT "PrimalDualStatus::STATUS_FEASIBLE_POINT"
|
| 61 |
+
PrimalDualStatusSTATUS_MAX "PrimalDualStatus::STATUS_MAX" = PrimalDualStatusSTATUS_FEASIBLE_POINT
|
| 62 |
+
|
| 63 |
+
cdef enum HighsOptionType:
|
| 64 |
+
HighsOptionTypeBOOL "HighsOptionType::kBool" = 0
|
| 65 |
+
HighsOptionTypeINT "HighsOptionType::kInt"
|
| 66 |
+
HighsOptionTypeDOUBLE "HighsOptionType::kDouble"
|
| 67 |
+
HighsOptionTypeSTRING "HighsOptionType::kString"
|
| 68 |
+
|
| 69 |
+
# workaround for lack of enum class support in Cython < 3.x
|
| 70 |
+
# cdef enum class ObjSense(int):
|
| 71 |
+
# ObjSenseMINIMIZE "ObjSense::kMinimize" = 1
|
| 72 |
+
# ObjSenseMAXIMIZE "ObjSense::kMaximize" = -1
|
| 73 |
+
|
| 74 |
+
cdef cppclass ObjSense:
|
| 75 |
+
pass
|
| 76 |
+
|
| 77 |
+
cdef ObjSense ObjSenseMINIMIZE "ObjSense::kMinimize"
|
| 78 |
+
cdef ObjSense ObjSenseMAXIMIZE "ObjSense::kMaximize"
|
| 79 |
+
|
| 80 |
+
# cdef enum class MatrixFormat(int):
|
| 81 |
+
# MatrixFormatkColwise "MatrixFormat::kColwise" = 1
|
| 82 |
+
# MatrixFormatkRowwise "MatrixFormat::kRowwise"
|
| 83 |
+
# MatrixFormatkRowwisePartitioned "MatrixFormat::kRowwisePartitioned"
|
| 84 |
+
|
| 85 |
+
cdef cppclass MatrixFormat:
|
| 86 |
+
pass
|
| 87 |
+
|
| 88 |
+
cdef MatrixFormat MatrixFormatkColwise "MatrixFormat::kColwise"
|
| 89 |
+
cdef MatrixFormat MatrixFormatkRowwise "MatrixFormat::kRowwise"
|
| 90 |
+
cdef MatrixFormat MatrixFormatkRowwisePartitioned "MatrixFormat::kRowwisePartitioned"
|
| 91 |
+
|
| 92 |
+
# cdef enum class HighsVarType(int):
|
| 93 |
+
# kContinuous "HighsVarType::kContinuous"
|
| 94 |
+
# kInteger "HighsVarType::kInteger"
|
| 95 |
+
# kSemiContinuous "HighsVarType::kSemiContinuous"
|
| 96 |
+
# kSemiInteger "HighsVarType::kSemiInteger"
|
| 97 |
+
# kImplicitInteger "HighsVarType::kImplicitInteger"
|
| 98 |
+
|
| 99 |
+
cdef cppclass HighsVarType:
|
| 100 |
+
pass
|
| 101 |
+
|
| 102 |
+
cdef HighsVarType kContinuous "HighsVarType::kContinuous"
|
| 103 |
+
cdef HighsVarType kInteger "HighsVarType::kInteger"
|
| 104 |
+
cdef HighsVarType kSemiContinuous "HighsVarType::kSemiContinuous"
|
| 105 |
+
cdef HighsVarType kSemiInteger "HighsVarType::kSemiInteger"
|
| 106 |
+
cdef HighsVarType kImplicitInteger "HighsVarType::kImplicitInteger"
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/Highs.pxd
ADDED
|
@@ -0,0 +1,56 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libc.stdio cimport FILE
|
| 4 |
+
|
| 5 |
+
from libcpp cimport bool
|
| 6 |
+
from libcpp.string cimport string
|
| 7 |
+
|
| 8 |
+
from .HighsStatus cimport HighsStatus
|
| 9 |
+
from .HighsOptions cimport HighsOptions
|
| 10 |
+
from .HighsInfo cimport HighsInfo
|
| 11 |
+
from .HighsLp cimport (
|
| 12 |
+
HighsLp,
|
| 13 |
+
HighsSolution,
|
| 14 |
+
HighsBasis,
|
| 15 |
+
ObjSense,
|
| 16 |
+
)
|
| 17 |
+
from .HConst cimport HighsModelStatus
|
| 18 |
+
|
| 19 |
+
cdef extern from "Highs.h":
|
| 20 |
+
# From HiGHS/src/Highs.h
|
| 21 |
+
cdef cppclass Highs:
|
| 22 |
+
HighsStatus passHighsOptions(const HighsOptions& options)
|
| 23 |
+
HighsStatus passModel(const HighsLp& lp)
|
| 24 |
+
HighsStatus run()
|
| 25 |
+
HighsStatus setHighsLogfile(FILE* logfile)
|
| 26 |
+
HighsStatus setHighsOutput(FILE* output)
|
| 27 |
+
HighsStatus writeHighsOptions(const string filename, const bool report_only_non_default_values = true)
|
| 28 |
+
|
| 29 |
+
# split up for cython below
|
| 30 |
+
#const HighsModelStatus& getModelStatus(const bool scaled_model = False) const
|
| 31 |
+
const HighsModelStatus & getModelStatus() const
|
| 32 |
+
|
| 33 |
+
const HighsInfo& getHighsInfo "getInfo" () const
|
| 34 |
+
string modelStatusToString(const HighsModelStatus model_status) const
|
| 35 |
+
#HighsStatus getHighsInfoValue(const string& info, int& value)
|
| 36 |
+
HighsStatus getHighsInfoValue(const string& info, double& value) const
|
| 37 |
+
const HighsOptions& getHighsOptions() const
|
| 38 |
+
|
| 39 |
+
const HighsLp& getLp() const
|
| 40 |
+
|
| 41 |
+
HighsStatus writeSolution(const string filename, const bool pretty) const
|
| 42 |
+
|
| 43 |
+
HighsStatus setBasis()
|
| 44 |
+
const HighsSolution& getSolution() const
|
| 45 |
+
const HighsBasis& getBasis() const
|
| 46 |
+
|
| 47 |
+
bool changeObjectiveSense(const ObjSense sense)
|
| 48 |
+
|
| 49 |
+
HighsStatus setHighsOptionValueBool "setOptionValue" (const string & option, const bool value)
|
| 50 |
+
HighsStatus setHighsOptionValueInt "setOptionValue" (const string & option, const int value)
|
| 51 |
+
HighsStatus setHighsOptionValueStr "setOptionValue" (const string & option, const string & value)
|
| 52 |
+
HighsStatus setHighsOptionValueDbl "setOptionValue" (const string & option, const double value)
|
| 53 |
+
|
| 54 |
+
string primalDualStatusToString(const int primal_dual_status)
|
| 55 |
+
|
| 56 |
+
void resetGlobalScheduler(bool blocking)
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsInfo.pxd
ADDED
|
@@ -0,0 +1,22 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
cdef extern from "HighsInfo.h" nogil:
|
| 4 |
+
# From HiGHS/src/lp_data/HighsInfo.h
|
| 5 |
+
cdef cppclass HighsInfo:
|
| 6 |
+
# Inherited from HighsInfoStruct:
|
| 7 |
+
int mip_node_count
|
| 8 |
+
int simplex_iteration_count
|
| 9 |
+
int ipm_iteration_count
|
| 10 |
+
int crossover_iteration_count
|
| 11 |
+
int primal_solution_status
|
| 12 |
+
int dual_solution_status
|
| 13 |
+
int basis_validity
|
| 14 |
+
double objective_function_value
|
| 15 |
+
double mip_dual_bound
|
| 16 |
+
double mip_gap
|
| 17 |
+
int num_primal_infeasibilities
|
| 18 |
+
double max_primal_infeasibility
|
| 19 |
+
double sum_primal_infeasibilities
|
| 20 |
+
int num_dual_infeasibilities
|
| 21 |
+
double max_dual_infeasibility
|
| 22 |
+
double sum_dual_infeasibilities
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsLp.pxd
ADDED
|
@@ -0,0 +1,46 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libcpp cimport bool
|
| 4 |
+
from libcpp.string cimport string
|
| 5 |
+
from libcpp.vector cimport vector
|
| 6 |
+
|
| 7 |
+
from .HConst cimport HighsBasisStatus, ObjSense, HighsVarType
|
| 8 |
+
from .HighsSparseMatrix cimport HighsSparseMatrix
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
cdef extern from "HighsLp.h" nogil:
|
| 12 |
+
# From HiGHS/src/lp_data/HighsLp.h
|
| 13 |
+
cdef cppclass HighsLp:
|
| 14 |
+
int num_col_
|
| 15 |
+
int num_row_
|
| 16 |
+
|
| 17 |
+
vector[double] col_cost_
|
| 18 |
+
vector[double] col_lower_
|
| 19 |
+
vector[double] col_upper_
|
| 20 |
+
vector[double] row_lower_
|
| 21 |
+
vector[double] row_upper_
|
| 22 |
+
|
| 23 |
+
HighsSparseMatrix a_matrix_
|
| 24 |
+
|
| 25 |
+
ObjSense sense_
|
| 26 |
+
double offset_
|
| 27 |
+
|
| 28 |
+
string model_name_
|
| 29 |
+
|
| 30 |
+
vector[string] row_names_
|
| 31 |
+
vector[string] col_names_
|
| 32 |
+
|
| 33 |
+
vector[HighsVarType] integrality_
|
| 34 |
+
|
| 35 |
+
bool isMip() const
|
| 36 |
+
|
| 37 |
+
cdef cppclass HighsSolution:
|
| 38 |
+
vector[double] col_value
|
| 39 |
+
vector[double] col_dual
|
| 40 |
+
vector[double] row_value
|
| 41 |
+
vector[double] row_dual
|
| 42 |
+
|
| 43 |
+
cdef cppclass HighsBasis:
|
| 44 |
+
bool valid_
|
| 45 |
+
vector[HighsBasisStatus] col_status
|
| 46 |
+
vector[HighsBasisStatus] row_status
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsLpUtils.pxd
ADDED
|
@@ -0,0 +1,9 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from .HighsStatus cimport HighsStatus
|
| 4 |
+
from .HighsLp cimport HighsLp
|
| 5 |
+
from .HighsOptions cimport HighsOptions
|
| 6 |
+
|
| 7 |
+
cdef extern from "HighsLpUtils.h" nogil:
|
| 8 |
+
# From HiGHS/src/lp_data/HighsLpUtils.h
|
| 9 |
+
HighsStatus assessLp(HighsLp& lp, const HighsOptions& options)
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsModelUtils.pxd
ADDED
|
@@ -0,0 +1,10 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libcpp.string cimport string
|
| 4 |
+
|
| 5 |
+
from .HConst cimport HighsModelStatus
|
| 6 |
+
|
| 7 |
+
cdef extern from "HighsModelUtils.h" nogil:
|
| 8 |
+
# From HiGHS/src/lp_data/HighsModelUtils.h
|
| 9 |
+
string utilHighsModelStatusToString(const HighsModelStatus model_status)
|
| 10 |
+
string utilBasisStatusToString(const int primal_dual_status)
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsOptions.pxd
ADDED
|
@@ -0,0 +1,110 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libc.stdio cimport FILE
|
| 4 |
+
|
| 5 |
+
from libcpp cimport bool
|
| 6 |
+
from libcpp.string cimport string
|
| 7 |
+
from libcpp.vector cimport vector
|
| 8 |
+
|
| 9 |
+
from .HConst cimport HighsOptionType
|
| 10 |
+
|
| 11 |
+
cdef extern from "HighsOptions.h" nogil:
|
| 12 |
+
|
| 13 |
+
cdef cppclass OptionRecord:
|
| 14 |
+
HighsOptionType type
|
| 15 |
+
string name
|
| 16 |
+
string description
|
| 17 |
+
bool advanced
|
| 18 |
+
|
| 19 |
+
cdef cppclass OptionRecordBool(OptionRecord):
|
| 20 |
+
bool* value
|
| 21 |
+
bool default_value
|
| 22 |
+
|
| 23 |
+
cdef cppclass OptionRecordInt(OptionRecord):
|
| 24 |
+
int* value
|
| 25 |
+
int lower_bound
|
| 26 |
+
int default_value
|
| 27 |
+
int upper_bound
|
| 28 |
+
|
| 29 |
+
cdef cppclass OptionRecordDouble(OptionRecord):
|
| 30 |
+
double* value
|
| 31 |
+
double lower_bound
|
| 32 |
+
double default_value
|
| 33 |
+
double upper_bound
|
| 34 |
+
|
| 35 |
+
cdef cppclass OptionRecordString(OptionRecord):
|
| 36 |
+
string* value
|
| 37 |
+
string default_value
|
| 38 |
+
|
| 39 |
+
cdef cppclass HighsOptions:
|
| 40 |
+
# From HighsOptionsStruct:
|
| 41 |
+
|
| 42 |
+
# Options read from the command line
|
| 43 |
+
string model_file
|
| 44 |
+
string presolve
|
| 45 |
+
string solver
|
| 46 |
+
string parallel
|
| 47 |
+
double time_limit
|
| 48 |
+
string options_file
|
| 49 |
+
|
| 50 |
+
# Options read from the file
|
| 51 |
+
double infinite_cost
|
| 52 |
+
double infinite_bound
|
| 53 |
+
double small_matrix_value
|
| 54 |
+
double large_matrix_value
|
| 55 |
+
double primal_feasibility_tolerance
|
| 56 |
+
double dual_feasibility_tolerance
|
| 57 |
+
double ipm_optimality_tolerance
|
| 58 |
+
double dual_objective_value_upper_bound
|
| 59 |
+
int highs_debug_level
|
| 60 |
+
int simplex_strategy
|
| 61 |
+
int simplex_scale_strategy
|
| 62 |
+
int simplex_crash_strategy
|
| 63 |
+
int simplex_dual_edge_weight_strategy
|
| 64 |
+
int simplex_primal_edge_weight_strategy
|
| 65 |
+
int simplex_iteration_limit
|
| 66 |
+
int simplex_update_limit
|
| 67 |
+
int ipm_iteration_limit
|
| 68 |
+
int highs_min_threads
|
| 69 |
+
int highs_max_threads
|
| 70 |
+
int message_level
|
| 71 |
+
string solution_file
|
| 72 |
+
bool write_solution_to_file
|
| 73 |
+
bool write_solution_pretty
|
| 74 |
+
|
| 75 |
+
# Advanced options
|
| 76 |
+
bool run_crossover
|
| 77 |
+
bool mps_parser_type_free
|
| 78 |
+
int keep_n_rows
|
| 79 |
+
int allowed_simplex_matrix_scale_factor
|
| 80 |
+
int allowed_simplex_cost_scale_factor
|
| 81 |
+
int simplex_dualise_strategy
|
| 82 |
+
int simplex_permute_strategy
|
| 83 |
+
int dual_simplex_cleanup_strategy
|
| 84 |
+
int simplex_price_strategy
|
| 85 |
+
int dual_chuzc_sort_strategy
|
| 86 |
+
bool simplex_initial_condition_check
|
| 87 |
+
double simplex_initial_condition_tolerance
|
| 88 |
+
double dual_steepest_edge_weight_log_error_threshhold
|
| 89 |
+
double dual_simplex_cost_perturbation_multiplier
|
| 90 |
+
double start_crossover_tolerance
|
| 91 |
+
bool less_infeasible_DSE_check
|
| 92 |
+
bool less_infeasible_DSE_choose_row
|
| 93 |
+
bool use_original_HFactor_logic
|
| 94 |
+
|
| 95 |
+
# Options for MIP solver
|
| 96 |
+
int mip_max_nodes
|
| 97 |
+
int mip_report_level
|
| 98 |
+
|
| 99 |
+
# Switch for MIP solver
|
| 100 |
+
bool mip
|
| 101 |
+
|
| 102 |
+
# Options for HighsPrintMessage and HighsLogMessage
|
| 103 |
+
FILE* logfile
|
| 104 |
+
FILE* output
|
| 105 |
+
int message_level
|
| 106 |
+
string solution_file
|
| 107 |
+
bool write_solution_to_file
|
| 108 |
+
bool write_solution_pretty
|
| 109 |
+
|
| 110 |
+
vector[OptionRecord*] records
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsRuntimeOptions.pxd
ADDED
|
@@ -0,0 +1,9 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libcpp cimport bool
|
| 4 |
+
|
| 5 |
+
from .HighsOptions cimport HighsOptions
|
| 6 |
+
|
| 7 |
+
cdef extern from "HighsRuntimeOptions.h" nogil:
|
| 8 |
+
# From HiGHS/src/lp_data/HighsRuntimeOptions.h
|
| 9 |
+
bool loadOptions(int argc, char** argv, HighsOptions& options)
|
vila/lib/python3.10/site-packages/scipy/optimize/_highs/src/cython/HighsStatus.pxd
ADDED
|
@@ -0,0 +1,12 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# cython: language_level=3
|
| 2 |
+
|
| 3 |
+
from libcpp.string cimport string
|
| 4 |
+
|
| 5 |
+
cdef extern from "HighsStatus.h" nogil:
|
| 6 |
+
ctypedef enum HighsStatus:
|
| 7 |
+
HighsStatusError "HighsStatus::kError" = -1
|
| 8 |
+
HighsStatusOK "HighsStatus::kOk" = 0
|
| 9 |
+
HighsStatusWarning "HighsStatus::kWarning" = 1
|
| 10 |
+
|
| 11 |
+
|
| 12 |
+
string highsStatusToString(HighsStatus status)
|
vila/lib/python3.10/site-packages/scipy/optimize/_lbfgsb_py.py
ADDED
|
@@ -0,0 +1,543 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
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|
|
|
|
|
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|
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|
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|
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|
|
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|
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|
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|
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|
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|
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|
|
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|
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|
|
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|
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|
|
|
|
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|
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|
| 1 |
+
"""
|
| 2 |
+
Functions
|
| 3 |
+
---------
|
| 4 |
+
.. autosummary::
|
| 5 |
+
:toctree: generated/
|
| 6 |
+
|
| 7 |
+
fmin_l_bfgs_b
|
| 8 |
+
|
| 9 |
+
"""
|
| 10 |
+
|
| 11 |
+
## License for the Python wrapper
|
| 12 |
+
## ==============================
|
| 13 |
+
|
| 14 |
+
## Copyright (c) 2004 David M. Cooke <cookedm@physics.mcmaster.ca>
|
| 15 |
+
|
| 16 |
+
## Permission is hereby granted, free of charge, to any person obtaining a
|
| 17 |
+
## copy of this software and associated documentation files (the "Software"),
|
| 18 |
+
## to deal in the Software without restriction, including without limitation
|
| 19 |
+
## the rights to use, copy, modify, merge, publish, distribute, sublicense,
|
| 20 |
+
## and/or sell copies of the Software, and to permit persons to whom the
|
| 21 |
+
## Software is furnished to do so, subject to the following conditions:
|
| 22 |
+
|
| 23 |
+
## The above copyright notice and this permission notice shall be included in
|
| 24 |
+
## all copies or substantial portions of the Software.
|
| 25 |
+
|
| 26 |
+
## THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
|
| 27 |
+
## IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
|
| 28 |
+
## FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
|
| 29 |
+
## AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
|
| 30 |
+
## LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
|
| 31 |
+
## FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
|
| 32 |
+
## DEALINGS IN THE SOFTWARE.
|
| 33 |
+
|
| 34 |
+
## Modifications by Travis Oliphant and Enthought, Inc. for inclusion in SciPy
|
| 35 |
+
|
| 36 |
+
import numpy as np
|
| 37 |
+
from numpy import array, asarray, float64, zeros
|
| 38 |
+
from . import _lbfgsb
|
| 39 |
+
from ._optimize import (MemoizeJac, OptimizeResult, _call_callback_maybe_halt,
|
| 40 |
+
_wrap_callback, _check_unknown_options,
|
| 41 |
+
_prepare_scalar_function)
|
| 42 |
+
from ._constraints import old_bound_to_new
|
| 43 |
+
|
| 44 |
+
from scipy.sparse.linalg import LinearOperator
|
| 45 |
+
|
| 46 |
+
__all__ = ['fmin_l_bfgs_b', 'LbfgsInvHessProduct']
|
| 47 |
+
|
| 48 |
+
|
| 49 |
+
def fmin_l_bfgs_b(func, x0, fprime=None, args=(),
|
| 50 |
+
approx_grad=0,
|
| 51 |
+
bounds=None, m=10, factr=1e7, pgtol=1e-5,
|
| 52 |
+
epsilon=1e-8,
|
| 53 |
+
iprint=-1, maxfun=15000, maxiter=15000, disp=None,
|
| 54 |
+
callback=None, maxls=20):
|
| 55 |
+
"""
|
| 56 |
+
Minimize a function func using the L-BFGS-B algorithm.
|
| 57 |
+
|
| 58 |
+
Parameters
|
| 59 |
+
----------
|
| 60 |
+
func : callable f(x,*args)
|
| 61 |
+
Function to minimize.
|
| 62 |
+
x0 : ndarray
|
| 63 |
+
Initial guess.
|
| 64 |
+
fprime : callable fprime(x,*args), optional
|
| 65 |
+
The gradient of `func`. If None, then `func` returns the function
|
| 66 |
+
value and the gradient (``f, g = func(x, *args)``), unless
|
| 67 |
+
`approx_grad` is True in which case `func` returns only ``f``.
|
| 68 |
+
args : sequence, optional
|
| 69 |
+
Arguments to pass to `func` and `fprime`.
|
| 70 |
+
approx_grad : bool, optional
|
| 71 |
+
Whether to approximate the gradient numerically (in which case
|
| 72 |
+
`func` returns only the function value).
|
| 73 |
+
bounds : list, optional
|
| 74 |
+
``(min, max)`` pairs for each element in ``x``, defining
|
| 75 |
+
the bounds on that parameter. Use None or +-inf for one of ``min`` or
|
| 76 |
+
``max`` when there is no bound in that direction.
|
| 77 |
+
m : int, optional
|
| 78 |
+
The maximum number of variable metric corrections
|
| 79 |
+
used to define the limited memory matrix. (The limited memory BFGS
|
| 80 |
+
method does not store the full hessian but uses this many terms in an
|
| 81 |
+
approximation to it.)
|
| 82 |
+
factr : float, optional
|
| 83 |
+
The iteration stops when
|
| 84 |
+
``(f^k - f^{k+1})/max{|f^k|,|f^{k+1}|,1} <= factr * eps``,
|
| 85 |
+
where ``eps`` is the machine precision, which is automatically
|
| 86 |
+
generated by the code. Typical values for `factr` are: 1e12 for
|
| 87 |
+
low accuracy; 1e7 for moderate accuracy; 10.0 for extremely
|
| 88 |
+
high accuracy. See Notes for relationship to `ftol`, which is exposed
|
| 89 |
+
(instead of `factr`) by the `scipy.optimize.minimize` interface to
|
| 90 |
+
L-BFGS-B.
|
| 91 |
+
pgtol : float, optional
|
| 92 |
+
The iteration will stop when
|
| 93 |
+
``max{|proj g_i | i = 1, ..., n} <= pgtol``
|
| 94 |
+
where ``proj g_i`` is the i-th component of the projected gradient.
|
| 95 |
+
epsilon : float, optional
|
| 96 |
+
Step size used when `approx_grad` is True, for numerically
|
| 97 |
+
calculating the gradient
|
| 98 |
+
iprint : int, optional
|
| 99 |
+
Controls the frequency of output. ``iprint < 0`` means no output;
|
| 100 |
+
``iprint = 0`` print only one line at the last iteration;
|
| 101 |
+
``0 < iprint < 99`` print also f and ``|proj g|`` every iprint iterations;
|
| 102 |
+
``iprint = 99`` print details of every iteration except n-vectors;
|
| 103 |
+
``iprint = 100`` print also the changes of active set and final x;
|
| 104 |
+
``iprint > 100`` print details of every iteration including x and g.
|
| 105 |
+
disp : int, optional
|
| 106 |
+
If zero, then no output. If a positive number, then this over-rides
|
| 107 |
+
`iprint` (i.e., `iprint` gets the value of `disp`).
|
| 108 |
+
maxfun : int, optional
|
| 109 |
+
Maximum number of function evaluations. Note that this function
|
| 110 |
+
may violate the limit because of evaluating gradients by numerical
|
| 111 |
+
differentiation.
|
| 112 |
+
maxiter : int, optional
|
| 113 |
+
Maximum number of iterations.
|
| 114 |
+
callback : callable, optional
|
| 115 |
+
Called after each iteration, as ``callback(xk)``, where ``xk`` is the
|
| 116 |
+
current parameter vector.
|
| 117 |
+
maxls : int, optional
|
| 118 |
+
Maximum number of line search steps (per iteration). Default is 20.
|
| 119 |
+
|
| 120 |
+
Returns
|
| 121 |
+
-------
|
| 122 |
+
x : array_like
|
| 123 |
+
Estimated position of the minimum.
|
| 124 |
+
f : float
|
| 125 |
+
Value of `func` at the minimum.
|
| 126 |
+
d : dict
|
| 127 |
+
Information dictionary.
|
| 128 |
+
|
| 129 |
+
* d['warnflag'] is
|
| 130 |
+
|
| 131 |
+
- 0 if converged,
|
| 132 |
+
- 1 if too many function evaluations or too many iterations,
|
| 133 |
+
- 2 if stopped for another reason, given in d['task']
|
| 134 |
+
|
| 135 |
+
* d['grad'] is the gradient at the minimum (should be 0 ish)
|
| 136 |
+
* d['funcalls'] is the number of function calls made.
|
| 137 |
+
* d['nit'] is the number of iterations.
|
| 138 |
+
|
| 139 |
+
See also
|
| 140 |
+
--------
|
| 141 |
+
minimize: Interface to minimization algorithms for multivariate
|
| 142 |
+
functions. See the 'L-BFGS-B' `method` in particular. Note that the
|
| 143 |
+
`ftol` option is made available via that interface, while `factr` is
|
| 144 |
+
provided via this interface, where `factr` is the factor multiplying
|
| 145 |
+
the default machine floating-point precision to arrive at `ftol`:
|
| 146 |
+
``ftol = factr * numpy.finfo(float).eps``.
|
| 147 |
+
|
| 148 |
+
Notes
|
| 149 |
+
-----
|
| 150 |
+
License of L-BFGS-B (FORTRAN code):
|
| 151 |
+
|
| 152 |
+
The version included here (in fortran code) is 3.0
|
| 153 |
+
(released April 25, 2011). It was written by Ciyou Zhu, Richard Byrd,
|
| 154 |
+
and Jorge Nocedal <nocedal@ece.nwu.edu>. It carries the following
|
| 155 |
+
condition for use:
|
| 156 |
+
|
| 157 |
+
This software is freely available, but we expect that all publications
|
| 158 |
+
describing work using this software, or all commercial products using it,
|
| 159 |
+
quote at least one of the references given below. This software is released
|
| 160 |
+
under the BSD License.
|
| 161 |
+
|
| 162 |
+
References
|
| 163 |
+
----------
|
| 164 |
+
* R. H. Byrd, P. Lu and J. Nocedal. A Limited Memory Algorithm for Bound
|
| 165 |
+
Constrained Optimization, (1995), SIAM Journal on Scientific and
|
| 166 |
+
Statistical Computing, 16, 5, pp. 1190-1208.
|
| 167 |
+
* C. Zhu, R. H. Byrd and J. Nocedal. L-BFGS-B: Algorithm 778: L-BFGS-B,
|
| 168 |
+
FORTRAN routines for large scale bound constrained optimization (1997),
|
| 169 |
+
ACM Transactions on Mathematical Software, 23, 4, pp. 550 - 560.
|
| 170 |
+
* J.L. Morales and J. Nocedal. L-BFGS-B: Remark on Algorithm 778: L-BFGS-B,
|
| 171 |
+
FORTRAN routines for large scale bound constrained optimization (2011),
|
| 172 |
+
ACM Transactions on Mathematical Software, 38, 1.
|
| 173 |
+
|
| 174 |
+
Examples
|
| 175 |
+
--------
|
| 176 |
+
Solve a linear regression problem via `fmin_l_bfgs_b`. To do this, first we define
|
| 177 |
+
an objective function ``f(m, b) = (y - y_model)**2``, where `y` describes the
|
| 178 |
+
observations and `y_model` the prediction of the linear model as
|
| 179 |
+
``y_model = m*x + b``. The bounds for the parameters, ``m`` and ``b``, are arbitrarily
|
| 180 |
+
chosen as ``(0,5)`` and ``(5,10)`` for this example.
|
| 181 |
+
|
| 182 |
+
>>> import numpy as np
|
| 183 |
+
>>> from scipy.optimize import fmin_l_bfgs_b
|
| 184 |
+
>>> X = np.arange(0, 10, 1)
|
| 185 |
+
>>> M = 2
|
| 186 |
+
>>> B = 3
|
| 187 |
+
>>> Y = M * X + B
|
| 188 |
+
>>> def func(parameters, *args):
|
| 189 |
+
... x = args[0]
|
| 190 |
+
... y = args[1]
|
| 191 |
+
... m, b = parameters
|
| 192 |
+
... y_model = m*x + b
|
| 193 |
+
... error = sum(np.power((y - y_model), 2))
|
| 194 |
+
... return error
|
| 195 |
+
|
| 196 |
+
>>> initial_values = np.array([0.0, 1.0])
|
| 197 |
+
|
| 198 |
+
>>> x_opt, f_opt, info = fmin_l_bfgs_b(func, x0=initial_values, args=(X, Y),
|
| 199 |
+
... approx_grad=True)
|
| 200 |
+
>>> x_opt, f_opt
|
| 201 |
+
array([1.99999999, 3.00000006]), 1.7746231151323805e-14 # may vary
|
| 202 |
+
|
| 203 |
+
The optimized parameters in ``x_opt`` agree with the ground truth parameters
|
| 204 |
+
``m`` and ``b``. Next, let us perform a bound contrained optimization using the `bounds`
|
| 205 |
+
parameter.
|
| 206 |
+
|
| 207 |
+
>>> bounds = [(0, 5), (5, 10)]
|
| 208 |
+
>>> x_opt, f_op, info = fmin_l_bfgs_b(func, x0=initial_values, args=(X, Y),
|
| 209 |
+
... approx_grad=True, bounds=bounds)
|
| 210 |
+
>>> x_opt, f_opt
|
| 211 |
+
array([1.65990508, 5.31649385]), 15.721334516453945 # may vary
|
| 212 |
+
"""
|
| 213 |
+
# handle fprime/approx_grad
|
| 214 |
+
if approx_grad:
|
| 215 |
+
fun = func
|
| 216 |
+
jac = None
|
| 217 |
+
elif fprime is None:
|
| 218 |
+
fun = MemoizeJac(func)
|
| 219 |
+
jac = fun.derivative
|
| 220 |
+
else:
|
| 221 |
+
fun = func
|
| 222 |
+
jac = fprime
|
| 223 |
+
|
| 224 |
+
# build options
|
| 225 |
+
callback = _wrap_callback(callback)
|
| 226 |
+
opts = {'disp': disp,
|
| 227 |
+
'iprint': iprint,
|
| 228 |
+
'maxcor': m,
|
| 229 |
+
'ftol': factr * np.finfo(float).eps,
|
| 230 |
+
'gtol': pgtol,
|
| 231 |
+
'eps': epsilon,
|
| 232 |
+
'maxfun': maxfun,
|
| 233 |
+
'maxiter': maxiter,
|
| 234 |
+
'callback': callback,
|
| 235 |
+
'maxls': maxls}
|
| 236 |
+
|
| 237 |
+
res = _minimize_lbfgsb(fun, x0, args=args, jac=jac, bounds=bounds,
|
| 238 |
+
**opts)
|
| 239 |
+
d = {'grad': res['jac'],
|
| 240 |
+
'task': res['message'],
|
| 241 |
+
'funcalls': res['nfev'],
|
| 242 |
+
'nit': res['nit'],
|
| 243 |
+
'warnflag': res['status']}
|
| 244 |
+
f = res['fun']
|
| 245 |
+
x = res['x']
|
| 246 |
+
|
| 247 |
+
return x, f, d
|
| 248 |
+
|
| 249 |
+
|
| 250 |
+
def _minimize_lbfgsb(fun, x0, args=(), jac=None, bounds=None,
|
| 251 |
+
disp=None, maxcor=10, ftol=2.2204460492503131e-09,
|
| 252 |
+
gtol=1e-5, eps=1e-8, maxfun=15000, maxiter=15000,
|
| 253 |
+
iprint=-1, callback=None, maxls=20,
|
| 254 |
+
finite_diff_rel_step=None, **unknown_options):
|
| 255 |
+
"""
|
| 256 |
+
Minimize a scalar function of one or more variables using the L-BFGS-B
|
| 257 |
+
algorithm.
|
| 258 |
+
|
| 259 |
+
Options
|
| 260 |
+
-------
|
| 261 |
+
disp : None or int
|
| 262 |
+
If `disp is None` (the default), then the supplied version of `iprint`
|
| 263 |
+
is used. If `disp is not None`, then it overrides the supplied version
|
| 264 |
+
of `iprint` with the behaviour you outlined.
|
| 265 |
+
maxcor : int
|
| 266 |
+
The maximum number of variable metric corrections used to
|
| 267 |
+
define the limited memory matrix. (The limited memory BFGS
|
| 268 |
+
method does not store the full hessian but uses this many terms
|
| 269 |
+
in an approximation to it.)
|
| 270 |
+
ftol : float
|
| 271 |
+
The iteration stops when ``(f^k -
|
| 272 |
+
f^{k+1})/max{|f^k|,|f^{k+1}|,1} <= ftol``.
|
| 273 |
+
gtol : float
|
| 274 |
+
The iteration will stop when ``max{|proj g_i | i = 1, ..., n}
|
| 275 |
+
<= gtol`` where ``proj g_i`` is the i-th component of the
|
| 276 |
+
projected gradient.
|
| 277 |
+
eps : float or ndarray
|
| 278 |
+
If `jac is None` the absolute step size used for numerical
|
| 279 |
+
approximation of the jacobian via forward differences.
|
| 280 |
+
maxfun : int
|
| 281 |
+
Maximum number of function evaluations. Note that this function
|
| 282 |
+
may violate the limit because of evaluating gradients by numerical
|
| 283 |
+
differentiation.
|
| 284 |
+
maxiter : int
|
| 285 |
+
Maximum number of iterations.
|
| 286 |
+
iprint : int, optional
|
| 287 |
+
Controls the frequency of output. ``iprint < 0`` means no output;
|
| 288 |
+
``iprint = 0`` print only one line at the last iteration;
|
| 289 |
+
``0 < iprint < 99`` print also f and ``|proj g|`` every iprint iterations;
|
| 290 |
+
``iprint = 99`` print details of every iteration except n-vectors;
|
| 291 |
+
``iprint = 100`` print also the changes of active set and final x;
|
| 292 |
+
``iprint > 100`` print details of every iteration including x and g.
|
| 293 |
+
maxls : int, optional
|
| 294 |
+
Maximum number of line search steps (per iteration). Default is 20.
|
| 295 |
+
finite_diff_rel_step : None or array_like, optional
|
| 296 |
+
If `jac in ['2-point', '3-point', 'cs']` the relative step size to
|
| 297 |
+
use for numerical approximation of the jacobian. The absolute step
|
| 298 |
+
size is computed as ``h = rel_step * sign(x) * max(1, abs(x))``,
|
| 299 |
+
possibly adjusted to fit into the bounds. For ``method='3-point'``
|
| 300 |
+
the sign of `h` is ignored. If None (default) then step is selected
|
| 301 |
+
automatically.
|
| 302 |
+
|
| 303 |
+
Notes
|
| 304 |
+
-----
|
| 305 |
+
The option `ftol` is exposed via the `scipy.optimize.minimize` interface,
|
| 306 |
+
but calling `scipy.optimize.fmin_l_bfgs_b` directly exposes `factr`. The
|
| 307 |
+
relationship between the two is ``ftol = factr * numpy.finfo(float).eps``.
|
| 308 |
+
I.e., `factr` multiplies the default machine floating-point precision to
|
| 309 |
+
arrive at `ftol`.
|
| 310 |
+
|
| 311 |
+
"""
|
| 312 |
+
_check_unknown_options(unknown_options)
|
| 313 |
+
m = maxcor
|
| 314 |
+
pgtol = gtol
|
| 315 |
+
factr = ftol / np.finfo(float).eps
|
| 316 |
+
|
| 317 |
+
x0 = asarray(x0).ravel()
|
| 318 |
+
n, = x0.shape
|
| 319 |
+
|
| 320 |
+
# historically old-style bounds were/are expected by lbfgsb.
|
| 321 |
+
# That's still the case but we'll deal with new-style from here on,
|
| 322 |
+
# it's easier
|
| 323 |
+
if bounds is None:
|
| 324 |
+
pass
|
| 325 |
+
elif len(bounds) != n:
|
| 326 |
+
raise ValueError('length of x0 != length of bounds')
|
| 327 |
+
else:
|
| 328 |
+
bounds = np.array(old_bound_to_new(bounds))
|
| 329 |
+
|
| 330 |
+
# check bounds
|
| 331 |
+
if (bounds[0] > bounds[1]).any():
|
| 332 |
+
raise ValueError(
|
| 333 |
+
"LBFGSB - one of the lower bounds is greater than an upper bound."
|
| 334 |
+
)
|
| 335 |
+
|
| 336 |
+
# initial vector must lie within the bounds. Otherwise ScalarFunction and
|
| 337 |
+
# approx_derivative will cause problems
|
| 338 |
+
x0 = np.clip(x0, bounds[0], bounds[1])
|
| 339 |
+
|
| 340 |
+
if disp is not None:
|
| 341 |
+
if disp == 0:
|
| 342 |
+
iprint = -1
|
| 343 |
+
else:
|
| 344 |
+
iprint = disp
|
| 345 |
+
|
| 346 |
+
# _prepare_scalar_function can use bounds=None to represent no bounds
|
| 347 |
+
sf = _prepare_scalar_function(fun, x0, jac=jac, args=args, epsilon=eps,
|
| 348 |
+
bounds=bounds,
|
| 349 |
+
finite_diff_rel_step=finite_diff_rel_step)
|
| 350 |
+
|
| 351 |
+
func_and_grad = sf.fun_and_grad
|
| 352 |
+
|
| 353 |
+
fortran_int = _lbfgsb.types.intvar.dtype
|
| 354 |
+
|
| 355 |
+
nbd = zeros(n, fortran_int)
|
| 356 |
+
low_bnd = zeros(n, float64)
|
| 357 |
+
upper_bnd = zeros(n, float64)
|
| 358 |
+
bounds_map = {(-np.inf, np.inf): 0,
|
| 359 |
+
(1, np.inf): 1,
|
| 360 |
+
(1, 1): 2,
|
| 361 |
+
(-np.inf, 1): 3}
|
| 362 |
+
|
| 363 |
+
if bounds is not None:
|
| 364 |
+
for i in range(0, n):
|
| 365 |
+
l, u = bounds[0, i], bounds[1, i]
|
| 366 |
+
if not np.isinf(l):
|
| 367 |
+
low_bnd[i] = l
|
| 368 |
+
l = 1
|
| 369 |
+
if not np.isinf(u):
|
| 370 |
+
upper_bnd[i] = u
|
| 371 |
+
u = 1
|
| 372 |
+
nbd[i] = bounds_map[l, u]
|
| 373 |
+
|
| 374 |
+
if not maxls > 0:
|
| 375 |
+
raise ValueError('maxls must be positive.')
|
| 376 |
+
|
| 377 |
+
x = array(x0, float64)
|
| 378 |
+
f = array(0.0, float64)
|
| 379 |
+
g = zeros((n,), float64)
|
| 380 |
+
wa = zeros(2*m*n + 5*n + 11*m*m + 8*m, float64)
|
| 381 |
+
iwa = zeros(3*n, fortran_int)
|
| 382 |
+
task = zeros(1, 'S60')
|
| 383 |
+
csave = zeros(1, 'S60')
|
| 384 |
+
lsave = zeros(4, fortran_int)
|
| 385 |
+
isave = zeros(44, fortran_int)
|
| 386 |
+
dsave = zeros(29, float64)
|
| 387 |
+
|
| 388 |
+
task[:] = 'START'
|
| 389 |
+
|
| 390 |
+
n_iterations = 0
|
| 391 |
+
|
| 392 |
+
while 1:
|
| 393 |
+
# g may become float32 if a user provides a function that calculates
|
| 394 |
+
# the Jacobian in float32 (see gh-18730). The underlying Fortran code
|
| 395 |
+
# expects float64, so upcast it
|
| 396 |
+
g = g.astype(np.float64)
|
| 397 |
+
# x, f, g, wa, iwa, task, csave, lsave, isave, dsave = \
|
| 398 |
+
_lbfgsb.setulb(m, x, low_bnd, upper_bnd, nbd, f, g, factr,
|
| 399 |
+
pgtol, wa, iwa, task, iprint, csave, lsave,
|
| 400 |
+
isave, dsave, maxls)
|
| 401 |
+
task_str = task.tobytes()
|
| 402 |
+
if task_str.startswith(b'FG'):
|
| 403 |
+
# The minimization routine wants f and g at the current x.
|
| 404 |
+
# Note that interruptions due to maxfun are postponed
|
| 405 |
+
# until the completion of the current minimization iteration.
|
| 406 |
+
# Overwrite f and g:
|
| 407 |
+
f, g = func_and_grad(x)
|
| 408 |
+
elif task_str.startswith(b'NEW_X'):
|
| 409 |
+
# new iteration
|
| 410 |
+
n_iterations += 1
|
| 411 |
+
|
| 412 |
+
intermediate_result = OptimizeResult(x=x, fun=f)
|
| 413 |
+
if _call_callback_maybe_halt(callback, intermediate_result):
|
| 414 |
+
task[:] = 'STOP: CALLBACK REQUESTED HALT'
|
| 415 |
+
if n_iterations >= maxiter:
|
| 416 |
+
task[:] = 'STOP: TOTAL NO. of ITERATIONS REACHED LIMIT'
|
| 417 |
+
elif sf.nfev > maxfun:
|
| 418 |
+
task[:] = ('STOP: TOTAL NO. of f AND g EVALUATIONS '
|
| 419 |
+
'EXCEEDS LIMIT')
|
| 420 |
+
else:
|
| 421 |
+
break
|
| 422 |
+
|
| 423 |
+
task_str = task.tobytes().strip(b'\x00').strip()
|
| 424 |
+
if task_str.startswith(b'CONV'):
|
| 425 |
+
warnflag = 0
|
| 426 |
+
elif sf.nfev > maxfun or n_iterations >= maxiter:
|
| 427 |
+
warnflag = 1
|
| 428 |
+
else:
|
| 429 |
+
warnflag = 2
|
| 430 |
+
|
| 431 |
+
# These two portions of the workspace are described in the mainlb
|
| 432 |
+
# subroutine in lbfgsb.f. See line 363.
|
| 433 |
+
s = wa[0: m*n].reshape(m, n)
|
| 434 |
+
y = wa[m*n: 2*m*n].reshape(m, n)
|
| 435 |
+
|
| 436 |
+
# See lbfgsb.f line 160 for this portion of the workspace.
|
| 437 |
+
# isave(31) = the total number of BFGS updates prior the current iteration;
|
| 438 |
+
n_bfgs_updates = isave[30]
|
| 439 |
+
|
| 440 |
+
n_corrs = min(n_bfgs_updates, maxcor)
|
| 441 |
+
hess_inv = LbfgsInvHessProduct(s[:n_corrs], y[:n_corrs])
|
| 442 |
+
|
| 443 |
+
task_str = task_str.decode()
|
| 444 |
+
return OptimizeResult(fun=f, jac=g, nfev=sf.nfev,
|
| 445 |
+
njev=sf.ngev,
|
| 446 |
+
nit=n_iterations, status=warnflag, message=task_str,
|
| 447 |
+
x=x, success=(warnflag == 0), hess_inv=hess_inv)
|
| 448 |
+
|
| 449 |
+
|
| 450 |
+
class LbfgsInvHessProduct(LinearOperator):
|
| 451 |
+
"""Linear operator for the L-BFGS approximate inverse Hessian.
|
| 452 |
+
|
| 453 |
+
This operator computes the product of a vector with the approximate inverse
|
| 454 |
+
of the Hessian of the objective function, using the L-BFGS limited
|
| 455 |
+
memory approximation to the inverse Hessian, accumulated during the
|
| 456 |
+
optimization.
|
| 457 |
+
|
| 458 |
+
Objects of this class implement the ``scipy.sparse.linalg.LinearOperator``
|
| 459 |
+
interface.
|
| 460 |
+
|
| 461 |
+
Parameters
|
| 462 |
+
----------
|
| 463 |
+
sk : array_like, shape=(n_corr, n)
|
| 464 |
+
Array of `n_corr` most recent updates to the solution vector.
|
| 465 |
+
(See [1]).
|
| 466 |
+
yk : array_like, shape=(n_corr, n)
|
| 467 |
+
Array of `n_corr` most recent updates to the gradient. (See [1]).
|
| 468 |
+
|
| 469 |
+
References
|
| 470 |
+
----------
|
| 471 |
+
.. [1] Nocedal, Jorge. "Updating quasi-Newton matrices with limited
|
| 472 |
+
storage." Mathematics of computation 35.151 (1980): 773-782.
|
| 473 |
+
|
| 474 |
+
"""
|
| 475 |
+
|
| 476 |
+
def __init__(self, sk, yk):
|
| 477 |
+
"""Construct the operator."""
|
| 478 |
+
if sk.shape != yk.shape or sk.ndim != 2:
|
| 479 |
+
raise ValueError('sk and yk must have matching shape, (n_corrs, n)')
|
| 480 |
+
n_corrs, n = sk.shape
|
| 481 |
+
|
| 482 |
+
super().__init__(dtype=np.float64, shape=(n, n))
|
| 483 |
+
|
| 484 |
+
self.sk = sk
|
| 485 |
+
self.yk = yk
|
| 486 |
+
self.n_corrs = n_corrs
|
| 487 |
+
self.rho = 1 / np.einsum('ij,ij->i', sk, yk)
|
| 488 |
+
|
| 489 |
+
def _matvec(self, x):
|
| 490 |
+
"""Efficient matrix-vector multiply with the BFGS matrices.
|
| 491 |
+
|
| 492 |
+
This calculation is described in Section (4) of [1].
|
| 493 |
+
|
| 494 |
+
Parameters
|
| 495 |
+
----------
|
| 496 |
+
x : ndarray
|
| 497 |
+
An array with shape (n,) or (n,1).
|
| 498 |
+
|
| 499 |
+
Returns
|
| 500 |
+
-------
|
| 501 |
+
y : ndarray
|
| 502 |
+
The matrix-vector product
|
| 503 |
+
|
| 504 |
+
"""
|
| 505 |
+
s, y, n_corrs, rho = self.sk, self.yk, self.n_corrs, self.rho
|
| 506 |
+
q = np.array(x, dtype=self.dtype, copy=True)
|
| 507 |
+
if q.ndim == 2 and q.shape[1] == 1:
|
| 508 |
+
q = q.reshape(-1)
|
| 509 |
+
|
| 510 |
+
alpha = np.empty(n_corrs)
|
| 511 |
+
|
| 512 |
+
for i in range(n_corrs-1, -1, -1):
|
| 513 |
+
alpha[i] = rho[i] * np.dot(s[i], q)
|
| 514 |
+
q = q - alpha[i]*y[i]
|
| 515 |
+
|
| 516 |
+
r = q
|
| 517 |
+
for i in range(n_corrs):
|
| 518 |
+
beta = rho[i] * np.dot(y[i], r)
|
| 519 |
+
r = r + s[i] * (alpha[i] - beta)
|
| 520 |
+
|
| 521 |
+
return r
|
| 522 |
+
|
| 523 |
+
def todense(self):
|
| 524 |
+
"""Return a dense array representation of this operator.
|
| 525 |
+
|
| 526 |
+
Returns
|
| 527 |
+
-------
|
| 528 |
+
arr : ndarray, shape=(n, n)
|
| 529 |
+
An array with the same shape and containing
|
| 530 |
+
the same data represented by this `LinearOperator`.
|
| 531 |
+
|
| 532 |
+
"""
|
| 533 |
+
s, y, n_corrs, rho = self.sk, self.yk, self.n_corrs, self.rho
|
| 534 |
+
I = np.eye(*self.shape, dtype=self.dtype)
|
| 535 |
+
Hk = I
|
| 536 |
+
|
| 537 |
+
for i in range(n_corrs):
|
| 538 |
+
A1 = I - s[i][:, np.newaxis] * y[i][np.newaxis, :] * rho[i]
|
| 539 |
+
A2 = I - y[i][:, np.newaxis] * s[i][np.newaxis, :] * rho[i]
|
| 540 |
+
|
| 541 |
+
Hk = np.dot(A1, np.dot(Hk, A2)) + (rho[i] * s[i][:, np.newaxis] *
|
| 542 |
+
s[i][np.newaxis, :])
|
| 543 |
+
return Hk
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog.py
ADDED
|
@@ -0,0 +1,716 @@
|
|
|
|
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|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
"""
|
| 2 |
+
A top-level linear programming interface.
|
| 3 |
+
|
| 4 |
+
.. versionadded:: 0.15.0
|
| 5 |
+
|
| 6 |
+
Functions
|
| 7 |
+
---------
|
| 8 |
+
.. autosummary::
|
| 9 |
+
:toctree: generated/
|
| 10 |
+
|
| 11 |
+
linprog
|
| 12 |
+
linprog_verbose_callback
|
| 13 |
+
linprog_terse_callback
|
| 14 |
+
|
| 15 |
+
"""
|
| 16 |
+
|
| 17 |
+
import numpy as np
|
| 18 |
+
|
| 19 |
+
from ._optimize import OptimizeResult, OptimizeWarning
|
| 20 |
+
from warnings import warn
|
| 21 |
+
from ._linprog_highs import _linprog_highs
|
| 22 |
+
from ._linprog_ip import _linprog_ip
|
| 23 |
+
from ._linprog_simplex import _linprog_simplex
|
| 24 |
+
from ._linprog_rs import _linprog_rs
|
| 25 |
+
from ._linprog_doc import (_linprog_highs_doc, _linprog_ip_doc, # noqa: F401
|
| 26 |
+
_linprog_rs_doc, _linprog_simplex_doc,
|
| 27 |
+
_linprog_highs_ipm_doc, _linprog_highs_ds_doc)
|
| 28 |
+
from ._linprog_util import (
|
| 29 |
+
_parse_linprog, _presolve, _get_Abc, _LPProblem, _autoscale,
|
| 30 |
+
_postsolve, _check_result, _display_summary)
|
| 31 |
+
from copy import deepcopy
|
| 32 |
+
|
| 33 |
+
__all__ = ['linprog', 'linprog_verbose_callback', 'linprog_terse_callback']
|
| 34 |
+
|
| 35 |
+
__docformat__ = "restructuredtext en"
|
| 36 |
+
|
| 37 |
+
LINPROG_METHODS = [
|
| 38 |
+
'simplex', 'revised simplex', 'interior-point', 'highs', 'highs-ds', 'highs-ipm'
|
| 39 |
+
]
|
| 40 |
+
|
| 41 |
+
|
| 42 |
+
def linprog_verbose_callback(res):
|
| 43 |
+
"""
|
| 44 |
+
A sample callback function demonstrating the linprog callback interface.
|
| 45 |
+
This callback produces detailed output to sys.stdout before each iteration
|
| 46 |
+
and after the final iteration of the simplex algorithm.
|
| 47 |
+
|
| 48 |
+
Parameters
|
| 49 |
+
----------
|
| 50 |
+
res : A `scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 51 |
+
|
| 52 |
+
x : 1-D array
|
| 53 |
+
The independent variable vector which optimizes the linear
|
| 54 |
+
programming problem.
|
| 55 |
+
fun : float
|
| 56 |
+
Value of the objective function.
|
| 57 |
+
success : bool
|
| 58 |
+
True if the algorithm succeeded in finding an optimal solution.
|
| 59 |
+
slack : 1-D array
|
| 60 |
+
The values of the slack variables. Each slack variable corresponds
|
| 61 |
+
to an inequality constraint. If the slack is zero, then the
|
| 62 |
+
corresponding constraint is active.
|
| 63 |
+
con : 1-D array
|
| 64 |
+
The (nominally zero) residuals of the equality constraints, that is,
|
| 65 |
+
``b - A_eq @ x``
|
| 66 |
+
phase : int
|
| 67 |
+
The phase of the optimization being executed. In phase 1 a basic
|
| 68 |
+
feasible solution is sought and the T has an additional row
|
| 69 |
+
representing an alternate objective function.
|
| 70 |
+
status : int
|
| 71 |
+
An integer representing the exit status of the optimization::
|
| 72 |
+
|
| 73 |
+
0 : Optimization terminated successfully
|
| 74 |
+
1 : Iteration limit reached
|
| 75 |
+
2 : Problem appears to be infeasible
|
| 76 |
+
3 : Problem appears to be unbounded
|
| 77 |
+
4 : Serious numerical difficulties encountered
|
| 78 |
+
|
| 79 |
+
nit : int
|
| 80 |
+
The number of iterations performed.
|
| 81 |
+
message : str
|
| 82 |
+
A string descriptor of the exit status of the optimization.
|
| 83 |
+
"""
|
| 84 |
+
x = res['x']
|
| 85 |
+
fun = res['fun']
|
| 86 |
+
phase = res['phase']
|
| 87 |
+
status = res['status']
|
| 88 |
+
nit = res['nit']
|
| 89 |
+
message = res['message']
|
| 90 |
+
complete = res['complete']
|
| 91 |
+
|
| 92 |
+
saved_printoptions = np.get_printoptions()
|
| 93 |
+
np.set_printoptions(linewidth=500,
|
| 94 |
+
formatter={'float': lambda x: f"{x: 12.4f}"})
|
| 95 |
+
if status:
|
| 96 |
+
print('--------- Simplex Early Exit -------\n')
|
| 97 |
+
print(f'The simplex method exited early with status {status:d}')
|
| 98 |
+
print(message)
|
| 99 |
+
elif complete:
|
| 100 |
+
print('--------- Simplex Complete --------\n')
|
| 101 |
+
print(f'Iterations required: {nit}')
|
| 102 |
+
else:
|
| 103 |
+
print(f'--------- Iteration {nit:d} ---------\n')
|
| 104 |
+
|
| 105 |
+
if nit > 0:
|
| 106 |
+
if phase == 1:
|
| 107 |
+
print('Current Pseudo-Objective Value:')
|
| 108 |
+
else:
|
| 109 |
+
print('Current Objective Value:')
|
| 110 |
+
print('f = ', fun)
|
| 111 |
+
print()
|
| 112 |
+
print('Current Solution Vector:')
|
| 113 |
+
print('x = ', x)
|
| 114 |
+
print()
|
| 115 |
+
|
| 116 |
+
np.set_printoptions(**saved_printoptions)
|
| 117 |
+
|
| 118 |
+
|
| 119 |
+
def linprog_terse_callback(res):
|
| 120 |
+
"""
|
| 121 |
+
A sample callback function demonstrating the linprog callback interface.
|
| 122 |
+
This callback produces brief output to sys.stdout before each iteration
|
| 123 |
+
and after the final iteration of the simplex algorithm.
|
| 124 |
+
|
| 125 |
+
Parameters
|
| 126 |
+
----------
|
| 127 |
+
res : A `scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 128 |
+
|
| 129 |
+
x : 1-D array
|
| 130 |
+
The independent variable vector which optimizes the linear
|
| 131 |
+
programming problem.
|
| 132 |
+
fun : float
|
| 133 |
+
Value of the objective function.
|
| 134 |
+
success : bool
|
| 135 |
+
True if the algorithm succeeded in finding an optimal solution.
|
| 136 |
+
slack : 1-D array
|
| 137 |
+
The values of the slack variables. Each slack variable corresponds
|
| 138 |
+
to an inequality constraint. If the slack is zero, then the
|
| 139 |
+
corresponding constraint is active.
|
| 140 |
+
con : 1-D array
|
| 141 |
+
The (nominally zero) residuals of the equality constraints, that is,
|
| 142 |
+
``b - A_eq @ x``.
|
| 143 |
+
phase : int
|
| 144 |
+
The phase of the optimization being executed. In phase 1 a basic
|
| 145 |
+
feasible solution is sought and the T has an additional row
|
| 146 |
+
representing an alternate objective function.
|
| 147 |
+
status : int
|
| 148 |
+
An integer representing the exit status of the optimization::
|
| 149 |
+
|
| 150 |
+
0 : Optimization terminated successfully
|
| 151 |
+
1 : Iteration limit reached
|
| 152 |
+
2 : Problem appears to be infeasible
|
| 153 |
+
3 : Problem appears to be unbounded
|
| 154 |
+
4 : Serious numerical difficulties encountered
|
| 155 |
+
|
| 156 |
+
nit : int
|
| 157 |
+
The number of iterations performed.
|
| 158 |
+
message : str
|
| 159 |
+
A string descriptor of the exit status of the optimization.
|
| 160 |
+
"""
|
| 161 |
+
nit = res['nit']
|
| 162 |
+
x = res['x']
|
| 163 |
+
|
| 164 |
+
if nit == 0:
|
| 165 |
+
print("Iter: X:")
|
| 166 |
+
print(f"{nit: <5d} ", end="")
|
| 167 |
+
print(x)
|
| 168 |
+
|
| 169 |
+
|
| 170 |
+
def linprog(c, A_ub=None, b_ub=None, A_eq=None, b_eq=None,
|
| 171 |
+
bounds=(0, None), method='highs', callback=None,
|
| 172 |
+
options=None, x0=None, integrality=None):
|
| 173 |
+
r"""
|
| 174 |
+
Linear programming: minimize a linear objective function subject to linear
|
| 175 |
+
equality and inequality constraints.
|
| 176 |
+
|
| 177 |
+
Linear programming solves problems of the following form:
|
| 178 |
+
|
| 179 |
+
.. math::
|
| 180 |
+
|
| 181 |
+
\min_x \ & c^T x \\
|
| 182 |
+
\mbox{such that} \ & A_{ub} x \leq b_{ub},\\
|
| 183 |
+
& A_{eq} x = b_{eq},\\
|
| 184 |
+
& l \leq x \leq u ,
|
| 185 |
+
|
| 186 |
+
where :math:`x` is a vector of decision variables; :math:`c`,
|
| 187 |
+
:math:`b_{ub}`, :math:`b_{eq}`, :math:`l`, and :math:`u` are vectors; and
|
| 188 |
+
:math:`A_{ub}` and :math:`A_{eq}` are matrices.
|
| 189 |
+
|
| 190 |
+
Alternatively, that's:
|
| 191 |
+
|
| 192 |
+
- minimize ::
|
| 193 |
+
|
| 194 |
+
c @ x
|
| 195 |
+
|
| 196 |
+
- such that ::
|
| 197 |
+
|
| 198 |
+
A_ub @ x <= b_ub
|
| 199 |
+
A_eq @ x == b_eq
|
| 200 |
+
lb <= x <= ub
|
| 201 |
+
|
| 202 |
+
Note that by default ``lb = 0`` and ``ub = None``. Other bounds can be
|
| 203 |
+
specified with ``bounds``.
|
| 204 |
+
|
| 205 |
+
Parameters
|
| 206 |
+
----------
|
| 207 |
+
c : 1-D array
|
| 208 |
+
The coefficients of the linear objective function to be minimized.
|
| 209 |
+
A_ub : 2-D array, optional
|
| 210 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 211 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 212 |
+
b_ub : 1-D array, optional
|
| 213 |
+
The inequality constraint vector. Each element represents an
|
| 214 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 215 |
+
A_eq : 2-D array, optional
|
| 216 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 217 |
+
coefficients of a linear equality constraint on ``x``.
|
| 218 |
+
b_eq : 1-D array, optional
|
| 219 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 220 |
+
the corresponding element of ``b_eq``.
|
| 221 |
+
bounds : sequence, optional
|
| 222 |
+
A sequence of ``(min, max)`` pairs for each element in ``x``, defining
|
| 223 |
+
the minimum and maximum values of that decision variable.
|
| 224 |
+
If a single tuple ``(min, max)`` is provided, then ``min`` and ``max``
|
| 225 |
+
will serve as bounds for all decision variables.
|
| 226 |
+
Use ``None`` to indicate that there is no bound. For instance, the
|
| 227 |
+
default bound ``(0, None)`` means that all decision variables are
|
| 228 |
+
non-negative, and the pair ``(None, None)`` means no bounds at all,
|
| 229 |
+
i.e. all variables are allowed to be any real.
|
| 230 |
+
method : str, optional
|
| 231 |
+
The algorithm used to solve the standard form problem.
|
| 232 |
+
:ref:`'highs' <optimize.linprog-highs>` (default),
|
| 233 |
+
:ref:`'highs-ds' <optimize.linprog-highs-ds>`,
|
| 234 |
+
:ref:`'highs-ipm' <optimize.linprog-highs-ipm>`,
|
| 235 |
+
:ref:`'interior-point' <optimize.linprog-interior-point>` (legacy),
|
| 236 |
+
:ref:`'revised simplex' <optimize.linprog-revised_simplex>` (legacy),
|
| 237 |
+
and
|
| 238 |
+
:ref:`'simplex' <optimize.linprog-simplex>` (legacy) are supported.
|
| 239 |
+
The legacy methods are deprecated and will be removed in SciPy 1.11.0.
|
| 240 |
+
callback : callable, optional
|
| 241 |
+
If a callback function is provided, it will be called at least once per
|
| 242 |
+
iteration of the algorithm. The callback function must accept a single
|
| 243 |
+
`scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 244 |
+
|
| 245 |
+
x : 1-D array
|
| 246 |
+
The current solution vector.
|
| 247 |
+
fun : float
|
| 248 |
+
The current value of the objective function ``c @ x``.
|
| 249 |
+
success : bool
|
| 250 |
+
``True`` when the algorithm has completed successfully.
|
| 251 |
+
slack : 1-D array
|
| 252 |
+
The (nominally positive) values of the slack,
|
| 253 |
+
``b_ub - A_ub @ x``.
|
| 254 |
+
con : 1-D array
|
| 255 |
+
The (nominally zero) residuals of the equality constraints,
|
| 256 |
+
``b_eq - A_eq @ x``.
|
| 257 |
+
phase : int
|
| 258 |
+
The phase of the algorithm being executed.
|
| 259 |
+
status : int
|
| 260 |
+
An integer representing the status of the algorithm.
|
| 261 |
+
|
| 262 |
+
``0`` : Optimization proceeding nominally.
|
| 263 |
+
|
| 264 |
+
``1`` : Iteration limit reached.
|
| 265 |
+
|
| 266 |
+
``2`` : Problem appears to be infeasible.
|
| 267 |
+
|
| 268 |
+
``3`` : Problem appears to be unbounded.
|
| 269 |
+
|
| 270 |
+
``4`` : Numerical difficulties encountered.
|
| 271 |
+
|
| 272 |
+
nit : int
|
| 273 |
+
The current iteration number.
|
| 274 |
+
message : str
|
| 275 |
+
A string descriptor of the algorithm status.
|
| 276 |
+
|
| 277 |
+
Callback functions are not currently supported by the HiGHS methods.
|
| 278 |
+
|
| 279 |
+
options : dict, optional
|
| 280 |
+
A dictionary of solver options. All methods accept the following
|
| 281 |
+
options:
|
| 282 |
+
|
| 283 |
+
maxiter : int
|
| 284 |
+
Maximum number of iterations to perform.
|
| 285 |
+
Default: see method-specific documentation.
|
| 286 |
+
disp : bool
|
| 287 |
+
Set to ``True`` to print convergence messages.
|
| 288 |
+
Default: ``False``.
|
| 289 |
+
presolve : bool
|
| 290 |
+
Set to ``False`` to disable automatic presolve.
|
| 291 |
+
Default: ``True``.
|
| 292 |
+
|
| 293 |
+
All methods except the HiGHS solvers also accept:
|
| 294 |
+
|
| 295 |
+
tol : float
|
| 296 |
+
A tolerance which determines when a residual is "close enough" to
|
| 297 |
+
zero to be considered exactly zero.
|
| 298 |
+
autoscale : bool
|
| 299 |
+
Set to ``True`` to automatically perform equilibration.
|
| 300 |
+
Consider using this option if the numerical values in the
|
| 301 |
+
constraints are separated by several orders of magnitude.
|
| 302 |
+
Default: ``False``.
|
| 303 |
+
rr : bool
|
| 304 |
+
Set to ``False`` to disable automatic redundancy removal.
|
| 305 |
+
Default: ``True``.
|
| 306 |
+
rr_method : string
|
| 307 |
+
Method used to identify and remove redundant rows from the
|
| 308 |
+
equality constraint matrix after presolve. For problems with
|
| 309 |
+
dense input, the available methods for redundancy removal are:
|
| 310 |
+
|
| 311 |
+
"SVD":
|
| 312 |
+
Repeatedly performs singular value decomposition on
|
| 313 |
+
the matrix, detecting redundant rows based on nonzeros
|
| 314 |
+
in the left singular vectors that correspond with
|
| 315 |
+
zero singular values. May be fast when the matrix is
|
| 316 |
+
nearly full rank.
|
| 317 |
+
"pivot":
|
| 318 |
+
Uses the algorithm presented in [5]_ to identify
|
| 319 |
+
redundant rows.
|
| 320 |
+
"ID":
|
| 321 |
+
Uses a randomized interpolative decomposition.
|
| 322 |
+
Identifies columns of the matrix transpose not used in
|
| 323 |
+
a full-rank interpolative decomposition of the matrix.
|
| 324 |
+
None:
|
| 325 |
+
Uses "svd" if the matrix is nearly full rank, that is,
|
| 326 |
+
the difference between the matrix rank and the number
|
| 327 |
+
of rows is less than five. If not, uses "pivot". The
|
| 328 |
+
behavior of this default is subject to change without
|
| 329 |
+
prior notice.
|
| 330 |
+
|
| 331 |
+
Default: None.
|
| 332 |
+
For problems with sparse input, this option is ignored, and the
|
| 333 |
+
pivot-based algorithm presented in [5]_ is used.
|
| 334 |
+
|
| 335 |
+
For method-specific options, see
|
| 336 |
+
:func:`show_options('linprog') <show_options>`.
|
| 337 |
+
|
| 338 |
+
x0 : 1-D array, optional
|
| 339 |
+
Guess values of the decision variables, which will be refined by
|
| 340 |
+
the optimization algorithm. This argument is currently used only by the
|
| 341 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 342 |
+
basic feasible solution.
|
| 343 |
+
|
| 344 |
+
integrality : 1-D array or int, optional
|
| 345 |
+
Indicates the type of integrality constraint on each decision variable.
|
| 346 |
+
|
| 347 |
+
``0`` : Continuous variable; no integrality constraint.
|
| 348 |
+
|
| 349 |
+
``1`` : Integer variable; decision variable must be an integer
|
| 350 |
+
within `bounds`.
|
| 351 |
+
|
| 352 |
+
``2`` : Semi-continuous variable; decision variable must be within
|
| 353 |
+
`bounds` or take value ``0``.
|
| 354 |
+
|
| 355 |
+
``3`` : Semi-integer variable; decision variable must be an integer
|
| 356 |
+
within `bounds` or take value ``0``.
|
| 357 |
+
|
| 358 |
+
By default, all variables are continuous.
|
| 359 |
+
|
| 360 |
+
For mixed integrality constraints, supply an array of shape `c.shape`.
|
| 361 |
+
To infer a constraint on each decision variable from shorter inputs,
|
| 362 |
+
the argument will be broadcasted to `c.shape` using `np.broadcast_to`.
|
| 363 |
+
|
| 364 |
+
This argument is currently used only by the ``'highs'`` method and
|
| 365 |
+
ignored otherwise.
|
| 366 |
+
|
| 367 |
+
Returns
|
| 368 |
+
-------
|
| 369 |
+
res : OptimizeResult
|
| 370 |
+
A :class:`scipy.optimize.OptimizeResult` consisting of the fields
|
| 371 |
+
below. Note that the return types of the fields may depend on whether
|
| 372 |
+
the optimization was successful, therefore it is recommended to check
|
| 373 |
+
`OptimizeResult.status` before relying on the other fields:
|
| 374 |
+
|
| 375 |
+
x : 1-D array
|
| 376 |
+
The values of the decision variables that minimizes the
|
| 377 |
+
objective function while satisfying the constraints.
|
| 378 |
+
fun : float
|
| 379 |
+
The optimal value of the objective function ``c @ x``.
|
| 380 |
+
slack : 1-D array
|
| 381 |
+
The (nominally positive) values of the slack variables,
|
| 382 |
+
``b_ub - A_ub @ x``.
|
| 383 |
+
con : 1-D array
|
| 384 |
+
The (nominally zero) residuals of the equality constraints,
|
| 385 |
+
``b_eq - A_eq @ x``.
|
| 386 |
+
success : bool
|
| 387 |
+
``True`` when the algorithm succeeds in finding an optimal
|
| 388 |
+
solution.
|
| 389 |
+
status : int
|
| 390 |
+
An integer representing the exit status of the algorithm.
|
| 391 |
+
|
| 392 |
+
``0`` : Optimization terminated successfully.
|
| 393 |
+
|
| 394 |
+
``1`` : Iteration limit reached.
|
| 395 |
+
|
| 396 |
+
``2`` : Problem appears to be infeasible.
|
| 397 |
+
|
| 398 |
+
``3`` : Problem appears to be unbounded.
|
| 399 |
+
|
| 400 |
+
``4`` : Numerical difficulties encountered.
|
| 401 |
+
|
| 402 |
+
nit : int
|
| 403 |
+
The total number of iterations performed in all phases.
|
| 404 |
+
message : str
|
| 405 |
+
A string descriptor of the exit status of the algorithm.
|
| 406 |
+
|
| 407 |
+
See Also
|
| 408 |
+
--------
|
| 409 |
+
show_options : Additional options accepted by the solvers.
|
| 410 |
+
|
| 411 |
+
Notes
|
| 412 |
+
-----
|
| 413 |
+
This section describes the available solvers that can be selected by the
|
| 414 |
+
'method' parameter.
|
| 415 |
+
|
| 416 |
+
`'highs-ds'` and
|
| 417 |
+
`'highs-ipm'` are interfaces to the
|
| 418 |
+
HiGHS simplex and interior-point method solvers [13]_, respectively.
|
| 419 |
+
`'highs'` (default) chooses between
|
| 420 |
+
the two automatically. These are the fastest linear
|
| 421 |
+
programming solvers in SciPy, especially for large, sparse problems;
|
| 422 |
+
which of these two is faster is problem-dependent.
|
| 423 |
+
The other solvers (`'interior-point'`, `'revised simplex'`, and
|
| 424 |
+
`'simplex'`) are legacy methods and will be removed in SciPy 1.11.0.
|
| 425 |
+
|
| 426 |
+
Method *highs-ds* is a wrapper of the C++ high performance dual
|
| 427 |
+
revised simplex implementation (HSOL) [13]_, [14]_. Method *highs-ipm*
|
| 428 |
+
is a wrapper of a C++ implementation of an **i**\ nterior-\ **p**\ oint
|
| 429 |
+
**m**\ ethod [13]_; it features a crossover routine, so it is as accurate
|
| 430 |
+
as a simplex solver. Method *highs* chooses between the two automatically.
|
| 431 |
+
For new code involving `linprog`, we recommend explicitly choosing one of
|
| 432 |
+
these three method values.
|
| 433 |
+
|
| 434 |
+
.. versionadded:: 1.6.0
|
| 435 |
+
|
| 436 |
+
Method *interior-point* uses the primal-dual path following algorithm
|
| 437 |
+
as outlined in [4]_. This algorithm supports sparse constraint matrices and
|
| 438 |
+
is typically faster than the simplex methods, especially for large, sparse
|
| 439 |
+
problems. Note, however, that the solution returned may be slightly less
|
| 440 |
+
accurate than those of the simplex methods and will not, in general,
|
| 441 |
+
correspond with a vertex of the polytope defined by the constraints.
|
| 442 |
+
|
| 443 |
+
.. versionadded:: 1.0.0
|
| 444 |
+
|
| 445 |
+
Method *revised simplex* uses the revised simplex method as described in
|
| 446 |
+
[9]_, except that a factorization [11]_ of the basis matrix, rather than
|
| 447 |
+
its inverse, is efficiently maintained and used to solve the linear systems
|
| 448 |
+
at each iteration of the algorithm.
|
| 449 |
+
|
| 450 |
+
.. versionadded:: 1.3.0
|
| 451 |
+
|
| 452 |
+
Method *simplex* uses a traditional, full-tableau implementation of
|
| 453 |
+
Dantzig's simplex algorithm [1]_, [2]_ (*not* the
|
| 454 |
+
Nelder-Mead simplex). This algorithm is included for backwards
|
| 455 |
+
compatibility and educational purposes.
|
| 456 |
+
|
| 457 |
+
.. versionadded:: 0.15.0
|
| 458 |
+
|
| 459 |
+
Before applying *interior-point*, *revised simplex*, or *simplex*,
|
| 460 |
+
a presolve procedure based on [8]_ attempts
|
| 461 |
+
to identify trivial infeasibilities, trivial unboundedness, and potential
|
| 462 |
+
problem simplifications. Specifically, it checks for:
|
| 463 |
+
|
| 464 |
+
- rows of zeros in ``A_eq`` or ``A_ub``, representing trivial constraints;
|
| 465 |
+
- columns of zeros in ``A_eq`` `and` ``A_ub``, representing unconstrained
|
| 466 |
+
variables;
|
| 467 |
+
- column singletons in ``A_eq``, representing fixed variables; and
|
| 468 |
+
- column singletons in ``A_ub``, representing simple bounds.
|
| 469 |
+
|
| 470 |
+
If presolve reveals that the problem is unbounded (e.g. an unconstrained
|
| 471 |
+
and unbounded variable has negative cost) or infeasible (e.g., a row of
|
| 472 |
+
zeros in ``A_eq`` corresponds with a nonzero in ``b_eq``), the solver
|
| 473 |
+
terminates with the appropriate status code. Note that presolve terminates
|
| 474 |
+
as soon as any sign of unboundedness is detected; consequently, a problem
|
| 475 |
+
may be reported as unbounded when in reality the problem is infeasible
|
| 476 |
+
(but infeasibility has not been detected yet). Therefore, if it is
|
| 477 |
+
important to know whether the problem is actually infeasible, solve the
|
| 478 |
+
problem again with option ``presolve=False``.
|
| 479 |
+
|
| 480 |
+
If neither infeasibility nor unboundedness are detected in a single pass
|
| 481 |
+
of the presolve, bounds are tightened where possible and fixed
|
| 482 |
+
variables are removed from the problem. Then, linearly dependent rows
|
| 483 |
+
of the ``A_eq`` matrix are removed, (unless they represent an
|
| 484 |
+
infeasibility) to avoid numerical difficulties in the primary solve
|
| 485 |
+
routine. Note that rows that are nearly linearly dependent (within a
|
| 486 |
+
prescribed tolerance) may also be removed, which can change the optimal
|
| 487 |
+
solution in rare cases. If this is a concern, eliminate redundancy from
|
| 488 |
+
your problem formulation and run with option ``rr=False`` or
|
| 489 |
+
``presolve=False``.
|
| 490 |
+
|
| 491 |
+
Several potential improvements can be made here: additional presolve
|
| 492 |
+
checks outlined in [8]_ should be implemented, the presolve routine should
|
| 493 |
+
be run multiple times (until no further simplifications can be made), and
|
| 494 |
+
more of the efficiency improvements from [5]_ should be implemented in the
|
| 495 |
+
redundancy removal routines.
|
| 496 |
+
|
| 497 |
+
After presolve, the problem is transformed to standard form by converting
|
| 498 |
+
the (tightened) simple bounds to upper bound constraints, introducing
|
| 499 |
+
non-negative slack variables for inequality constraints, and expressing
|
| 500 |
+
unbounded variables as the difference between two non-negative variables.
|
| 501 |
+
Optionally, the problem is automatically scaled via equilibration [12]_.
|
| 502 |
+
The selected algorithm solves the standard form problem, and a
|
| 503 |
+
postprocessing routine converts the result to a solution to the original
|
| 504 |
+
problem.
|
| 505 |
+
|
| 506 |
+
References
|
| 507 |
+
----------
|
| 508 |
+
.. [1] Dantzig, George B., Linear programming and extensions. Rand
|
| 509 |
+
Corporation Research Study Princeton Univ. Press, Princeton, NJ,
|
| 510 |
+
1963
|
| 511 |
+
.. [2] Hillier, S.H. and Lieberman, G.J. (1995), "Introduction to
|
| 512 |
+
Mathematical Programming", McGraw-Hill, Chapter 4.
|
| 513 |
+
.. [3] Bland, Robert G. New finite pivoting rules for the simplex method.
|
| 514 |
+
Mathematics of Operations Research (2), 1977: pp. 103-107.
|
| 515 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 516 |
+
optimizer for linear programming: an implementation of the
|
| 517 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 518 |
+
2000. 197-232.
|
| 519 |
+
.. [5] Andersen, Erling D. "Finding all linearly dependent rows in
|
| 520 |
+
large-scale linear programming." Optimization Methods and Software
|
| 521 |
+
6.3 (1995): 219-227.
|
| 522 |
+
.. [6] Freund, Robert M. "Primal-Dual Interior-Point Methods for Linear
|
| 523 |
+
Programming based on Newton's Method." Unpublished Course Notes,
|
| 524 |
+
March 2004. Available 2/25/2017 at
|
| 525 |
+
https://ocw.mit.edu/courses/sloan-school-of-management/15-084j-nonlinear-programming-spring-2004/lecture-notes/lec14_int_pt_mthd.pdf
|
| 526 |
+
.. [7] Fourer, Robert. "Solving Linear Programs by Interior-Point Methods."
|
| 527 |
+
Unpublished Course Notes, August 26, 2005. Available 2/25/2017 at
|
| 528 |
+
http://www.4er.org/CourseNotes/Book%20B/B-III.pdf
|
| 529 |
+
.. [8] Andersen, Erling D., and Knud D. Andersen. "Presolving in linear
|
| 530 |
+
programming." Mathematical Programming 71.2 (1995): 221-245.
|
| 531 |
+
.. [9] Bertsimas, Dimitris, and J. Tsitsiklis. "Introduction to linear
|
| 532 |
+
programming." Athena Scientific 1 (1997): 997.
|
| 533 |
+
.. [10] Andersen, Erling D., et al. Implementation of interior point
|
| 534 |
+
methods for large scale linear programming. HEC/Universite de
|
| 535 |
+
Geneve, 1996.
|
| 536 |
+
.. [11] Bartels, Richard H. "A stabilization of the simplex method."
|
| 537 |
+
Journal in Numerische Mathematik 16.5 (1971): 414-434.
|
| 538 |
+
.. [12] Tomlin, J. A. "On scaling linear programming problems."
|
| 539 |
+
Mathematical Programming Study 4 (1975): 146-166.
|
| 540 |
+
.. [13] Huangfu, Q., Galabova, I., Feldmeier, M., and Hall, J. A. J.
|
| 541 |
+
"HiGHS - high performance software for linear optimization."
|
| 542 |
+
https://highs.dev/
|
| 543 |
+
.. [14] Huangfu, Q. and Hall, J. A. J. "Parallelizing the dual revised
|
| 544 |
+
simplex method." Mathematical Programming Computation, 10 (1),
|
| 545 |
+
119-142, 2018. DOI: 10.1007/s12532-017-0130-5
|
| 546 |
+
|
| 547 |
+
Examples
|
| 548 |
+
--------
|
| 549 |
+
Consider the following problem:
|
| 550 |
+
|
| 551 |
+
.. math::
|
| 552 |
+
|
| 553 |
+
\min_{x_0, x_1} \ -x_0 + 4x_1 & \\
|
| 554 |
+
\mbox{such that} \ -3x_0 + x_1 & \leq 6,\\
|
| 555 |
+
-x_0 - 2x_1 & \geq -4,\\
|
| 556 |
+
x_1 & \geq -3.
|
| 557 |
+
|
| 558 |
+
The problem is not presented in the form accepted by `linprog`. This is
|
| 559 |
+
easily remedied by converting the "greater than" inequality
|
| 560 |
+
constraint to a "less than" inequality constraint by
|
| 561 |
+
multiplying both sides by a factor of :math:`-1`. Note also that the last
|
| 562 |
+
constraint is really the simple bound :math:`-3 \leq x_1 \leq \infty`.
|
| 563 |
+
Finally, since there are no bounds on :math:`x_0`, we must explicitly
|
| 564 |
+
specify the bounds :math:`-\infty \leq x_0 \leq \infty`, as the
|
| 565 |
+
default is for variables to be non-negative. After collecting coeffecients
|
| 566 |
+
into arrays and tuples, the input for this problem is:
|
| 567 |
+
|
| 568 |
+
>>> from scipy.optimize import linprog
|
| 569 |
+
>>> c = [-1, 4]
|
| 570 |
+
>>> A = [[-3, 1], [1, 2]]
|
| 571 |
+
>>> b = [6, 4]
|
| 572 |
+
>>> x0_bounds = (None, None)
|
| 573 |
+
>>> x1_bounds = (-3, None)
|
| 574 |
+
>>> res = linprog(c, A_ub=A, b_ub=b, bounds=[x0_bounds, x1_bounds])
|
| 575 |
+
>>> res.fun
|
| 576 |
+
-22.0
|
| 577 |
+
>>> res.x
|
| 578 |
+
array([10., -3.])
|
| 579 |
+
>>> res.message
|
| 580 |
+
'Optimization terminated successfully. (HiGHS Status 7: Optimal)'
|
| 581 |
+
|
| 582 |
+
The marginals (AKA dual values / shadow prices / Lagrange multipliers)
|
| 583 |
+
and residuals (slacks) are also available.
|
| 584 |
+
|
| 585 |
+
>>> res.ineqlin
|
| 586 |
+
residual: [ 3.900e+01 0.000e+00]
|
| 587 |
+
marginals: [-0.000e+00 -1.000e+00]
|
| 588 |
+
|
| 589 |
+
For example, because the marginal associated with the second inequality
|
| 590 |
+
constraint is -1, we expect the optimal value of the objective function
|
| 591 |
+
to decrease by ``eps`` if we add a small amount ``eps`` to the right hand
|
| 592 |
+
side of the second inequality constraint:
|
| 593 |
+
|
| 594 |
+
>>> eps = 0.05
|
| 595 |
+
>>> b[1] += eps
|
| 596 |
+
>>> linprog(c, A_ub=A, b_ub=b, bounds=[x0_bounds, x1_bounds]).fun
|
| 597 |
+
-22.05
|
| 598 |
+
|
| 599 |
+
Also, because the residual on the first inequality constraint is 39, we
|
| 600 |
+
can decrease the right hand side of the first constraint by 39 without
|
| 601 |
+
affecting the optimal solution.
|
| 602 |
+
|
| 603 |
+
>>> b = [6, 4] # reset to original values
|
| 604 |
+
>>> b[0] -= 39
|
| 605 |
+
>>> linprog(c, A_ub=A, b_ub=b, bounds=[x0_bounds, x1_bounds]).fun
|
| 606 |
+
-22.0
|
| 607 |
+
|
| 608 |
+
"""
|
| 609 |
+
|
| 610 |
+
meth = method.lower()
|
| 611 |
+
methods = {"highs", "highs-ds", "highs-ipm",
|
| 612 |
+
"simplex", "revised simplex", "interior-point"}
|
| 613 |
+
|
| 614 |
+
if meth not in methods:
|
| 615 |
+
raise ValueError(f"Unknown solver '{method}'")
|
| 616 |
+
|
| 617 |
+
if x0 is not None and meth != "revised simplex":
|
| 618 |
+
warning_message = "x0 is used only when method is 'revised simplex'. "
|
| 619 |
+
warn(warning_message, OptimizeWarning, stacklevel=2)
|
| 620 |
+
|
| 621 |
+
if np.any(integrality) and not meth == "highs":
|
| 622 |
+
integrality = None
|
| 623 |
+
warning_message = ("Only `method='highs'` supports integer "
|
| 624 |
+
"constraints. Ignoring `integrality`.")
|
| 625 |
+
warn(warning_message, OptimizeWarning, stacklevel=2)
|
| 626 |
+
elif np.any(integrality):
|
| 627 |
+
integrality = np.broadcast_to(integrality, np.shape(c))
|
| 628 |
+
else:
|
| 629 |
+
integrality = None
|
| 630 |
+
|
| 631 |
+
lp = _LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0, integrality)
|
| 632 |
+
lp, solver_options = _parse_linprog(lp, options, meth)
|
| 633 |
+
tol = solver_options.get('tol', 1e-9)
|
| 634 |
+
|
| 635 |
+
# Give unmodified problem to HiGHS
|
| 636 |
+
if meth.startswith('highs'):
|
| 637 |
+
if callback is not None:
|
| 638 |
+
raise NotImplementedError("HiGHS solvers do not support the "
|
| 639 |
+
"callback interface.")
|
| 640 |
+
highs_solvers = {'highs-ipm': 'ipm', 'highs-ds': 'simplex',
|
| 641 |
+
'highs': None}
|
| 642 |
+
|
| 643 |
+
sol = _linprog_highs(lp, solver=highs_solvers[meth],
|
| 644 |
+
**solver_options)
|
| 645 |
+
sol['status'], sol['message'] = (
|
| 646 |
+
_check_result(sol['x'], sol['fun'], sol['status'], sol['slack'],
|
| 647 |
+
sol['con'], lp.bounds, tol, sol['message'],
|
| 648 |
+
integrality))
|
| 649 |
+
sol['success'] = sol['status'] == 0
|
| 650 |
+
return OptimizeResult(sol)
|
| 651 |
+
|
| 652 |
+
warn(f"`method='{meth}'` is deprecated and will be removed in SciPy "
|
| 653 |
+
"1.11.0. Please use one of the HiGHS solvers (e.g. "
|
| 654 |
+
"`method='highs'`) in new code.", DeprecationWarning, stacklevel=2)
|
| 655 |
+
|
| 656 |
+
iteration = 0
|
| 657 |
+
complete = False # will become True if solved in presolve
|
| 658 |
+
undo = []
|
| 659 |
+
|
| 660 |
+
# Keep the original arrays to calculate slack/residuals for original
|
| 661 |
+
# problem.
|
| 662 |
+
lp_o = deepcopy(lp)
|
| 663 |
+
|
| 664 |
+
# Solve trivial problem, eliminate variables, tighten bounds, etc.
|
| 665 |
+
rr_method = solver_options.pop('rr_method', None) # need to pop these;
|
| 666 |
+
rr = solver_options.pop('rr', True) # they're not passed to methods
|
| 667 |
+
c0 = 0 # we might get a constant term in the objective
|
| 668 |
+
if solver_options.pop('presolve', True):
|
| 669 |
+
(lp, c0, x, undo, complete, status, message) = _presolve(lp, rr,
|
| 670 |
+
rr_method,
|
| 671 |
+
tol)
|
| 672 |
+
|
| 673 |
+
C, b_scale = 1, 1 # for trivial unscaling if autoscale is not used
|
| 674 |
+
postsolve_args = (lp_o._replace(bounds=lp.bounds), undo, C, b_scale)
|
| 675 |
+
|
| 676 |
+
if not complete:
|
| 677 |
+
A, b, c, c0, x0 = _get_Abc(lp, c0)
|
| 678 |
+
if solver_options.pop('autoscale', False):
|
| 679 |
+
A, b, c, x0, C, b_scale = _autoscale(A, b, c, x0)
|
| 680 |
+
postsolve_args = postsolve_args[:-2] + (C, b_scale)
|
| 681 |
+
|
| 682 |
+
if meth == 'simplex':
|
| 683 |
+
x, status, message, iteration = _linprog_simplex(
|
| 684 |
+
c, c0=c0, A=A, b=b, callback=callback,
|
| 685 |
+
postsolve_args=postsolve_args, **solver_options)
|
| 686 |
+
elif meth == 'interior-point':
|
| 687 |
+
x, status, message, iteration = _linprog_ip(
|
| 688 |
+
c, c0=c0, A=A, b=b, callback=callback,
|
| 689 |
+
postsolve_args=postsolve_args, **solver_options)
|
| 690 |
+
elif meth == 'revised simplex':
|
| 691 |
+
x, status, message, iteration = _linprog_rs(
|
| 692 |
+
c, c0=c0, A=A, b=b, x0=x0, callback=callback,
|
| 693 |
+
postsolve_args=postsolve_args, **solver_options)
|
| 694 |
+
|
| 695 |
+
# Eliminate artificial variables, re-introduce presolved variables, etc.
|
| 696 |
+
disp = solver_options.get('disp', False)
|
| 697 |
+
|
| 698 |
+
x, fun, slack, con = _postsolve(x, postsolve_args, complete)
|
| 699 |
+
|
| 700 |
+
status, message = _check_result(x, fun, status, slack, con, lp_o.bounds,
|
| 701 |
+
tol, message, integrality)
|
| 702 |
+
|
| 703 |
+
if disp:
|
| 704 |
+
_display_summary(message, status, fun, iteration)
|
| 705 |
+
|
| 706 |
+
sol = {
|
| 707 |
+
'x': x,
|
| 708 |
+
'fun': fun,
|
| 709 |
+
'slack': slack,
|
| 710 |
+
'con': con,
|
| 711 |
+
'status': status,
|
| 712 |
+
'message': message,
|
| 713 |
+
'nit': iteration,
|
| 714 |
+
'success': status == 0}
|
| 715 |
+
|
| 716 |
+
return OptimizeResult(sol)
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog_highs.py
ADDED
|
@@ -0,0 +1,440 @@
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|
| 1 |
+
"""HiGHS Linear Optimization Methods
|
| 2 |
+
|
| 3 |
+
Interface to HiGHS linear optimization software.
|
| 4 |
+
https://highs.dev/
|
| 5 |
+
|
| 6 |
+
.. versionadded:: 1.5.0
|
| 7 |
+
|
| 8 |
+
References
|
| 9 |
+
----------
|
| 10 |
+
.. [1] Q. Huangfu and J.A.J. Hall. "Parallelizing the dual revised simplex
|
| 11 |
+
method." Mathematical Programming Computation, 10 (1), 119-142,
|
| 12 |
+
2018. DOI: 10.1007/s12532-017-0130-5
|
| 13 |
+
|
| 14 |
+
"""
|
| 15 |
+
|
| 16 |
+
import inspect
|
| 17 |
+
import numpy as np
|
| 18 |
+
from ._optimize import OptimizeWarning, OptimizeResult
|
| 19 |
+
from warnings import warn
|
| 20 |
+
from ._highs._highs_wrapper import _highs_wrapper
|
| 21 |
+
from ._highs._highs_constants import (
|
| 22 |
+
CONST_INF,
|
| 23 |
+
MESSAGE_LEVEL_NONE,
|
| 24 |
+
HIGHS_OBJECTIVE_SENSE_MINIMIZE,
|
| 25 |
+
|
| 26 |
+
MODEL_STATUS_NOTSET,
|
| 27 |
+
MODEL_STATUS_LOAD_ERROR,
|
| 28 |
+
MODEL_STATUS_MODEL_ERROR,
|
| 29 |
+
MODEL_STATUS_PRESOLVE_ERROR,
|
| 30 |
+
MODEL_STATUS_SOLVE_ERROR,
|
| 31 |
+
MODEL_STATUS_POSTSOLVE_ERROR,
|
| 32 |
+
MODEL_STATUS_MODEL_EMPTY,
|
| 33 |
+
MODEL_STATUS_OPTIMAL,
|
| 34 |
+
MODEL_STATUS_INFEASIBLE,
|
| 35 |
+
MODEL_STATUS_UNBOUNDED_OR_INFEASIBLE,
|
| 36 |
+
MODEL_STATUS_UNBOUNDED,
|
| 37 |
+
MODEL_STATUS_REACHED_DUAL_OBJECTIVE_VALUE_UPPER_BOUND
|
| 38 |
+
as MODEL_STATUS_RDOVUB,
|
| 39 |
+
MODEL_STATUS_REACHED_OBJECTIVE_TARGET,
|
| 40 |
+
MODEL_STATUS_REACHED_TIME_LIMIT,
|
| 41 |
+
MODEL_STATUS_REACHED_ITERATION_LIMIT,
|
| 42 |
+
|
| 43 |
+
HIGHS_SIMPLEX_STRATEGY_DUAL,
|
| 44 |
+
|
| 45 |
+
HIGHS_SIMPLEX_CRASH_STRATEGY_OFF,
|
| 46 |
+
|
| 47 |
+
HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_CHOOSE,
|
| 48 |
+
HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_DANTZIG,
|
| 49 |
+
HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_DEVEX,
|
| 50 |
+
HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_STEEPEST_EDGE,
|
| 51 |
+
)
|
| 52 |
+
from scipy.sparse import csc_matrix, vstack, issparse
|
| 53 |
+
|
| 54 |
+
|
| 55 |
+
def _highs_to_scipy_status_message(highs_status, highs_message):
|
| 56 |
+
"""Converts HiGHS status number/message to SciPy status number/message"""
|
| 57 |
+
|
| 58 |
+
scipy_statuses_messages = {
|
| 59 |
+
None: (4, "HiGHS did not provide a status code. "),
|
| 60 |
+
MODEL_STATUS_NOTSET: (4, ""),
|
| 61 |
+
MODEL_STATUS_LOAD_ERROR: (4, ""),
|
| 62 |
+
MODEL_STATUS_MODEL_ERROR: (2, ""),
|
| 63 |
+
MODEL_STATUS_PRESOLVE_ERROR: (4, ""),
|
| 64 |
+
MODEL_STATUS_SOLVE_ERROR: (4, ""),
|
| 65 |
+
MODEL_STATUS_POSTSOLVE_ERROR: (4, ""),
|
| 66 |
+
MODEL_STATUS_MODEL_EMPTY: (4, ""),
|
| 67 |
+
MODEL_STATUS_RDOVUB: (4, ""),
|
| 68 |
+
MODEL_STATUS_REACHED_OBJECTIVE_TARGET: (4, ""),
|
| 69 |
+
MODEL_STATUS_OPTIMAL: (0, "Optimization terminated successfully. "),
|
| 70 |
+
MODEL_STATUS_REACHED_TIME_LIMIT: (1, "Time limit reached. "),
|
| 71 |
+
MODEL_STATUS_REACHED_ITERATION_LIMIT: (1, "Iteration limit reached. "),
|
| 72 |
+
MODEL_STATUS_INFEASIBLE: (2, "The problem is infeasible. "),
|
| 73 |
+
MODEL_STATUS_UNBOUNDED: (3, "The problem is unbounded. "),
|
| 74 |
+
MODEL_STATUS_UNBOUNDED_OR_INFEASIBLE: (4, "The problem is unbounded "
|
| 75 |
+
"or infeasible. ")}
|
| 76 |
+
unrecognized = (4, "The HiGHS status code was not recognized. ")
|
| 77 |
+
scipy_status, scipy_message = (
|
| 78 |
+
scipy_statuses_messages.get(highs_status, unrecognized))
|
| 79 |
+
scipy_message = (f"{scipy_message}"
|
| 80 |
+
f"(HiGHS Status {highs_status}: {highs_message})")
|
| 81 |
+
return scipy_status, scipy_message
|
| 82 |
+
|
| 83 |
+
|
| 84 |
+
def _replace_inf(x):
|
| 85 |
+
# Replace `np.inf` with CONST_INF
|
| 86 |
+
infs = np.isinf(x)
|
| 87 |
+
with np.errstate(invalid="ignore"):
|
| 88 |
+
x[infs] = np.sign(x[infs])*CONST_INF
|
| 89 |
+
return x
|
| 90 |
+
|
| 91 |
+
|
| 92 |
+
def _convert_to_highs_enum(option, option_str, choices):
|
| 93 |
+
# If option is in the choices we can look it up, if not use
|
| 94 |
+
# the default value taken from function signature and warn:
|
| 95 |
+
try:
|
| 96 |
+
return choices[option.lower()]
|
| 97 |
+
except AttributeError:
|
| 98 |
+
return choices[option]
|
| 99 |
+
except KeyError:
|
| 100 |
+
sig = inspect.signature(_linprog_highs)
|
| 101 |
+
default_str = sig.parameters[option_str].default
|
| 102 |
+
warn(f"Option {option_str} is {option}, but only values in "
|
| 103 |
+
f"{set(choices.keys())} are allowed. Using default: "
|
| 104 |
+
f"{default_str}.",
|
| 105 |
+
OptimizeWarning, stacklevel=3)
|
| 106 |
+
return choices[default_str]
|
| 107 |
+
|
| 108 |
+
|
| 109 |
+
def _linprog_highs(lp, solver, time_limit=None, presolve=True,
|
| 110 |
+
disp=False, maxiter=None,
|
| 111 |
+
dual_feasibility_tolerance=None,
|
| 112 |
+
primal_feasibility_tolerance=None,
|
| 113 |
+
ipm_optimality_tolerance=None,
|
| 114 |
+
simplex_dual_edge_weight_strategy=None,
|
| 115 |
+
mip_rel_gap=None,
|
| 116 |
+
mip_max_nodes=None,
|
| 117 |
+
**unknown_options):
|
| 118 |
+
r"""
|
| 119 |
+
Solve the following linear programming problem using one of the HiGHS
|
| 120 |
+
solvers:
|
| 121 |
+
|
| 122 |
+
User-facing documentation is in _linprog_doc.py.
|
| 123 |
+
|
| 124 |
+
Parameters
|
| 125 |
+
----------
|
| 126 |
+
lp : _LPProblem
|
| 127 |
+
A ``scipy.optimize._linprog_util._LPProblem`` ``namedtuple``.
|
| 128 |
+
solver : "ipm" or "simplex" or None
|
| 129 |
+
Which HiGHS solver to use. If ``None``, "simplex" will be used.
|
| 130 |
+
|
| 131 |
+
Options
|
| 132 |
+
-------
|
| 133 |
+
maxiter : int
|
| 134 |
+
The maximum number of iterations to perform in either phase. For
|
| 135 |
+
``solver='ipm'``, this does not include the number of crossover
|
| 136 |
+
iterations. Default is the largest possible value for an ``int``
|
| 137 |
+
on the platform.
|
| 138 |
+
disp : bool
|
| 139 |
+
Set to ``True`` if indicators of optimization status are to be printed
|
| 140 |
+
to the console each iteration; default ``False``.
|
| 141 |
+
time_limit : float
|
| 142 |
+
The maximum time in seconds allotted to solve the problem; default is
|
| 143 |
+
the largest possible value for a ``double`` on the platform.
|
| 144 |
+
presolve : bool
|
| 145 |
+
Presolve attempts to identify trivial infeasibilities,
|
| 146 |
+
identify trivial unboundedness, and simplify the problem before
|
| 147 |
+
sending it to the main solver. It is generally recommended
|
| 148 |
+
to keep the default setting ``True``; set to ``False`` if presolve is
|
| 149 |
+
to be disabled.
|
| 150 |
+
dual_feasibility_tolerance : double
|
| 151 |
+
Dual feasibility tolerance. Default is 1e-07.
|
| 152 |
+
The minimum of this and ``primal_feasibility_tolerance``
|
| 153 |
+
is used for the feasibility tolerance when ``solver='ipm'``.
|
| 154 |
+
primal_feasibility_tolerance : double
|
| 155 |
+
Primal feasibility tolerance. Default is 1e-07.
|
| 156 |
+
The minimum of this and ``dual_feasibility_tolerance``
|
| 157 |
+
is used for the feasibility tolerance when ``solver='ipm'``.
|
| 158 |
+
ipm_optimality_tolerance : double
|
| 159 |
+
Optimality tolerance for ``solver='ipm'``. Default is 1e-08.
|
| 160 |
+
Minimum possible value is 1e-12 and must be smaller than the largest
|
| 161 |
+
possible value for a ``double`` on the platform.
|
| 162 |
+
simplex_dual_edge_weight_strategy : str (default: None)
|
| 163 |
+
Strategy for simplex dual edge weights. The default, ``None``,
|
| 164 |
+
automatically selects one of the following.
|
| 165 |
+
|
| 166 |
+
``'dantzig'`` uses Dantzig's original strategy of choosing the most
|
| 167 |
+
negative reduced cost.
|
| 168 |
+
|
| 169 |
+
``'devex'`` uses the strategy described in [15]_.
|
| 170 |
+
|
| 171 |
+
``steepest`` uses the exact steepest edge strategy as described in
|
| 172 |
+
[16]_.
|
| 173 |
+
|
| 174 |
+
``'steepest-devex'`` begins with the exact steepest edge strategy
|
| 175 |
+
until the computation is too costly or inexact and then switches to
|
| 176 |
+
the devex method.
|
| 177 |
+
|
| 178 |
+
Currently, using ``None`` always selects ``'steepest-devex'``, but this
|
| 179 |
+
may change as new options become available.
|
| 180 |
+
|
| 181 |
+
mip_max_nodes : int
|
| 182 |
+
The maximum number of nodes allotted to solve the problem; default is
|
| 183 |
+
the largest possible value for a ``HighsInt`` on the platform.
|
| 184 |
+
Ignored if not using the MIP solver.
|
| 185 |
+
unknown_options : dict
|
| 186 |
+
Optional arguments not used by this particular solver. If
|
| 187 |
+
``unknown_options`` is non-empty, a warning is issued listing all
|
| 188 |
+
unused options.
|
| 189 |
+
|
| 190 |
+
Returns
|
| 191 |
+
-------
|
| 192 |
+
sol : dict
|
| 193 |
+
A dictionary consisting of the fields:
|
| 194 |
+
|
| 195 |
+
x : 1D array
|
| 196 |
+
The values of the decision variables that minimizes the
|
| 197 |
+
objective function while satisfying the constraints.
|
| 198 |
+
fun : float
|
| 199 |
+
The optimal value of the objective function ``c @ x``.
|
| 200 |
+
slack : 1D array
|
| 201 |
+
The (nominally positive) values of the slack,
|
| 202 |
+
``b_ub - A_ub @ x``.
|
| 203 |
+
con : 1D array
|
| 204 |
+
The (nominally zero) residuals of the equality constraints,
|
| 205 |
+
``b_eq - A_eq @ x``.
|
| 206 |
+
success : bool
|
| 207 |
+
``True`` when the algorithm succeeds in finding an optimal
|
| 208 |
+
solution.
|
| 209 |
+
status : int
|
| 210 |
+
An integer representing the exit status of the algorithm.
|
| 211 |
+
|
| 212 |
+
``0`` : Optimization terminated successfully.
|
| 213 |
+
|
| 214 |
+
``1`` : Iteration or time limit reached.
|
| 215 |
+
|
| 216 |
+
``2`` : Problem appears to be infeasible.
|
| 217 |
+
|
| 218 |
+
``3`` : Problem appears to be unbounded.
|
| 219 |
+
|
| 220 |
+
``4`` : The HiGHS solver ran into a problem.
|
| 221 |
+
|
| 222 |
+
message : str
|
| 223 |
+
A string descriptor of the exit status of the algorithm.
|
| 224 |
+
nit : int
|
| 225 |
+
The total number of iterations performed.
|
| 226 |
+
For ``solver='simplex'``, this includes iterations in all
|
| 227 |
+
phases. For ``solver='ipm'``, this does not include
|
| 228 |
+
crossover iterations.
|
| 229 |
+
crossover_nit : int
|
| 230 |
+
The number of primal/dual pushes performed during the
|
| 231 |
+
crossover routine for ``solver='ipm'``. This is ``0``
|
| 232 |
+
for ``solver='simplex'``.
|
| 233 |
+
ineqlin : OptimizeResult
|
| 234 |
+
Solution and sensitivity information corresponding to the
|
| 235 |
+
inequality constraints, `b_ub`. A dictionary consisting of the
|
| 236 |
+
fields:
|
| 237 |
+
|
| 238 |
+
residual : np.ndnarray
|
| 239 |
+
The (nominally positive) values of the slack variables,
|
| 240 |
+
``b_ub - A_ub @ x``. This quantity is also commonly
|
| 241 |
+
referred to as "slack".
|
| 242 |
+
|
| 243 |
+
marginals : np.ndarray
|
| 244 |
+
The sensitivity (partial derivative) of the objective
|
| 245 |
+
function with respect to the right-hand side of the
|
| 246 |
+
inequality constraints, `b_ub`.
|
| 247 |
+
|
| 248 |
+
eqlin : OptimizeResult
|
| 249 |
+
Solution and sensitivity information corresponding to the
|
| 250 |
+
equality constraints, `b_eq`. A dictionary consisting of the
|
| 251 |
+
fields:
|
| 252 |
+
|
| 253 |
+
residual : np.ndarray
|
| 254 |
+
The (nominally zero) residuals of the equality constraints,
|
| 255 |
+
``b_eq - A_eq @ x``.
|
| 256 |
+
|
| 257 |
+
marginals : np.ndarray
|
| 258 |
+
The sensitivity (partial derivative) of the objective
|
| 259 |
+
function with respect to the right-hand side of the
|
| 260 |
+
equality constraints, `b_eq`.
|
| 261 |
+
|
| 262 |
+
lower, upper : OptimizeResult
|
| 263 |
+
Solution and sensitivity information corresponding to the
|
| 264 |
+
lower and upper bounds on decision variables, `bounds`.
|
| 265 |
+
|
| 266 |
+
residual : np.ndarray
|
| 267 |
+
The (nominally positive) values of the quantity
|
| 268 |
+
``x - lb`` (lower) or ``ub - x`` (upper).
|
| 269 |
+
|
| 270 |
+
marginals : np.ndarray
|
| 271 |
+
The sensitivity (partial derivative) of the objective
|
| 272 |
+
function with respect to the lower and upper
|
| 273 |
+
`bounds`.
|
| 274 |
+
|
| 275 |
+
mip_node_count : int
|
| 276 |
+
The number of subproblems or "nodes" solved by the MILP
|
| 277 |
+
solver. Only present when `integrality` is not `None`.
|
| 278 |
+
|
| 279 |
+
mip_dual_bound : float
|
| 280 |
+
The MILP solver's final estimate of the lower bound on the
|
| 281 |
+
optimal solution. Only present when `integrality` is not
|
| 282 |
+
`None`.
|
| 283 |
+
|
| 284 |
+
mip_gap : float
|
| 285 |
+
The difference between the final objective function value
|
| 286 |
+
and the final dual bound, scaled by the final objective
|
| 287 |
+
function value. Only present when `integrality` is not
|
| 288 |
+
`None`.
|
| 289 |
+
|
| 290 |
+
Notes
|
| 291 |
+
-----
|
| 292 |
+
The result fields `ineqlin`, `eqlin`, `lower`, and `upper` all contain
|
| 293 |
+
`marginals`, or partial derivatives of the objective function with respect
|
| 294 |
+
to the right-hand side of each constraint. These partial derivatives are
|
| 295 |
+
also referred to as "Lagrange multipliers", "dual values", and
|
| 296 |
+
"shadow prices". The sign convention of `marginals` is opposite that
|
| 297 |
+
of Lagrange multipliers produced by many nonlinear solvers.
|
| 298 |
+
|
| 299 |
+
References
|
| 300 |
+
----------
|
| 301 |
+
.. [15] Harris, Paula MJ. "Pivot selection methods of the Devex LP code."
|
| 302 |
+
Mathematical programming 5.1 (1973): 1-28.
|
| 303 |
+
.. [16] Goldfarb, Donald, and John Ker Reid. "A practicable steepest-edge
|
| 304 |
+
simplex algorithm." Mathematical Programming 12.1 (1977): 361-371.
|
| 305 |
+
"""
|
| 306 |
+
if unknown_options:
|
| 307 |
+
message = (f"Unrecognized options detected: {unknown_options}. "
|
| 308 |
+
"These will be passed to HiGHS verbatim.")
|
| 309 |
+
warn(message, OptimizeWarning, stacklevel=3)
|
| 310 |
+
|
| 311 |
+
# Map options to HiGHS enum values
|
| 312 |
+
simplex_dual_edge_weight_strategy_enum = _convert_to_highs_enum(
|
| 313 |
+
simplex_dual_edge_weight_strategy,
|
| 314 |
+
'simplex_dual_edge_weight_strategy',
|
| 315 |
+
choices={'dantzig': HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_DANTZIG,
|
| 316 |
+
'devex': HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_DEVEX,
|
| 317 |
+
'steepest-devex': HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_CHOOSE,
|
| 318 |
+
'steepest':
|
| 319 |
+
HIGHS_SIMPLEX_EDGE_WEIGHT_STRATEGY_STEEPEST_EDGE,
|
| 320 |
+
None: None})
|
| 321 |
+
|
| 322 |
+
c, A_ub, b_ub, A_eq, b_eq, bounds, x0, integrality = lp
|
| 323 |
+
|
| 324 |
+
lb, ub = bounds.T.copy() # separate bounds, copy->C-cntgs
|
| 325 |
+
# highs_wrapper solves LHS <= A*x <= RHS, not equality constraints
|
| 326 |
+
with np.errstate(invalid="ignore"):
|
| 327 |
+
lhs_ub = -np.ones_like(b_ub)*np.inf # LHS of UB constraints is -inf
|
| 328 |
+
rhs_ub = b_ub # RHS of UB constraints is b_ub
|
| 329 |
+
lhs_eq = b_eq # Equality constraint is inequality
|
| 330 |
+
rhs_eq = b_eq # constraint with LHS=RHS
|
| 331 |
+
lhs = np.concatenate((lhs_ub, lhs_eq))
|
| 332 |
+
rhs = np.concatenate((rhs_ub, rhs_eq))
|
| 333 |
+
|
| 334 |
+
if issparse(A_ub) or issparse(A_eq):
|
| 335 |
+
A = vstack((A_ub, A_eq))
|
| 336 |
+
else:
|
| 337 |
+
A = np.vstack((A_ub, A_eq))
|
| 338 |
+
A = csc_matrix(A)
|
| 339 |
+
|
| 340 |
+
options = {
|
| 341 |
+
'presolve': presolve,
|
| 342 |
+
'sense': HIGHS_OBJECTIVE_SENSE_MINIMIZE,
|
| 343 |
+
'solver': solver,
|
| 344 |
+
'time_limit': time_limit,
|
| 345 |
+
'highs_debug_level': MESSAGE_LEVEL_NONE,
|
| 346 |
+
'dual_feasibility_tolerance': dual_feasibility_tolerance,
|
| 347 |
+
'ipm_optimality_tolerance': ipm_optimality_tolerance,
|
| 348 |
+
'log_to_console': disp,
|
| 349 |
+
'mip_max_nodes': mip_max_nodes,
|
| 350 |
+
'output_flag': disp,
|
| 351 |
+
'primal_feasibility_tolerance': primal_feasibility_tolerance,
|
| 352 |
+
'simplex_dual_edge_weight_strategy':
|
| 353 |
+
simplex_dual_edge_weight_strategy_enum,
|
| 354 |
+
'simplex_strategy': HIGHS_SIMPLEX_STRATEGY_DUAL,
|
| 355 |
+
'simplex_crash_strategy': HIGHS_SIMPLEX_CRASH_STRATEGY_OFF,
|
| 356 |
+
'ipm_iteration_limit': maxiter,
|
| 357 |
+
'simplex_iteration_limit': maxiter,
|
| 358 |
+
'mip_rel_gap': mip_rel_gap,
|
| 359 |
+
}
|
| 360 |
+
options.update(unknown_options)
|
| 361 |
+
|
| 362 |
+
# np.inf doesn't work; use very large constant
|
| 363 |
+
rhs = _replace_inf(rhs)
|
| 364 |
+
lhs = _replace_inf(lhs)
|
| 365 |
+
lb = _replace_inf(lb)
|
| 366 |
+
ub = _replace_inf(ub)
|
| 367 |
+
|
| 368 |
+
if integrality is None or np.sum(integrality) == 0:
|
| 369 |
+
integrality = np.empty(0)
|
| 370 |
+
else:
|
| 371 |
+
integrality = np.array(integrality)
|
| 372 |
+
|
| 373 |
+
res = _highs_wrapper(c, A.indptr, A.indices, A.data, lhs, rhs,
|
| 374 |
+
lb, ub, integrality.astype(np.uint8), options)
|
| 375 |
+
|
| 376 |
+
# HiGHS represents constraints as lhs/rhs, so
|
| 377 |
+
# Ax + s = b => Ax = b - s
|
| 378 |
+
# and we need to split up s by A_ub and A_eq
|
| 379 |
+
if 'slack' in res:
|
| 380 |
+
slack = res['slack']
|
| 381 |
+
con = np.array(slack[len(b_ub):])
|
| 382 |
+
slack = np.array(slack[:len(b_ub)])
|
| 383 |
+
else:
|
| 384 |
+
slack, con = None, None
|
| 385 |
+
|
| 386 |
+
# lagrange multipliers for equalities/inequalities and upper/lower bounds
|
| 387 |
+
if 'lambda' in res:
|
| 388 |
+
lamda = res['lambda']
|
| 389 |
+
marg_ineqlin = np.array(lamda[:len(b_ub)])
|
| 390 |
+
marg_eqlin = np.array(lamda[len(b_ub):])
|
| 391 |
+
marg_upper = np.array(res['marg_bnds'][1, :])
|
| 392 |
+
marg_lower = np.array(res['marg_bnds'][0, :])
|
| 393 |
+
else:
|
| 394 |
+
marg_ineqlin, marg_eqlin = None, None
|
| 395 |
+
marg_upper, marg_lower = None, None
|
| 396 |
+
|
| 397 |
+
# this needs to be updated if we start choosing the solver intelligently
|
| 398 |
+
|
| 399 |
+
# Convert to scipy-style status and message
|
| 400 |
+
highs_status = res.get('status', None)
|
| 401 |
+
highs_message = res.get('message', None)
|
| 402 |
+
status, message = _highs_to_scipy_status_message(highs_status,
|
| 403 |
+
highs_message)
|
| 404 |
+
|
| 405 |
+
x = np.array(res['x']) if 'x' in res else None
|
| 406 |
+
sol = {'x': x,
|
| 407 |
+
'slack': slack,
|
| 408 |
+
'con': con,
|
| 409 |
+
'ineqlin': OptimizeResult({
|
| 410 |
+
'residual': slack,
|
| 411 |
+
'marginals': marg_ineqlin,
|
| 412 |
+
}),
|
| 413 |
+
'eqlin': OptimizeResult({
|
| 414 |
+
'residual': con,
|
| 415 |
+
'marginals': marg_eqlin,
|
| 416 |
+
}),
|
| 417 |
+
'lower': OptimizeResult({
|
| 418 |
+
'residual': None if x is None else x - lb,
|
| 419 |
+
'marginals': marg_lower,
|
| 420 |
+
}),
|
| 421 |
+
'upper': OptimizeResult({
|
| 422 |
+
'residual': None if x is None else ub - x,
|
| 423 |
+
'marginals': marg_upper
|
| 424 |
+
}),
|
| 425 |
+
'fun': res.get('fun'),
|
| 426 |
+
'status': status,
|
| 427 |
+
'success': res['status'] == MODEL_STATUS_OPTIMAL,
|
| 428 |
+
'message': message,
|
| 429 |
+
'nit': res.get('simplex_nit', 0) or res.get('ipm_nit', 0),
|
| 430 |
+
'crossover_nit': res.get('crossover_nit'),
|
| 431 |
+
}
|
| 432 |
+
|
| 433 |
+
if np.any(x) and integrality is not None:
|
| 434 |
+
sol.update({
|
| 435 |
+
'mip_node_count': res.get('mip_node_count', 0),
|
| 436 |
+
'mip_dual_bound': res.get('mip_dual_bound', 0.0),
|
| 437 |
+
'mip_gap': res.get('mip_gap', 0.0),
|
| 438 |
+
})
|
| 439 |
+
|
| 440 |
+
return sol
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog_ip.py
ADDED
|
@@ -0,0 +1,1126 @@
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|
|
| 1 |
+
"""Interior-point method for linear programming
|
| 2 |
+
|
| 3 |
+
The *interior-point* method uses the primal-dual path following algorithm
|
| 4 |
+
outlined in [1]_. This algorithm supports sparse constraint matrices and
|
| 5 |
+
is typically faster than the simplex methods, especially for large, sparse
|
| 6 |
+
problems. Note, however, that the solution returned may be slightly less
|
| 7 |
+
accurate than those of the simplex methods and will not, in general,
|
| 8 |
+
correspond with a vertex of the polytope defined by the constraints.
|
| 9 |
+
|
| 10 |
+
.. versionadded:: 1.0.0
|
| 11 |
+
|
| 12 |
+
References
|
| 13 |
+
----------
|
| 14 |
+
.. [1] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 15 |
+
optimizer for linear programming: an implementation of the
|
| 16 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 17 |
+
2000. 197-232.
|
| 18 |
+
"""
|
| 19 |
+
# Author: Matt Haberland
|
| 20 |
+
|
| 21 |
+
import numpy as np
|
| 22 |
+
import scipy as sp
|
| 23 |
+
import scipy.sparse as sps
|
| 24 |
+
from warnings import warn
|
| 25 |
+
from scipy.linalg import LinAlgError
|
| 26 |
+
from ._optimize import OptimizeWarning, OptimizeResult, _check_unknown_options
|
| 27 |
+
from ._linprog_util import _postsolve
|
| 28 |
+
has_umfpack = True
|
| 29 |
+
has_cholmod = True
|
| 30 |
+
try:
|
| 31 |
+
import sksparse # noqa: F401
|
| 32 |
+
from sksparse.cholmod import cholesky as cholmod # noqa: F401
|
| 33 |
+
from sksparse.cholmod import analyze as cholmod_analyze
|
| 34 |
+
except ImportError:
|
| 35 |
+
has_cholmod = False
|
| 36 |
+
try:
|
| 37 |
+
import scikits.umfpack # test whether to use factorized # noqa: F401
|
| 38 |
+
except ImportError:
|
| 39 |
+
has_umfpack = False
|
| 40 |
+
|
| 41 |
+
|
| 42 |
+
def _get_solver(M, sparse=False, lstsq=False, sym_pos=True,
|
| 43 |
+
cholesky=True, permc_spec='MMD_AT_PLUS_A'):
|
| 44 |
+
"""
|
| 45 |
+
Given solver options, return a handle to the appropriate linear system
|
| 46 |
+
solver.
|
| 47 |
+
|
| 48 |
+
Parameters
|
| 49 |
+
----------
|
| 50 |
+
M : 2-D array
|
| 51 |
+
As defined in [4] Equation 8.31
|
| 52 |
+
sparse : bool (default = False)
|
| 53 |
+
True if the system to be solved is sparse. This is typically set
|
| 54 |
+
True when the original ``A_ub`` and ``A_eq`` arrays are sparse.
|
| 55 |
+
lstsq : bool (default = False)
|
| 56 |
+
True if the system is ill-conditioned and/or (nearly) singular and
|
| 57 |
+
thus a more robust least-squares solver is desired. This is sometimes
|
| 58 |
+
needed as the solution is approached.
|
| 59 |
+
sym_pos : bool (default = True)
|
| 60 |
+
True if the system matrix is symmetric positive definite
|
| 61 |
+
Sometimes this needs to be set false as the solution is approached,
|
| 62 |
+
even when the system should be symmetric positive definite, due to
|
| 63 |
+
numerical difficulties.
|
| 64 |
+
cholesky : bool (default = True)
|
| 65 |
+
True if the system is to be solved by Cholesky, rather than LU,
|
| 66 |
+
decomposition. This is typically faster unless the problem is very
|
| 67 |
+
small or prone to numerical difficulties.
|
| 68 |
+
permc_spec : str (default = 'MMD_AT_PLUS_A')
|
| 69 |
+
Sparsity preservation strategy used by SuperLU. Acceptable values are:
|
| 70 |
+
|
| 71 |
+
- ``NATURAL``: natural ordering.
|
| 72 |
+
- ``MMD_ATA``: minimum degree ordering on the structure of A^T A.
|
| 73 |
+
- ``MMD_AT_PLUS_A``: minimum degree ordering on the structure of A^T+A.
|
| 74 |
+
- ``COLAMD``: approximate minimum degree column ordering.
|
| 75 |
+
|
| 76 |
+
See SuperLU documentation.
|
| 77 |
+
|
| 78 |
+
Returns
|
| 79 |
+
-------
|
| 80 |
+
solve : function
|
| 81 |
+
Handle to the appropriate solver function
|
| 82 |
+
|
| 83 |
+
"""
|
| 84 |
+
try:
|
| 85 |
+
if sparse:
|
| 86 |
+
if lstsq:
|
| 87 |
+
def solve(r, sym_pos=False):
|
| 88 |
+
return sps.linalg.lsqr(M, r)[0]
|
| 89 |
+
elif cholesky:
|
| 90 |
+
try:
|
| 91 |
+
# Will raise an exception in the first call,
|
| 92 |
+
# or when the matrix changes due to a new problem
|
| 93 |
+
_get_solver.cholmod_factor.cholesky_inplace(M)
|
| 94 |
+
except Exception:
|
| 95 |
+
_get_solver.cholmod_factor = cholmod_analyze(M)
|
| 96 |
+
_get_solver.cholmod_factor.cholesky_inplace(M)
|
| 97 |
+
solve = _get_solver.cholmod_factor
|
| 98 |
+
else:
|
| 99 |
+
if has_umfpack and sym_pos:
|
| 100 |
+
solve = sps.linalg.factorized(M)
|
| 101 |
+
else: # factorized doesn't pass permc_spec
|
| 102 |
+
solve = sps.linalg.splu(M, permc_spec=permc_spec).solve
|
| 103 |
+
|
| 104 |
+
else:
|
| 105 |
+
if lstsq: # sometimes necessary as solution is approached
|
| 106 |
+
def solve(r):
|
| 107 |
+
return sp.linalg.lstsq(M, r)[0]
|
| 108 |
+
elif cholesky:
|
| 109 |
+
L = sp.linalg.cho_factor(M)
|
| 110 |
+
|
| 111 |
+
def solve(r):
|
| 112 |
+
return sp.linalg.cho_solve(L, r)
|
| 113 |
+
else:
|
| 114 |
+
# this seems to cache the matrix factorization, so solving
|
| 115 |
+
# with multiple right hand sides is much faster
|
| 116 |
+
def solve(r, sym_pos=sym_pos):
|
| 117 |
+
if sym_pos:
|
| 118 |
+
return sp.linalg.solve(M, r, assume_a="pos")
|
| 119 |
+
else:
|
| 120 |
+
return sp.linalg.solve(M, r)
|
| 121 |
+
# There are many things that can go wrong here, and it's hard to say
|
| 122 |
+
# what all of them are. It doesn't really matter: if the matrix can't be
|
| 123 |
+
# factorized, return None. get_solver will be called again with different
|
| 124 |
+
# inputs, and a new routine will try to factorize the matrix.
|
| 125 |
+
except KeyboardInterrupt:
|
| 126 |
+
raise
|
| 127 |
+
except Exception:
|
| 128 |
+
return None
|
| 129 |
+
return solve
|
| 130 |
+
|
| 131 |
+
|
| 132 |
+
def _get_delta(A, b, c, x, y, z, tau, kappa, gamma, eta, sparse=False,
|
| 133 |
+
lstsq=False, sym_pos=True, cholesky=True, pc=True, ip=False,
|
| 134 |
+
permc_spec='MMD_AT_PLUS_A'):
|
| 135 |
+
"""
|
| 136 |
+
Given standard form problem defined by ``A``, ``b``, and ``c``;
|
| 137 |
+
current variable estimates ``x``, ``y``, ``z``, ``tau``, and ``kappa``;
|
| 138 |
+
algorithmic parameters ``gamma and ``eta;
|
| 139 |
+
and options ``sparse``, ``lstsq``, ``sym_pos``, ``cholesky``, ``pc``
|
| 140 |
+
(predictor-corrector), and ``ip`` (initial point improvement),
|
| 141 |
+
get the search direction for increments to the variable estimates.
|
| 142 |
+
|
| 143 |
+
Parameters
|
| 144 |
+
----------
|
| 145 |
+
As defined in [4], except:
|
| 146 |
+
sparse : bool
|
| 147 |
+
True if the system to be solved is sparse. This is typically set
|
| 148 |
+
True when the original ``A_ub`` and ``A_eq`` arrays are sparse.
|
| 149 |
+
lstsq : bool
|
| 150 |
+
True if the system is ill-conditioned and/or (nearly) singular and
|
| 151 |
+
thus a more robust least-squares solver is desired. This is sometimes
|
| 152 |
+
needed as the solution is approached.
|
| 153 |
+
sym_pos : bool
|
| 154 |
+
True if the system matrix is symmetric positive definite
|
| 155 |
+
Sometimes this needs to be set false as the solution is approached,
|
| 156 |
+
even when the system should be symmetric positive definite, due to
|
| 157 |
+
numerical difficulties.
|
| 158 |
+
cholesky : bool
|
| 159 |
+
True if the system is to be solved by Cholesky, rather than LU,
|
| 160 |
+
decomposition. This is typically faster unless the problem is very
|
| 161 |
+
small or prone to numerical difficulties.
|
| 162 |
+
pc : bool
|
| 163 |
+
True if the predictor-corrector method of Mehrota is to be used. This
|
| 164 |
+
is almost always (if not always) beneficial. Even though it requires
|
| 165 |
+
the solution of an additional linear system, the factorization
|
| 166 |
+
is typically (implicitly) reused so solution is efficient, and the
|
| 167 |
+
number of algorithm iterations is typically reduced.
|
| 168 |
+
ip : bool
|
| 169 |
+
True if the improved initial point suggestion due to [4] section 4.3
|
| 170 |
+
is desired. It's unclear whether this is beneficial.
|
| 171 |
+
permc_spec : str (default = 'MMD_AT_PLUS_A')
|
| 172 |
+
(Has effect only with ``sparse = True``, ``lstsq = False``, ``sym_pos =
|
| 173 |
+
True``.) A matrix is factorized in each iteration of the algorithm.
|
| 174 |
+
This option specifies how to permute the columns of the matrix for
|
| 175 |
+
sparsity preservation. Acceptable values are:
|
| 176 |
+
|
| 177 |
+
- ``NATURAL``: natural ordering.
|
| 178 |
+
- ``MMD_ATA``: minimum degree ordering on the structure of A^T A.
|
| 179 |
+
- ``MMD_AT_PLUS_A``: minimum degree ordering on the structure of A^T+A.
|
| 180 |
+
- ``COLAMD``: approximate minimum degree column ordering.
|
| 181 |
+
|
| 182 |
+
This option can impact the convergence of the
|
| 183 |
+
interior point algorithm; test different values to determine which
|
| 184 |
+
performs best for your problem. For more information, refer to
|
| 185 |
+
``scipy.sparse.linalg.splu``.
|
| 186 |
+
|
| 187 |
+
Returns
|
| 188 |
+
-------
|
| 189 |
+
Search directions as defined in [4]
|
| 190 |
+
|
| 191 |
+
References
|
| 192 |
+
----------
|
| 193 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 194 |
+
optimizer for linear programming: an implementation of the
|
| 195 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 196 |
+
2000. 197-232.
|
| 197 |
+
|
| 198 |
+
"""
|
| 199 |
+
if A.shape[0] == 0:
|
| 200 |
+
# If there are no constraints, some solvers fail (understandably)
|
| 201 |
+
# rather than returning empty solution. This gets the job done.
|
| 202 |
+
sparse, lstsq, sym_pos, cholesky = False, False, True, False
|
| 203 |
+
n_x = len(x)
|
| 204 |
+
|
| 205 |
+
# [4] Equation 8.8
|
| 206 |
+
r_P = b * tau - A.dot(x)
|
| 207 |
+
r_D = c * tau - A.T.dot(y) - z
|
| 208 |
+
r_G = c.dot(x) - b.transpose().dot(y) + kappa
|
| 209 |
+
mu = (x.dot(z) + tau * kappa) / (n_x + 1)
|
| 210 |
+
|
| 211 |
+
# Assemble M from [4] Equation 8.31
|
| 212 |
+
Dinv = x / z
|
| 213 |
+
|
| 214 |
+
if sparse:
|
| 215 |
+
M = A.dot(sps.diags(Dinv, 0, format="csc").dot(A.T))
|
| 216 |
+
else:
|
| 217 |
+
M = A.dot(Dinv.reshape(-1, 1) * A.T)
|
| 218 |
+
solve = _get_solver(M, sparse, lstsq, sym_pos, cholesky, permc_spec)
|
| 219 |
+
|
| 220 |
+
# pc: "predictor-corrector" [4] Section 4.1
|
| 221 |
+
# In development this option could be turned off
|
| 222 |
+
# but it always seems to improve performance substantially
|
| 223 |
+
n_corrections = 1 if pc else 0
|
| 224 |
+
|
| 225 |
+
i = 0
|
| 226 |
+
alpha, d_x, d_z, d_tau, d_kappa = 0, 0, 0, 0, 0
|
| 227 |
+
while i <= n_corrections:
|
| 228 |
+
# Reference [4] Eq. 8.6
|
| 229 |
+
rhatp = eta(gamma) * r_P
|
| 230 |
+
rhatd = eta(gamma) * r_D
|
| 231 |
+
rhatg = eta(gamma) * r_G
|
| 232 |
+
|
| 233 |
+
# Reference [4] Eq. 8.7
|
| 234 |
+
rhatxs = gamma * mu - x * z
|
| 235 |
+
rhattk = gamma * mu - tau * kappa
|
| 236 |
+
|
| 237 |
+
if i == 1:
|
| 238 |
+
if ip: # if the correction is to get "initial point"
|
| 239 |
+
# Reference [4] Eq. 8.23
|
| 240 |
+
rhatxs = ((1 - alpha) * gamma * mu -
|
| 241 |
+
x * z - alpha**2 * d_x * d_z)
|
| 242 |
+
rhattk = ((1 - alpha) * gamma * mu -
|
| 243 |
+
tau * kappa -
|
| 244 |
+
alpha**2 * d_tau * d_kappa)
|
| 245 |
+
else: # if the correction is for "predictor-corrector"
|
| 246 |
+
# Reference [4] Eq. 8.13
|
| 247 |
+
rhatxs -= d_x * d_z
|
| 248 |
+
rhattk -= d_tau * d_kappa
|
| 249 |
+
|
| 250 |
+
# sometimes numerical difficulties arise as the solution is approached
|
| 251 |
+
# this loop tries to solve the equations using a sequence of functions
|
| 252 |
+
# for solve. For dense systems, the order is:
|
| 253 |
+
# 1. scipy.linalg.cho_factor/scipy.linalg.cho_solve,
|
| 254 |
+
# 2. scipy.linalg.solve w/ sym_pos = True,
|
| 255 |
+
# 3. scipy.linalg.solve w/ sym_pos = False, and if all else fails
|
| 256 |
+
# 4. scipy.linalg.lstsq
|
| 257 |
+
# For sparse systems, the order is:
|
| 258 |
+
# 1. sksparse.cholmod.cholesky (if available)
|
| 259 |
+
# 2. scipy.sparse.linalg.factorized (if umfpack available)
|
| 260 |
+
# 3. scipy.sparse.linalg.splu
|
| 261 |
+
# 4. scipy.sparse.linalg.lsqr
|
| 262 |
+
solved = False
|
| 263 |
+
while not solved:
|
| 264 |
+
try:
|
| 265 |
+
# [4] Equation 8.28
|
| 266 |
+
p, q = _sym_solve(Dinv, A, c, b, solve)
|
| 267 |
+
# [4] Equation 8.29
|
| 268 |
+
u, v = _sym_solve(Dinv, A, rhatd -
|
| 269 |
+
(1 / x) * rhatxs, rhatp, solve)
|
| 270 |
+
if np.any(np.isnan(p)) or np.any(np.isnan(q)):
|
| 271 |
+
raise LinAlgError
|
| 272 |
+
solved = True
|
| 273 |
+
except (LinAlgError, ValueError, TypeError) as e:
|
| 274 |
+
# Usually this doesn't happen. If it does, it happens when
|
| 275 |
+
# there are redundant constraints or when approaching the
|
| 276 |
+
# solution. If so, change solver.
|
| 277 |
+
if cholesky:
|
| 278 |
+
cholesky = False
|
| 279 |
+
warn(
|
| 280 |
+
"Solving system with option 'cholesky':True "
|
| 281 |
+
"failed. It is normal for this to happen "
|
| 282 |
+
"occasionally, especially as the solution is "
|
| 283 |
+
"approached. However, if you see this frequently, "
|
| 284 |
+
"consider setting option 'cholesky' to False.",
|
| 285 |
+
OptimizeWarning, stacklevel=5)
|
| 286 |
+
elif sym_pos:
|
| 287 |
+
sym_pos = False
|
| 288 |
+
warn(
|
| 289 |
+
"Solving system with option 'sym_pos':True "
|
| 290 |
+
"failed. It is normal for this to happen "
|
| 291 |
+
"occasionally, especially as the solution is "
|
| 292 |
+
"approached. However, if you see this frequently, "
|
| 293 |
+
"consider setting option 'sym_pos' to False.",
|
| 294 |
+
OptimizeWarning, stacklevel=5)
|
| 295 |
+
elif not lstsq:
|
| 296 |
+
lstsq = True
|
| 297 |
+
warn(
|
| 298 |
+
"Solving system with option 'sym_pos':False "
|
| 299 |
+
"failed. This may happen occasionally, "
|
| 300 |
+
"especially as the solution is "
|
| 301 |
+
"approached. However, if you see this frequently, "
|
| 302 |
+
"your problem may be numerically challenging. "
|
| 303 |
+
"If you cannot improve the formulation, consider "
|
| 304 |
+
"setting 'lstsq' to True. Consider also setting "
|
| 305 |
+
"`presolve` to True, if it is not already.",
|
| 306 |
+
OptimizeWarning, stacklevel=5)
|
| 307 |
+
else:
|
| 308 |
+
raise e
|
| 309 |
+
solve = _get_solver(M, sparse, lstsq, sym_pos,
|
| 310 |
+
cholesky, permc_spec)
|
| 311 |
+
# [4] Results after 8.29
|
| 312 |
+
d_tau = ((rhatg + 1 / tau * rhattk - (-c.dot(u) + b.dot(v))) /
|
| 313 |
+
(1 / tau * kappa + (-c.dot(p) + b.dot(q))))
|
| 314 |
+
d_x = u + p * d_tau
|
| 315 |
+
d_y = v + q * d_tau
|
| 316 |
+
|
| 317 |
+
# [4] Relations between after 8.25 and 8.26
|
| 318 |
+
d_z = (1 / x) * (rhatxs - z * d_x)
|
| 319 |
+
d_kappa = 1 / tau * (rhattk - kappa * d_tau)
|
| 320 |
+
|
| 321 |
+
# [4] 8.12 and "Let alpha be the maximal possible step..." before 8.23
|
| 322 |
+
alpha = _get_step(x, d_x, z, d_z, tau, d_tau, kappa, d_kappa, 1)
|
| 323 |
+
if ip: # initial point - see [4] 4.4
|
| 324 |
+
gamma = 10
|
| 325 |
+
else: # predictor-corrector, [4] definition after 8.12
|
| 326 |
+
beta1 = 0.1 # [4] pg. 220 (Table 8.1)
|
| 327 |
+
gamma = (1 - alpha)**2 * min(beta1, (1 - alpha))
|
| 328 |
+
i += 1
|
| 329 |
+
|
| 330 |
+
return d_x, d_y, d_z, d_tau, d_kappa
|
| 331 |
+
|
| 332 |
+
|
| 333 |
+
def _sym_solve(Dinv, A, r1, r2, solve):
|
| 334 |
+
"""
|
| 335 |
+
An implementation of [4] equation 8.31 and 8.32
|
| 336 |
+
|
| 337 |
+
References
|
| 338 |
+
----------
|
| 339 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 340 |
+
optimizer for linear programming: an implementation of the
|
| 341 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 342 |
+
2000. 197-232.
|
| 343 |
+
|
| 344 |
+
"""
|
| 345 |
+
# [4] 8.31
|
| 346 |
+
r = r2 + A.dot(Dinv * r1)
|
| 347 |
+
v = solve(r)
|
| 348 |
+
# [4] 8.32
|
| 349 |
+
u = Dinv * (A.T.dot(v) - r1)
|
| 350 |
+
return u, v
|
| 351 |
+
|
| 352 |
+
|
| 353 |
+
def _get_step(x, d_x, z, d_z, tau, d_tau, kappa, d_kappa, alpha0):
|
| 354 |
+
"""
|
| 355 |
+
An implementation of [4] equation 8.21
|
| 356 |
+
|
| 357 |
+
References
|
| 358 |
+
----------
|
| 359 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 360 |
+
optimizer for linear programming: an implementation of the
|
| 361 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 362 |
+
2000. 197-232.
|
| 363 |
+
|
| 364 |
+
"""
|
| 365 |
+
# [4] 4.3 Equation 8.21, ignoring 8.20 requirement
|
| 366 |
+
# same step is taken in primal and dual spaces
|
| 367 |
+
# alpha0 is basically beta3 from [4] Table 8.1, but instead of beta3
|
| 368 |
+
# the value 1 is used in Mehrota corrector and initial point correction
|
| 369 |
+
i_x = d_x < 0
|
| 370 |
+
i_z = d_z < 0
|
| 371 |
+
alpha_x = alpha0 * np.min(x[i_x] / -d_x[i_x]) if np.any(i_x) else 1
|
| 372 |
+
alpha_tau = alpha0 * tau / -d_tau if d_tau < 0 else 1
|
| 373 |
+
alpha_z = alpha0 * np.min(z[i_z] / -d_z[i_z]) if np.any(i_z) else 1
|
| 374 |
+
alpha_kappa = alpha0 * kappa / -d_kappa if d_kappa < 0 else 1
|
| 375 |
+
alpha = np.min([1, alpha_x, alpha_tau, alpha_z, alpha_kappa])
|
| 376 |
+
return alpha
|
| 377 |
+
|
| 378 |
+
|
| 379 |
+
def _get_message(status):
|
| 380 |
+
"""
|
| 381 |
+
Given problem status code, return a more detailed message.
|
| 382 |
+
|
| 383 |
+
Parameters
|
| 384 |
+
----------
|
| 385 |
+
status : int
|
| 386 |
+
An integer representing the exit status of the optimization::
|
| 387 |
+
|
| 388 |
+
0 : Optimization terminated successfully
|
| 389 |
+
1 : Iteration limit reached
|
| 390 |
+
2 : Problem appears to be infeasible
|
| 391 |
+
3 : Problem appears to be unbounded
|
| 392 |
+
4 : Serious numerical difficulties encountered
|
| 393 |
+
|
| 394 |
+
Returns
|
| 395 |
+
-------
|
| 396 |
+
message : str
|
| 397 |
+
A string descriptor of the exit status of the optimization.
|
| 398 |
+
|
| 399 |
+
"""
|
| 400 |
+
messages = (
|
| 401 |
+
["Optimization terminated successfully.",
|
| 402 |
+
"The iteration limit was reached before the algorithm converged.",
|
| 403 |
+
"The algorithm terminated successfully and determined that the "
|
| 404 |
+
"problem is infeasible.",
|
| 405 |
+
"The algorithm terminated successfully and determined that the "
|
| 406 |
+
"problem is unbounded.",
|
| 407 |
+
"Numerical difficulties were encountered before the problem "
|
| 408 |
+
"converged. Please check your problem formulation for errors, "
|
| 409 |
+
"independence of linear equality constraints, and reasonable "
|
| 410 |
+
"scaling and matrix condition numbers. If you continue to "
|
| 411 |
+
"encounter this error, please submit a bug report."
|
| 412 |
+
])
|
| 413 |
+
return messages[status]
|
| 414 |
+
|
| 415 |
+
|
| 416 |
+
def _do_step(x, y, z, tau, kappa, d_x, d_y, d_z, d_tau, d_kappa, alpha):
|
| 417 |
+
"""
|
| 418 |
+
An implementation of [4] Equation 8.9
|
| 419 |
+
|
| 420 |
+
References
|
| 421 |
+
----------
|
| 422 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 423 |
+
optimizer for linear programming: an implementation of the
|
| 424 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 425 |
+
2000. 197-232.
|
| 426 |
+
|
| 427 |
+
"""
|
| 428 |
+
x = x + alpha * d_x
|
| 429 |
+
tau = tau + alpha * d_tau
|
| 430 |
+
z = z + alpha * d_z
|
| 431 |
+
kappa = kappa + alpha * d_kappa
|
| 432 |
+
y = y + alpha * d_y
|
| 433 |
+
return x, y, z, tau, kappa
|
| 434 |
+
|
| 435 |
+
|
| 436 |
+
def _get_blind_start(shape):
|
| 437 |
+
"""
|
| 438 |
+
Return the starting point from [4] 4.4
|
| 439 |
+
|
| 440 |
+
References
|
| 441 |
+
----------
|
| 442 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 443 |
+
optimizer for linear programming: an implementation of the
|
| 444 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 445 |
+
2000. 197-232.
|
| 446 |
+
|
| 447 |
+
"""
|
| 448 |
+
m, n = shape
|
| 449 |
+
x0 = np.ones(n)
|
| 450 |
+
y0 = np.zeros(m)
|
| 451 |
+
z0 = np.ones(n)
|
| 452 |
+
tau0 = 1
|
| 453 |
+
kappa0 = 1
|
| 454 |
+
return x0, y0, z0, tau0, kappa0
|
| 455 |
+
|
| 456 |
+
|
| 457 |
+
def _indicators(A, b, c, c0, x, y, z, tau, kappa):
|
| 458 |
+
"""
|
| 459 |
+
Implementation of several equations from [4] used as indicators of
|
| 460 |
+
the status of optimization.
|
| 461 |
+
|
| 462 |
+
References
|
| 463 |
+
----------
|
| 464 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 465 |
+
optimizer for linear programming: an implementation of the
|
| 466 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 467 |
+
2000. 197-232.
|
| 468 |
+
|
| 469 |
+
"""
|
| 470 |
+
|
| 471 |
+
# residuals for termination are relative to initial values
|
| 472 |
+
x0, y0, z0, tau0, kappa0 = _get_blind_start(A.shape)
|
| 473 |
+
|
| 474 |
+
# See [4], Section 4 - The Homogeneous Algorithm, Equation 8.8
|
| 475 |
+
def r_p(x, tau):
|
| 476 |
+
return b * tau - A.dot(x)
|
| 477 |
+
|
| 478 |
+
def r_d(y, z, tau):
|
| 479 |
+
return c * tau - A.T.dot(y) - z
|
| 480 |
+
|
| 481 |
+
def r_g(x, y, kappa):
|
| 482 |
+
return kappa + c.dot(x) - b.dot(y)
|
| 483 |
+
|
| 484 |
+
# np.dot unpacks if they are arrays of size one
|
| 485 |
+
def mu(x, tau, z, kappa):
|
| 486 |
+
return (x.dot(z) + np.dot(tau, kappa)) / (len(x) + 1)
|
| 487 |
+
|
| 488 |
+
obj = c.dot(x / tau) + c0
|
| 489 |
+
|
| 490 |
+
def norm(a):
|
| 491 |
+
return np.linalg.norm(a)
|
| 492 |
+
|
| 493 |
+
# See [4], Section 4.5 - The Stopping Criteria
|
| 494 |
+
r_p0 = r_p(x0, tau0)
|
| 495 |
+
r_d0 = r_d(y0, z0, tau0)
|
| 496 |
+
r_g0 = r_g(x0, y0, kappa0)
|
| 497 |
+
mu_0 = mu(x0, tau0, z0, kappa0)
|
| 498 |
+
rho_A = norm(c.T.dot(x) - b.T.dot(y)) / (tau + norm(b.T.dot(y)))
|
| 499 |
+
rho_p = norm(r_p(x, tau)) / max(1, norm(r_p0))
|
| 500 |
+
rho_d = norm(r_d(y, z, tau)) / max(1, norm(r_d0))
|
| 501 |
+
rho_g = norm(r_g(x, y, kappa)) / max(1, norm(r_g0))
|
| 502 |
+
rho_mu = mu(x, tau, z, kappa) / mu_0
|
| 503 |
+
return rho_p, rho_d, rho_A, rho_g, rho_mu, obj
|
| 504 |
+
|
| 505 |
+
|
| 506 |
+
def _display_iter(rho_p, rho_d, rho_g, alpha, rho_mu, obj, header=False):
|
| 507 |
+
"""
|
| 508 |
+
Print indicators of optimization status to the console.
|
| 509 |
+
|
| 510 |
+
Parameters
|
| 511 |
+
----------
|
| 512 |
+
rho_p : float
|
| 513 |
+
The (normalized) primal feasibility, see [4] 4.5
|
| 514 |
+
rho_d : float
|
| 515 |
+
The (normalized) dual feasibility, see [4] 4.5
|
| 516 |
+
rho_g : float
|
| 517 |
+
The (normalized) duality gap, see [4] 4.5
|
| 518 |
+
alpha : float
|
| 519 |
+
The step size, see [4] 4.3
|
| 520 |
+
rho_mu : float
|
| 521 |
+
The (normalized) path parameter, see [4] 4.5
|
| 522 |
+
obj : float
|
| 523 |
+
The objective function value of the current iterate
|
| 524 |
+
header : bool
|
| 525 |
+
True if a header is to be printed
|
| 526 |
+
|
| 527 |
+
References
|
| 528 |
+
----------
|
| 529 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 530 |
+
optimizer for linear programming: an implementation of the
|
| 531 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 532 |
+
2000. 197-232.
|
| 533 |
+
|
| 534 |
+
"""
|
| 535 |
+
if header:
|
| 536 |
+
print("Primal Feasibility ",
|
| 537 |
+
"Dual Feasibility ",
|
| 538 |
+
"Duality Gap ",
|
| 539 |
+
"Step ",
|
| 540 |
+
"Path Parameter ",
|
| 541 |
+
"Objective ")
|
| 542 |
+
|
| 543 |
+
# no clue why this works
|
| 544 |
+
fmt = '{0:<20.13}{1:<20.13}{2:<20.13}{3:<17.13}{4:<20.13}{5:<20.13}'
|
| 545 |
+
print(fmt.format(
|
| 546 |
+
float(rho_p),
|
| 547 |
+
float(rho_d),
|
| 548 |
+
float(rho_g),
|
| 549 |
+
alpha if isinstance(alpha, str) else float(alpha),
|
| 550 |
+
float(rho_mu),
|
| 551 |
+
float(obj)))
|
| 552 |
+
|
| 553 |
+
|
| 554 |
+
def _ip_hsd(A, b, c, c0, alpha0, beta, maxiter, disp, tol, sparse, lstsq,
|
| 555 |
+
sym_pos, cholesky, pc, ip, permc_spec, callback, postsolve_args):
|
| 556 |
+
r"""
|
| 557 |
+
Solve a linear programming problem in standard form:
|
| 558 |
+
|
| 559 |
+
Minimize::
|
| 560 |
+
|
| 561 |
+
c @ x
|
| 562 |
+
|
| 563 |
+
Subject to::
|
| 564 |
+
|
| 565 |
+
A @ x == b
|
| 566 |
+
x >= 0
|
| 567 |
+
|
| 568 |
+
using the interior point method of [4].
|
| 569 |
+
|
| 570 |
+
Parameters
|
| 571 |
+
----------
|
| 572 |
+
A : 2-D array
|
| 573 |
+
2-D array such that ``A @ x``, gives the values of the equality
|
| 574 |
+
constraints at ``x``.
|
| 575 |
+
b : 1-D array
|
| 576 |
+
1-D array of values representing the RHS of each equality constraint
|
| 577 |
+
(row) in ``A`` (for standard form problem).
|
| 578 |
+
c : 1-D array
|
| 579 |
+
Coefficients of the linear objective function to be minimized (for
|
| 580 |
+
standard form problem).
|
| 581 |
+
c0 : float
|
| 582 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 583 |
+
variables. (Purely for display.)
|
| 584 |
+
alpha0 : float
|
| 585 |
+
The maximal step size for Mehrota's predictor-corrector search
|
| 586 |
+
direction; see :math:`\beta_3`of [4] Table 8.1
|
| 587 |
+
beta : float
|
| 588 |
+
The desired reduction of the path parameter :math:`\mu` (see [6]_)
|
| 589 |
+
maxiter : int
|
| 590 |
+
The maximum number of iterations of the algorithm.
|
| 591 |
+
disp : bool
|
| 592 |
+
Set to ``True`` if indicators of optimization status are to be printed
|
| 593 |
+
to the console each iteration.
|
| 594 |
+
tol : float
|
| 595 |
+
Termination tolerance; see [4]_ Section 4.5.
|
| 596 |
+
sparse : bool
|
| 597 |
+
Set to ``True`` if the problem is to be treated as sparse. However,
|
| 598 |
+
the inputs ``A_eq`` and ``A_ub`` should nonetheless be provided as
|
| 599 |
+
(dense) arrays rather than sparse matrices.
|
| 600 |
+
lstsq : bool
|
| 601 |
+
Set to ``True`` if the problem is expected to be very poorly
|
| 602 |
+
conditioned. This should always be left as ``False`` unless severe
|
| 603 |
+
numerical difficulties are frequently encountered, and a better option
|
| 604 |
+
would be to improve the formulation of the problem.
|
| 605 |
+
sym_pos : bool
|
| 606 |
+
Leave ``True`` if the problem is expected to yield a well conditioned
|
| 607 |
+
symmetric positive definite normal equation matrix (almost always).
|
| 608 |
+
cholesky : bool
|
| 609 |
+
Set to ``True`` if the normal equations are to be solved by explicit
|
| 610 |
+
Cholesky decomposition followed by explicit forward/backward
|
| 611 |
+
substitution. This is typically faster for moderate, dense problems
|
| 612 |
+
that are numerically well-behaved.
|
| 613 |
+
pc : bool
|
| 614 |
+
Leave ``True`` if the predictor-corrector method of Mehrota is to be
|
| 615 |
+
used. This is almost always (if not always) beneficial.
|
| 616 |
+
ip : bool
|
| 617 |
+
Set to ``True`` if the improved initial point suggestion due to [4]_
|
| 618 |
+
Section 4.3 is desired. It's unclear whether this is beneficial.
|
| 619 |
+
permc_spec : str (default = 'MMD_AT_PLUS_A')
|
| 620 |
+
(Has effect only with ``sparse = True``, ``lstsq = False``, ``sym_pos =
|
| 621 |
+
True``.) A matrix is factorized in each iteration of the algorithm.
|
| 622 |
+
This option specifies how to permute the columns of the matrix for
|
| 623 |
+
sparsity preservation. Acceptable values are:
|
| 624 |
+
|
| 625 |
+
- ``NATURAL``: natural ordering.
|
| 626 |
+
- ``MMD_ATA``: minimum degree ordering on the structure of A^T A.
|
| 627 |
+
- ``MMD_AT_PLUS_A``: minimum degree ordering on the structure of A^T+A.
|
| 628 |
+
- ``COLAMD``: approximate minimum degree column ordering.
|
| 629 |
+
|
| 630 |
+
This option can impact the convergence of the
|
| 631 |
+
interior point algorithm; test different values to determine which
|
| 632 |
+
performs best for your problem. For more information, refer to
|
| 633 |
+
``scipy.sparse.linalg.splu``.
|
| 634 |
+
callback : callable, optional
|
| 635 |
+
If a callback function is provided, it will be called within each
|
| 636 |
+
iteration of the algorithm. The callback function must accept a single
|
| 637 |
+
`scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 638 |
+
|
| 639 |
+
x : 1-D array
|
| 640 |
+
Current solution vector
|
| 641 |
+
fun : float
|
| 642 |
+
Current value of the objective function
|
| 643 |
+
success : bool
|
| 644 |
+
True only when an algorithm has completed successfully,
|
| 645 |
+
so this is always False as the callback function is called
|
| 646 |
+
only while the algorithm is still iterating.
|
| 647 |
+
slack : 1-D array
|
| 648 |
+
The values of the slack variables. Each slack variable
|
| 649 |
+
corresponds to an inequality constraint. If the slack is zero,
|
| 650 |
+
the corresponding constraint is active.
|
| 651 |
+
con : 1-D array
|
| 652 |
+
The (nominally zero) residuals of the equality constraints,
|
| 653 |
+
that is, ``b - A_eq @ x``
|
| 654 |
+
phase : int
|
| 655 |
+
The phase of the algorithm being executed. This is always
|
| 656 |
+
1 for the interior-point method because it has only one phase.
|
| 657 |
+
status : int
|
| 658 |
+
For revised simplex, this is always 0 because if a different
|
| 659 |
+
status is detected, the algorithm terminates.
|
| 660 |
+
nit : int
|
| 661 |
+
The number of iterations performed.
|
| 662 |
+
message : str
|
| 663 |
+
A string descriptor of the exit status of the optimization.
|
| 664 |
+
postsolve_args : tuple
|
| 665 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 666 |
+
problem into the solution to the original problem.
|
| 667 |
+
|
| 668 |
+
Returns
|
| 669 |
+
-------
|
| 670 |
+
x_hat : float
|
| 671 |
+
Solution vector (for standard form problem).
|
| 672 |
+
status : int
|
| 673 |
+
An integer representing the exit status of the optimization::
|
| 674 |
+
|
| 675 |
+
0 : Optimization terminated successfully
|
| 676 |
+
1 : Iteration limit reached
|
| 677 |
+
2 : Problem appears to be infeasible
|
| 678 |
+
3 : Problem appears to be unbounded
|
| 679 |
+
4 : Serious numerical difficulties encountered
|
| 680 |
+
|
| 681 |
+
message : str
|
| 682 |
+
A string descriptor of the exit status of the optimization.
|
| 683 |
+
iteration : int
|
| 684 |
+
The number of iterations taken to solve the problem
|
| 685 |
+
|
| 686 |
+
References
|
| 687 |
+
----------
|
| 688 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 689 |
+
optimizer for linear programming: an implementation of the
|
| 690 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 691 |
+
2000. 197-232.
|
| 692 |
+
.. [6] Freund, Robert M. "Primal-Dual Interior-Point Methods for Linear
|
| 693 |
+
Programming based on Newton's Method." Unpublished Course Notes,
|
| 694 |
+
March 2004. Available 2/25/2017 at:
|
| 695 |
+
https://ocw.mit.edu/courses/sloan-school-of-management/15-084j-nonlinear-programming-spring-2004/lecture-notes/lec14_int_pt_mthd.pdf
|
| 696 |
+
|
| 697 |
+
"""
|
| 698 |
+
|
| 699 |
+
iteration = 0
|
| 700 |
+
|
| 701 |
+
# default initial point
|
| 702 |
+
x, y, z, tau, kappa = _get_blind_start(A.shape)
|
| 703 |
+
|
| 704 |
+
# first iteration is special improvement of initial point
|
| 705 |
+
ip = ip if pc else False
|
| 706 |
+
|
| 707 |
+
# [4] 4.5
|
| 708 |
+
rho_p, rho_d, rho_A, rho_g, rho_mu, obj = _indicators(
|
| 709 |
+
A, b, c, c0, x, y, z, tau, kappa)
|
| 710 |
+
go = rho_p > tol or rho_d > tol or rho_A > tol # we might get lucky : )
|
| 711 |
+
|
| 712 |
+
if disp:
|
| 713 |
+
_display_iter(rho_p, rho_d, rho_g, "-", rho_mu, obj, header=True)
|
| 714 |
+
if callback is not None:
|
| 715 |
+
x_o, fun, slack, con = _postsolve(x/tau, postsolve_args)
|
| 716 |
+
res = OptimizeResult({'x': x_o, 'fun': fun, 'slack': slack,
|
| 717 |
+
'con': con, 'nit': iteration, 'phase': 1,
|
| 718 |
+
'complete': False, 'status': 0,
|
| 719 |
+
'message': "", 'success': False})
|
| 720 |
+
callback(res)
|
| 721 |
+
|
| 722 |
+
status = 0
|
| 723 |
+
message = "Optimization terminated successfully."
|
| 724 |
+
|
| 725 |
+
if sparse:
|
| 726 |
+
A = sps.csc_matrix(A)
|
| 727 |
+
|
| 728 |
+
while go:
|
| 729 |
+
|
| 730 |
+
iteration += 1
|
| 731 |
+
|
| 732 |
+
if ip: # initial point
|
| 733 |
+
# [4] Section 4.4
|
| 734 |
+
gamma = 1
|
| 735 |
+
|
| 736 |
+
def eta(g):
|
| 737 |
+
return 1
|
| 738 |
+
else:
|
| 739 |
+
# gamma = 0 in predictor step according to [4] 4.1
|
| 740 |
+
# if predictor/corrector is off, use mean of complementarity [6]
|
| 741 |
+
# 5.1 / [4] Below Figure 10-4
|
| 742 |
+
gamma = 0 if pc else beta * np.mean(z * x)
|
| 743 |
+
# [4] Section 4.1
|
| 744 |
+
|
| 745 |
+
def eta(g=gamma):
|
| 746 |
+
return 1 - g
|
| 747 |
+
|
| 748 |
+
try:
|
| 749 |
+
# Solve [4] 8.6 and 8.7/8.13/8.23
|
| 750 |
+
d_x, d_y, d_z, d_tau, d_kappa = _get_delta(
|
| 751 |
+
A, b, c, x, y, z, tau, kappa, gamma, eta,
|
| 752 |
+
sparse, lstsq, sym_pos, cholesky, pc, ip, permc_spec)
|
| 753 |
+
|
| 754 |
+
if ip: # initial point
|
| 755 |
+
# [4] 4.4
|
| 756 |
+
# Formula after 8.23 takes a full step regardless if this will
|
| 757 |
+
# take it negative
|
| 758 |
+
alpha = 1.0
|
| 759 |
+
x, y, z, tau, kappa = _do_step(
|
| 760 |
+
x, y, z, tau, kappa, d_x, d_y,
|
| 761 |
+
d_z, d_tau, d_kappa, alpha)
|
| 762 |
+
x[x < 1] = 1
|
| 763 |
+
z[z < 1] = 1
|
| 764 |
+
tau = max(1, tau)
|
| 765 |
+
kappa = max(1, kappa)
|
| 766 |
+
ip = False # done with initial point
|
| 767 |
+
else:
|
| 768 |
+
# [4] Section 4.3
|
| 769 |
+
alpha = _get_step(x, d_x, z, d_z, tau,
|
| 770 |
+
d_tau, kappa, d_kappa, alpha0)
|
| 771 |
+
# [4] Equation 8.9
|
| 772 |
+
x, y, z, tau, kappa = _do_step(
|
| 773 |
+
x, y, z, tau, kappa, d_x, d_y, d_z, d_tau, d_kappa, alpha)
|
| 774 |
+
|
| 775 |
+
except (LinAlgError, FloatingPointError,
|
| 776 |
+
ValueError, ZeroDivisionError):
|
| 777 |
+
# this can happen when sparse solver is used and presolve
|
| 778 |
+
# is turned off. Also observed ValueError in AppVeyor Python 3.6
|
| 779 |
+
# Win32 build (PR #8676). I've never seen it otherwise.
|
| 780 |
+
status = 4
|
| 781 |
+
message = _get_message(status)
|
| 782 |
+
break
|
| 783 |
+
|
| 784 |
+
# [4] 4.5
|
| 785 |
+
rho_p, rho_d, rho_A, rho_g, rho_mu, obj = _indicators(
|
| 786 |
+
A, b, c, c0, x, y, z, tau, kappa)
|
| 787 |
+
go = rho_p > tol or rho_d > tol or rho_A > tol
|
| 788 |
+
|
| 789 |
+
if disp:
|
| 790 |
+
_display_iter(rho_p, rho_d, rho_g, alpha, rho_mu, obj)
|
| 791 |
+
if callback is not None:
|
| 792 |
+
x_o, fun, slack, con = _postsolve(x/tau, postsolve_args)
|
| 793 |
+
res = OptimizeResult({'x': x_o, 'fun': fun, 'slack': slack,
|
| 794 |
+
'con': con, 'nit': iteration, 'phase': 1,
|
| 795 |
+
'complete': False, 'status': 0,
|
| 796 |
+
'message': "", 'success': False})
|
| 797 |
+
callback(res)
|
| 798 |
+
|
| 799 |
+
# [4] 4.5
|
| 800 |
+
inf1 = (rho_p < tol and rho_d < tol and rho_g < tol and tau < tol *
|
| 801 |
+
max(1, kappa))
|
| 802 |
+
inf2 = rho_mu < tol and tau < tol * min(1, kappa)
|
| 803 |
+
if inf1 or inf2:
|
| 804 |
+
# [4] Lemma 8.4 / Theorem 8.3
|
| 805 |
+
if b.transpose().dot(y) > tol:
|
| 806 |
+
status = 2
|
| 807 |
+
else: # elif c.T.dot(x) < tol: ? Probably not necessary.
|
| 808 |
+
status = 3
|
| 809 |
+
message = _get_message(status)
|
| 810 |
+
break
|
| 811 |
+
elif iteration >= maxiter:
|
| 812 |
+
status = 1
|
| 813 |
+
message = _get_message(status)
|
| 814 |
+
break
|
| 815 |
+
|
| 816 |
+
x_hat = x / tau
|
| 817 |
+
# [4] Statement after Theorem 8.2
|
| 818 |
+
return x_hat, status, message, iteration
|
| 819 |
+
|
| 820 |
+
|
| 821 |
+
def _linprog_ip(c, c0, A, b, callback, postsolve_args, maxiter=1000, tol=1e-8,
|
| 822 |
+
disp=False, alpha0=.99995, beta=0.1, sparse=False, lstsq=False,
|
| 823 |
+
sym_pos=True, cholesky=None, pc=True, ip=False,
|
| 824 |
+
permc_spec='MMD_AT_PLUS_A', **unknown_options):
|
| 825 |
+
r"""
|
| 826 |
+
Minimize a linear objective function subject to linear
|
| 827 |
+
equality and non-negativity constraints using the interior point method
|
| 828 |
+
of [4]_. Linear programming is intended to solve problems
|
| 829 |
+
of the following form:
|
| 830 |
+
|
| 831 |
+
Minimize::
|
| 832 |
+
|
| 833 |
+
c @ x
|
| 834 |
+
|
| 835 |
+
Subject to::
|
| 836 |
+
|
| 837 |
+
A @ x == b
|
| 838 |
+
x >= 0
|
| 839 |
+
|
| 840 |
+
User-facing documentation is in _linprog_doc.py.
|
| 841 |
+
|
| 842 |
+
Parameters
|
| 843 |
+
----------
|
| 844 |
+
c : 1-D array
|
| 845 |
+
Coefficients of the linear objective function to be minimized.
|
| 846 |
+
c0 : float
|
| 847 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 848 |
+
variables. (Purely for display.)
|
| 849 |
+
A : 2-D array
|
| 850 |
+
2-D array such that ``A @ x``, gives the values of the equality
|
| 851 |
+
constraints at ``x``.
|
| 852 |
+
b : 1-D array
|
| 853 |
+
1-D array of values representing the right hand side of each equality
|
| 854 |
+
constraint (row) in ``A``.
|
| 855 |
+
callback : callable, optional
|
| 856 |
+
Callback function to be executed once per iteration.
|
| 857 |
+
postsolve_args : tuple
|
| 858 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 859 |
+
problem into the solution to the original problem.
|
| 860 |
+
|
| 861 |
+
Options
|
| 862 |
+
-------
|
| 863 |
+
maxiter : int (default = 1000)
|
| 864 |
+
The maximum number of iterations of the algorithm.
|
| 865 |
+
tol : float (default = 1e-8)
|
| 866 |
+
Termination tolerance to be used for all termination criteria;
|
| 867 |
+
see [4]_ Section 4.5.
|
| 868 |
+
disp : bool (default = False)
|
| 869 |
+
Set to ``True`` if indicators of optimization status are to be printed
|
| 870 |
+
to the console each iteration.
|
| 871 |
+
alpha0 : float (default = 0.99995)
|
| 872 |
+
The maximal step size for Mehrota's predictor-corrector search
|
| 873 |
+
direction; see :math:`\beta_{3}` of [4]_ Table 8.1.
|
| 874 |
+
beta : float (default = 0.1)
|
| 875 |
+
The desired reduction of the path parameter :math:`\mu` (see [6]_)
|
| 876 |
+
when Mehrota's predictor-corrector is not in use (uncommon).
|
| 877 |
+
sparse : bool (default = False)
|
| 878 |
+
Set to ``True`` if the problem is to be treated as sparse after
|
| 879 |
+
presolve. If either ``A_eq`` or ``A_ub`` is a sparse matrix,
|
| 880 |
+
this option will automatically be set ``True``, and the problem
|
| 881 |
+
will be treated as sparse even during presolve. If your constraint
|
| 882 |
+
matrices contain mostly zeros and the problem is not very small (less
|
| 883 |
+
than about 100 constraints or variables), consider setting ``True``
|
| 884 |
+
or providing ``A_eq`` and ``A_ub`` as sparse matrices.
|
| 885 |
+
lstsq : bool (default = False)
|
| 886 |
+
Set to ``True`` if the problem is expected to be very poorly
|
| 887 |
+
conditioned. This should always be left ``False`` unless severe
|
| 888 |
+
numerical difficulties are encountered. Leave this at the default
|
| 889 |
+
unless you receive a warning message suggesting otherwise.
|
| 890 |
+
sym_pos : bool (default = True)
|
| 891 |
+
Leave ``True`` if the problem is expected to yield a well conditioned
|
| 892 |
+
symmetric positive definite normal equation matrix
|
| 893 |
+
(almost always). Leave this at the default unless you receive
|
| 894 |
+
a warning message suggesting otherwise.
|
| 895 |
+
cholesky : bool (default = True)
|
| 896 |
+
Set to ``True`` if the normal equations are to be solved by explicit
|
| 897 |
+
Cholesky decomposition followed by explicit forward/backward
|
| 898 |
+
substitution. This is typically faster for problems
|
| 899 |
+
that are numerically well-behaved.
|
| 900 |
+
pc : bool (default = True)
|
| 901 |
+
Leave ``True`` if the predictor-corrector method of Mehrota is to be
|
| 902 |
+
used. This is almost always (if not always) beneficial.
|
| 903 |
+
ip : bool (default = False)
|
| 904 |
+
Set to ``True`` if the improved initial point suggestion due to [4]_
|
| 905 |
+
Section 4.3 is desired. Whether this is beneficial or not
|
| 906 |
+
depends on the problem.
|
| 907 |
+
permc_spec : str (default = 'MMD_AT_PLUS_A')
|
| 908 |
+
(Has effect only with ``sparse = True``, ``lstsq = False``, ``sym_pos =
|
| 909 |
+
True``, and no SuiteSparse.)
|
| 910 |
+
A matrix is factorized in each iteration of the algorithm.
|
| 911 |
+
This option specifies how to permute the columns of the matrix for
|
| 912 |
+
sparsity preservation. Acceptable values are:
|
| 913 |
+
|
| 914 |
+
- ``NATURAL``: natural ordering.
|
| 915 |
+
- ``MMD_ATA``: minimum degree ordering on the structure of A^T A.
|
| 916 |
+
- ``MMD_AT_PLUS_A``: minimum degree ordering on the structure of A^T+A.
|
| 917 |
+
- ``COLAMD``: approximate minimum degree column ordering.
|
| 918 |
+
|
| 919 |
+
This option can impact the convergence of the
|
| 920 |
+
interior point algorithm; test different values to determine which
|
| 921 |
+
performs best for your problem. For more information, refer to
|
| 922 |
+
``scipy.sparse.linalg.splu``.
|
| 923 |
+
unknown_options : dict
|
| 924 |
+
Optional arguments not used by this particular solver. If
|
| 925 |
+
`unknown_options` is non-empty a warning is issued listing all
|
| 926 |
+
unused options.
|
| 927 |
+
|
| 928 |
+
Returns
|
| 929 |
+
-------
|
| 930 |
+
x : 1-D array
|
| 931 |
+
Solution vector.
|
| 932 |
+
status : int
|
| 933 |
+
An integer representing the exit status of the optimization::
|
| 934 |
+
|
| 935 |
+
0 : Optimization terminated successfully
|
| 936 |
+
1 : Iteration limit reached
|
| 937 |
+
2 : Problem appears to be infeasible
|
| 938 |
+
3 : Problem appears to be unbounded
|
| 939 |
+
4 : Serious numerical difficulties encountered
|
| 940 |
+
|
| 941 |
+
message : str
|
| 942 |
+
A string descriptor of the exit status of the optimization.
|
| 943 |
+
iteration : int
|
| 944 |
+
The number of iterations taken to solve the problem.
|
| 945 |
+
|
| 946 |
+
Notes
|
| 947 |
+
-----
|
| 948 |
+
This method implements the algorithm outlined in [4]_ with ideas from [8]_
|
| 949 |
+
and a structure inspired by the simpler methods of [6]_.
|
| 950 |
+
|
| 951 |
+
The primal-dual path following method begins with initial 'guesses' of
|
| 952 |
+
the primal and dual variables of the standard form problem and iteratively
|
| 953 |
+
attempts to solve the (nonlinear) Karush-Kuhn-Tucker conditions for the
|
| 954 |
+
problem with a gradually reduced logarithmic barrier term added to the
|
| 955 |
+
objective. This particular implementation uses a homogeneous self-dual
|
| 956 |
+
formulation, which provides certificates of infeasibility or unboundedness
|
| 957 |
+
where applicable.
|
| 958 |
+
|
| 959 |
+
The default initial point for the primal and dual variables is that
|
| 960 |
+
defined in [4]_ Section 4.4 Equation 8.22. Optionally (by setting initial
|
| 961 |
+
point option ``ip=True``), an alternate (potentially improved) starting
|
| 962 |
+
point can be calculated according to the additional recommendations of
|
| 963 |
+
[4]_ Section 4.4.
|
| 964 |
+
|
| 965 |
+
A search direction is calculated using the predictor-corrector method
|
| 966 |
+
(single correction) proposed by Mehrota and detailed in [4]_ Section 4.1.
|
| 967 |
+
(A potential improvement would be to implement the method of multiple
|
| 968 |
+
corrections described in [4]_ Section 4.2.) In practice, this is
|
| 969 |
+
accomplished by solving the normal equations, [4]_ Section 5.1 Equations
|
| 970 |
+
8.31 and 8.32, derived from the Newton equations [4]_ Section 5 Equations
|
| 971 |
+
8.25 (compare to [4]_ Section 4 Equations 8.6-8.8). The advantage of
|
| 972 |
+
solving the normal equations rather than 8.25 directly is that the
|
| 973 |
+
matrices involved are symmetric positive definite, so Cholesky
|
| 974 |
+
decomposition can be used rather than the more expensive LU factorization.
|
| 975 |
+
|
| 976 |
+
With default options, the solver used to perform the factorization depends
|
| 977 |
+
on third-party software availability and the conditioning of the problem.
|
| 978 |
+
|
| 979 |
+
For dense problems, solvers are tried in the following order:
|
| 980 |
+
|
| 981 |
+
1. ``scipy.linalg.cho_factor``
|
| 982 |
+
|
| 983 |
+
2. ``scipy.linalg.solve`` with option ``sym_pos=True``
|
| 984 |
+
|
| 985 |
+
3. ``scipy.linalg.solve`` with option ``sym_pos=False``
|
| 986 |
+
|
| 987 |
+
4. ``scipy.linalg.lstsq``
|
| 988 |
+
|
| 989 |
+
For sparse problems:
|
| 990 |
+
|
| 991 |
+
1. ``sksparse.cholmod.cholesky`` (if scikit-sparse and SuiteSparse are installed)
|
| 992 |
+
|
| 993 |
+
2. ``scipy.sparse.linalg.factorized``
|
| 994 |
+
(if scikit-umfpack and SuiteSparse are installed)
|
| 995 |
+
|
| 996 |
+
3. ``scipy.sparse.linalg.splu`` (which uses SuperLU distributed with SciPy)
|
| 997 |
+
|
| 998 |
+
4. ``scipy.sparse.linalg.lsqr``
|
| 999 |
+
|
| 1000 |
+
If the solver fails for any reason, successively more robust (but slower)
|
| 1001 |
+
solvers are attempted in the order indicated. Attempting, failing, and
|
| 1002 |
+
re-starting factorization can be time consuming, so if the problem is
|
| 1003 |
+
numerically challenging, options can be set to bypass solvers that are
|
| 1004 |
+
failing. Setting ``cholesky=False`` skips to solver 2,
|
| 1005 |
+
``sym_pos=False`` skips to solver 3, and ``lstsq=True`` skips
|
| 1006 |
+
to solver 4 for both sparse and dense problems.
|
| 1007 |
+
|
| 1008 |
+
Potential improvements for combatting issues associated with dense
|
| 1009 |
+
columns in otherwise sparse problems are outlined in [4]_ Section 5.3 and
|
| 1010 |
+
[10]_ Section 4.1-4.2; the latter also discusses the alleviation of
|
| 1011 |
+
accuracy issues associated with the substitution approach to free
|
| 1012 |
+
variables.
|
| 1013 |
+
|
| 1014 |
+
After calculating the search direction, the maximum possible step size
|
| 1015 |
+
that does not activate the non-negativity constraints is calculated, and
|
| 1016 |
+
the smaller of this step size and unity is applied (as in [4]_ Section
|
| 1017 |
+
4.1.) [4]_ Section 4.3 suggests improvements for choosing the step size.
|
| 1018 |
+
|
| 1019 |
+
The new point is tested according to the termination conditions of [4]_
|
| 1020 |
+
Section 4.5. The same tolerance, which can be set using the ``tol`` option,
|
| 1021 |
+
is used for all checks. (A potential improvement would be to expose
|
| 1022 |
+
the different tolerances to be set independently.) If optimality,
|
| 1023 |
+
unboundedness, or infeasibility is detected, the solve procedure
|
| 1024 |
+
terminates; otherwise it repeats.
|
| 1025 |
+
|
| 1026 |
+
The expected problem formulation differs between the top level ``linprog``
|
| 1027 |
+
module and the method specific solvers. The method specific solvers expect a
|
| 1028 |
+
problem in standard form:
|
| 1029 |
+
|
| 1030 |
+
Minimize::
|
| 1031 |
+
|
| 1032 |
+
c @ x
|
| 1033 |
+
|
| 1034 |
+
Subject to::
|
| 1035 |
+
|
| 1036 |
+
A @ x == b
|
| 1037 |
+
x >= 0
|
| 1038 |
+
|
| 1039 |
+
Whereas the top level ``linprog`` module expects a problem of form:
|
| 1040 |
+
|
| 1041 |
+
Minimize::
|
| 1042 |
+
|
| 1043 |
+
c @ x
|
| 1044 |
+
|
| 1045 |
+
Subject to::
|
| 1046 |
+
|
| 1047 |
+
A_ub @ x <= b_ub
|
| 1048 |
+
A_eq @ x == b_eq
|
| 1049 |
+
lb <= x <= ub
|
| 1050 |
+
|
| 1051 |
+
where ``lb = 0`` and ``ub = None`` unless set in ``bounds``.
|
| 1052 |
+
|
| 1053 |
+
The original problem contains equality, upper-bound and variable constraints
|
| 1054 |
+
whereas the method specific solver requires equality constraints and
|
| 1055 |
+
variable non-negativity.
|
| 1056 |
+
|
| 1057 |
+
``linprog`` module converts the original problem to standard form by
|
| 1058 |
+
converting the simple bounds to upper bound constraints, introducing
|
| 1059 |
+
non-negative slack variables for inequality constraints, and expressing
|
| 1060 |
+
unbounded variables as the difference between two non-negative variables.
|
| 1061 |
+
|
| 1062 |
+
|
| 1063 |
+
References
|
| 1064 |
+
----------
|
| 1065 |
+
.. [4] Andersen, Erling D., and Knud D. Andersen. "The MOSEK interior point
|
| 1066 |
+
optimizer for linear programming: an implementation of the
|
| 1067 |
+
homogeneous algorithm." High performance optimization. Springer US,
|
| 1068 |
+
2000. 197-232.
|
| 1069 |
+
.. [6] Freund, Robert M. "Primal-Dual Interior-Point Methods for Linear
|
| 1070 |
+
Programming based on Newton's Method." Unpublished Course Notes,
|
| 1071 |
+
March 2004. Available 2/25/2017 at
|
| 1072 |
+
https://ocw.mit.edu/courses/sloan-school-of-management/15-084j-nonlinear-programming-spring-2004/lecture-notes/lec14_int_pt_mthd.pdf
|
| 1073 |
+
.. [8] Andersen, Erling D., and Knud D. Andersen. "Presolving in linear
|
| 1074 |
+
programming." Mathematical Programming 71.2 (1995): 221-245.
|
| 1075 |
+
.. [9] Bertsimas, Dimitris, and J. Tsitsiklis. "Introduction to linear
|
| 1076 |
+
programming." Athena Scientific 1 (1997): 997.
|
| 1077 |
+
.. [10] Andersen, Erling D., et al. Implementation of interior point methods
|
| 1078 |
+
for large scale linear programming. HEC/Universite de Geneve, 1996.
|
| 1079 |
+
|
| 1080 |
+
"""
|
| 1081 |
+
|
| 1082 |
+
_check_unknown_options(unknown_options)
|
| 1083 |
+
|
| 1084 |
+
# These should be warnings, not errors
|
| 1085 |
+
if (cholesky or cholesky is None) and sparse and not has_cholmod:
|
| 1086 |
+
if cholesky:
|
| 1087 |
+
warn("Sparse cholesky is only available with scikit-sparse. "
|
| 1088 |
+
"Setting `cholesky = False`",
|
| 1089 |
+
OptimizeWarning, stacklevel=3)
|
| 1090 |
+
cholesky = False
|
| 1091 |
+
|
| 1092 |
+
if sparse and lstsq:
|
| 1093 |
+
warn("Option combination 'sparse':True and 'lstsq':True "
|
| 1094 |
+
"is not recommended.",
|
| 1095 |
+
OptimizeWarning, stacklevel=3)
|
| 1096 |
+
|
| 1097 |
+
if lstsq and cholesky:
|
| 1098 |
+
warn("Invalid option combination 'lstsq':True "
|
| 1099 |
+
"and 'cholesky':True; option 'cholesky' has no effect when "
|
| 1100 |
+
"'lstsq' is set True.",
|
| 1101 |
+
OptimizeWarning, stacklevel=3)
|
| 1102 |
+
|
| 1103 |
+
valid_permc_spec = ('NATURAL', 'MMD_ATA', 'MMD_AT_PLUS_A', 'COLAMD')
|
| 1104 |
+
if permc_spec.upper() not in valid_permc_spec:
|
| 1105 |
+
warn("Invalid permc_spec option: '" + str(permc_spec) + "'. "
|
| 1106 |
+
"Acceptable values are 'NATURAL', 'MMD_ATA', 'MMD_AT_PLUS_A', "
|
| 1107 |
+
"and 'COLAMD'. Reverting to default.",
|
| 1108 |
+
OptimizeWarning, stacklevel=3)
|
| 1109 |
+
permc_spec = 'MMD_AT_PLUS_A'
|
| 1110 |
+
|
| 1111 |
+
# This can be an error
|
| 1112 |
+
if not sym_pos and cholesky:
|
| 1113 |
+
raise ValueError(
|
| 1114 |
+
"Invalid option combination 'sym_pos':False "
|
| 1115 |
+
"and 'cholesky':True: Cholesky decomposition is only possible "
|
| 1116 |
+
"for symmetric positive definite matrices.")
|
| 1117 |
+
|
| 1118 |
+
cholesky = cholesky or (cholesky is None and sym_pos and not lstsq)
|
| 1119 |
+
|
| 1120 |
+
x, status, message, iteration = _ip_hsd(A, b, c, c0, alpha0, beta,
|
| 1121 |
+
maxiter, disp, tol, sparse,
|
| 1122 |
+
lstsq, sym_pos, cholesky,
|
| 1123 |
+
pc, ip, permc_spec, callback,
|
| 1124 |
+
postsolve_args)
|
| 1125 |
+
|
| 1126 |
+
return x, status, message, iteration
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog_rs.py
ADDED
|
@@ -0,0 +1,572 @@
|
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|
| 1 |
+
"""Revised simplex method for linear programming
|
| 2 |
+
|
| 3 |
+
The *revised simplex* method uses the method described in [1]_, except
|
| 4 |
+
that a factorization [2]_ of the basis matrix, rather than its inverse,
|
| 5 |
+
is efficiently maintained and used to solve the linear systems at each
|
| 6 |
+
iteration of the algorithm.
|
| 7 |
+
|
| 8 |
+
.. versionadded:: 1.3.0
|
| 9 |
+
|
| 10 |
+
References
|
| 11 |
+
----------
|
| 12 |
+
.. [1] Bertsimas, Dimitris, and J. Tsitsiklis. "Introduction to linear
|
| 13 |
+
programming." Athena Scientific 1 (1997): 997.
|
| 14 |
+
.. [2] Bartels, Richard H. "A stabilization of the simplex method."
|
| 15 |
+
Journal in Numerische Mathematik 16.5 (1971): 414-434.
|
| 16 |
+
|
| 17 |
+
"""
|
| 18 |
+
# Author: Matt Haberland
|
| 19 |
+
|
| 20 |
+
import numpy as np
|
| 21 |
+
from numpy.linalg import LinAlgError
|
| 22 |
+
|
| 23 |
+
from scipy.linalg import solve
|
| 24 |
+
from ._optimize import _check_unknown_options
|
| 25 |
+
from ._bglu_dense import LU
|
| 26 |
+
from ._bglu_dense import BGLU as BGLU
|
| 27 |
+
from ._linprog_util import _postsolve
|
| 28 |
+
from ._optimize import OptimizeResult
|
| 29 |
+
|
| 30 |
+
|
| 31 |
+
def _phase_one(A, b, x0, callback, postsolve_args, maxiter, tol, disp,
|
| 32 |
+
maxupdate, mast, pivot):
|
| 33 |
+
"""
|
| 34 |
+
The purpose of phase one is to find an initial basic feasible solution
|
| 35 |
+
(BFS) to the original problem.
|
| 36 |
+
|
| 37 |
+
Generates an auxiliary problem with a trivial BFS and an objective that
|
| 38 |
+
minimizes infeasibility of the original problem. Solves the auxiliary
|
| 39 |
+
problem using the main simplex routine (phase two). This either yields
|
| 40 |
+
a BFS to the original problem or determines that the original problem is
|
| 41 |
+
infeasible. If feasible, phase one detects redundant rows in the original
|
| 42 |
+
constraint matrix and removes them, then chooses additional indices as
|
| 43 |
+
necessary to complete a basis/BFS for the original problem.
|
| 44 |
+
"""
|
| 45 |
+
|
| 46 |
+
m, n = A.shape
|
| 47 |
+
status = 0
|
| 48 |
+
|
| 49 |
+
# generate auxiliary problem to get initial BFS
|
| 50 |
+
A, b, c, basis, x, status = _generate_auxiliary_problem(A, b, x0, tol)
|
| 51 |
+
|
| 52 |
+
if status == 6:
|
| 53 |
+
residual = c.dot(x)
|
| 54 |
+
iter_k = 0
|
| 55 |
+
return x, basis, A, b, residual, status, iter_k
|
| 56 |
+
|
| 57 |
+
# solve auxiliary problem
|
| 58 |
+
phase_one_n = n
|
| 59 |
+
iter_k = 0
|
| 60 |
+
x, basis, status, iter_k = _phase_two(c, A, x, basis, callback,
|
| 61 |
+
postsolve_args,
|
| 62 |
+
maxiter, tol, disp,
|
| 63 |
+
maxupdate, mast, pivot,
|
| 64 |
+
iter_k, phase_one_n)
|
| 65 |
+
|
| 66 |
+
# check for infeasibility
|
| 67 |
+
residual = c.dot(x)
|
| 68 |
+
if status == 0 and residual > tol:
|
| 69 |
+
status = 2
|
| 70 |
+
|
| 71 |
+
# drive artificial variables out of basis
|
| 72 |
+
# TODO: test redundant row removal better
|
| 73 |
+
# TODO: make solve more efficient with BGLU? This could take a while.
|
| 74 |
+
keep_rows = np.ones(m, dtype=bool)
|
| 75 |
+
for basis_column in basis[basis >= n]:
|
| 76 |
+
B = A[:, basis]
|
| 77 |
+
try:
|
| 78 |
+
basis_finder = np.abs(solve(B, A)) # inefficient
|
| 79 |
+
pertinent_row = np.argmax(basis_finder[:, basis_column])
|
| 80 |
+
eligible_columns = np.ones(n, dtype=bool)
|
| 81 |
+
eligible_columns[basis[basis < n]] = 0
|
| 82 |
+
eligible_column_indices = np.where(eligible_columns)[0]
|
| 83 |
+
index = np.argmax(basis_finder[:, :n]
|
| 84 |
+
[pertinent_row, eligible_columns])
|
| 85 |
+
new_basis_column = eligible_column_indices[index]
|
| 86 |
+
if basis_finder[pertinent_row, new_basis_column] < tol:
|
| 87 |
+
keep_rows[pertinent_row] = False
|
| 88 |
+
else:
|
| 89 |
+
basis[basis == basis_column] = new_basis_column
|
| 90 |
+
except LinAlgError:
|
| 91 |
+
status = 4
|
| 92 |
+
|
| 93 |
+
# form solution to original problem
|
| 94 |
+
A = A[keep_rows, :n]
|
| 95 |
+
basis = basis[keep_rows]
|
| 96 |
+
x = x[:n]
|
| 97 |
+
m = A.shape[0]
|
| 98 |
+
return x, basis, A, b, residual, status, iter_k
|
| 99 |
+
|
| 100 |
+
|
| 101 |
+
def _get_more_basis_columns(A, basis):
|
| 102 |
+
"""
|
| 103 |
+
Called when the auxiliary problem terminates with artificial columns in
|
| 104 |
+
the basis, which must be removed and replaced with non-artificial
|
| 105 |
+
columns. Finds additional columns that do not make the matrix singular.
|
| 106 |
+
"""
|
| 107 |
+
m, n = A.shape
|
| 108 |
+
|
| 109 |
+
# options for inclusion are those that aren't already in the basis
|
| 110 |
+
a = np.arange(m+n)
|
| 111 |
+
bl = np.zeros(len(a), dtype=bool)
|
| 112 |
+
bl[basis] = 1
|
| 113 |
+
options = a[~bl]
|
| 114 |
+
options = options[options < n] # and they have to be non-artificial
|
| 115 |
+
|
| 116 |
+
# form basis matrix
|
| 117 |
+
B = np.zeros((m, m))
|
| 118 |
+
B[:, 0:len(basis)] = A[:, basis]
|
| 119 |
+
|
| 120 |
+
if (basis.size > 0 and
|
| 121 |
+
np.linalg.matrix_rank(B[:, :len(basis)]) < len(basis)):
|
| 122 |
+
raise Exception("Basis has dependent columns")
|
| 123 |
+
|
| 124 |
+
rank = 0 # just enter the loop
|
| 125 |
+
for i in range(n): # somewhat arbitrary, but we need another way out
|
| 126 |
+
# permute the options, and take as many as needed
|
| 127 |
+
new_basis = np.random.permutation(options)[:m-len(basis)]
|
| 128 |
+
B[:, len(basis):] = A[:, new_basis] # update the basis matrix
|
| 129 |
+
rank = np.linalg.matrix_rank(B) # check the rank
|
| 130 |
+
if rank == m:
|
| 131 |
+
break
|
| 132 |
+
|
| 133 |
+
return np.concatenate((basis, new_basis))
|
| 134 |
+
|
| 135 |
+
|
| 136 |
+
def _generate_auxiliary_problem(A, b, x0, tol):
|
| 137 |
+
"""
|
| 138 |
+
Modifies original problem to create an auxiliary problem with a trivial
|
| 139 |
+
initial basic feasible solution and an objective that minimizes
|
| 140 |
+
infeasibility in the original problem.
|
| 141 |
+
|
| 142 |
+
Conceptually, this is done by stacking an identity matrix on the right of
|
| 143 |
+
the original constraint matrix, adding artificial variables to correspond
|
| 144 |
+
with each of these new columns, and generating a cost vector that is all
|
| 145 |
+
zeros except for ones corresponding with each of the new variables.
|
| 146 |
+
|
| 147 |
+
A initial basic feasible solution is trivial: all variables are zero
|
| 148 |
+
except for the artificial variables, which are set equal to the
|
| 149 |
+
corresponding element of the right hand side `b`.
|
| 150 |
+
|
| 151 |
+
Running the simplex method on this auxiliary problem drives all of the
|
| 152 |
+
artificial variables - and thus the cost - to zero if the original problem
|
| 153 |
+
is feasible. The original problem is declared infeasible otherwise.
|
| 154 |
+
|
| 155 |
+
Much of the complexity below is to improve efficiency by using singleton
|
| 156 |
+
columns in the original problem where possible, thus generating artificial
|
| 157 |
+
variables only as necessary, and using an initial 'guess' basic feasible
|
| 158 |
+
solution.
|
| 159 |
+
"""
|
| 160 |
+
status = 0
|
| 161 |
+
m, n = A.shape
|
| 162 |
+
|
| 163 |
+
if x0 is not None:
|
| 164 |
+
x = x0
|
| 165 |
+
else:
|
| 166 |
+
x = np.zeros(n)
|
| 167 |
+
|
| 168 |
+
r = b - A@x # residual; this must be all zeros for feasibility
|
| 169 |
+
|
| 170 |
+
A[r < 0] = -A[r < 0] # express problem with RHS positive for trivial BFS
|
| 171 |
+
b[r < 0] = -b[r < 0] # to the auxiliary problem
|
| 172 |
+
r[r < 0] *= -1
|
| 173 |
+
|
| 174 |
+
# Rows which we will need to find a trivial way to zero.
|
| 175 |
+
# This should just be the rows where there is a nonzero residual.
|
| 176 |
+
# But then we would not necessarily have a column singleton in every row.
|
| 177 |
+
# This makes it difficult to find an initial basis.
|
| 178 |
+
if x0 is None:
|
| 179 |
+
nonzero_constraints = np.arange(m)
|
| 180 |
+
else:
|
| 181 |
+
nonzero_constraints = np.where(r > tol)[0]
|
| 182 |
+
|
| 183 |
+
# these are (at least some of) the initial basis columns
|
| 184 |
+
basis = np.where(np.abs(x) > tol)[0]
|
| 185 |
+
|
| 186 |
+
if len(nonzero_constraints) == 0 and len(basis) <= m: # already a BFS
|
| 187 |
+
c = np.zeros(n)
|
| 188 |
+
basis = _get_more_basis_columns(A, basis)
|
| 189 |
+
return A, b, c, basis, x, status
|
| 190 |
+
elif (len(nonzero_constraints) > m - len(basis) or
|
| 191 |
+
np.any(x < 0)): # can't get trivial BFS
|
| 192 |
+
c = np.zeros(n)
|
| 193 |
+
status = 6
|
| 194 |
+
return A, b, c, basis, x, status
|
| 195 |
+
|
| 196 |
+
# chooses existing columns appropriate for inclusion in initial basis
|
| 197 |
+
cols, rows = _select_singleton_columns(A, r)
|
| 198 |
+
|
| 199 |
+
# find the rows we need to zero that we _can_ zero with column singletons
|
| 200 |
+
i_tofix = np.isin(rows, nonzero_constraints)
|
| 201 |
+
# these columns can't already be in the basis, though
|
| 202 |
+
# we are going to add them to the basis and change the corresponding x val
|
| 203 |
+
i_notinbasis = np.logical_not(np.isin(cols, basis))
|
| 204 |
+
i_fix_without_aux = np.logical_and(i_tofix, i_notinbasis)
|
| 205 |
+
rows = rows[i_fix_without_aux]
|
| 206 |
+
cols = cols[i_fix_without_aux]
|
| 207 |
+
|
| 208 |
+
# indices of the rows we can only zero with auxiliary variable
|
| 209 |
+
# these rows will get a one in each auxiliary column
|
| 210 |
+
arows = nonzero_constraints[np.logical_not(
|
| 211 |
+
np.isin(nonzero_constraints, rows))]
|
| 212 |
+
n_aux = len(arows)
|
| 213 |
+
acols = n + np.arange(n_aux) # indices of auxiliary columns
|
| 214 |
+
|
| 215 |
+
basis_ng = np.concatenate((cols, acols)) # basis columns not from guess
|
| 216 |
+
basis_ng_rows = np.concatenate((rows, arows)) # rows we need to zero
|
| 217 |
+
|
| 218 |
+
# add auxiliary singleton columns
|
| 219 |
+
A = np.hstack((A, np.zeros((m, n_aux))))
|
| 220 |
+
A[arows, acols] = 1
|
| 221 |
+
|
| 222 |
+
# generate initial BFS
|
| 223 |
+
x = np.concatenate((x, np.zeros(n_aux)))
|
| 224 |
+
x[basis_ng] = r[basis_ng_rows]/A[basis_ng_rows, basis_ng]
|
| 225 |
+
|
| 226 |
+
# generate costs to minimize infeasibility
|
| 227 |
+
c = np.zeros(n_aux + n)
|
| 228 |
+
c[acols] = 1
|
| 229 |
+
|
| 230 |
+
# basis columns correspond with nonzeros in guess, those with column
|
| 231 |
+
# singletons we used to zero remaining constraints, and any additional
|
| 232 |
+
# columns to get a full set (m columns)
|
| 233 |
+
basis = np.concatenate((basis, basis_ng))
|
| 234 |
+
basis = _get_more_basis_columns(A, basis) # add columns as needed
|
| 235 |
+
|
| 236 |
+
return A, b, c, basis, x, status
|
| 237 |
+
|
| 238 |
+
|
| 239 |
+
def _select_singleton_columns(A, b):
|
| 240 |
+
"""
|
| 241 |
+
Finds singleton columns for which the singleton entry is of the same sign
|
| 242 |
+
as the right-hand side; these columns are eligible for inclusion in an
|
| 243 |
+
initial basis. Determines the rows in which the singleton entries are
|
| 244 |
+
located. For each of these rows, returns the indices of the one singleton
|
| 245 |
+
column and its corresponding row.
|
| 246 |
+
"""
|
| 247 |
+
# find indices of all singleton columns and corresponding row indices
|
| 248 |
+
column_indices = np.nonzero(np.sum(np.abs(A) != 0, axis=0) == 1)[0]
|
| 249 |
+
columns = A[:, column_indices] # array of singleton columns
|
| 250 |
+
row_indices = np.zeros(len(column_indices), dtype=int)
|
| 251 |
+
nonzero_rows, nonzero_columns = np.nonzero(columns)
|
| 252 |
+
row_indices[nonzero_columns] = nonzero_rows # corresponding row indices
|
| 253 |
+
|
| 254 |
+
# keep only singletons with entries that have same sign as RHS
|
| 255 |
+
# this is necessary because all elements of BFS must be non-negative
|
| 256 |
+
same_sign = A[row_indices, column_indices]*b[row_indices] >= 0
|
| 257 |
+
column_indices = column_indices[same_sign][::-1]
|
| 258 |
+
row_indices = row_indices[same_sign][::-1]
|
| 259 |
+
# Reversing the order so that steps below select rightmost columns
|
| 260 |
+
# for initial basis, which will tend to be slack variables. (If the
|
| 261 |
+
# guess corresponds with a basic feasible solution but a constraint
|
| 262 |
+
# is not satisfied with the corresponding slack variable zero, the slack
|
| 263 |
+
# variable must be basic.)
|
| 264 |
+
|
| 265 |
+
# for each row, keep rightmost singleton column with an entry in that row
|
| 266 |
+
unique_row_indices, first_columns = np.unique(row_indices,
|
| 267 |
+
return_index=True)
|
| 268 |
+
return column_indices[first_columns], unique_row_indices
|
| 269 |
+
|
| 270 |
+
|
| 271 |
+
def _find_nonzero_rows(A, tol):
|
| 272 |
+
"""
|
| 273 |
+
Returns logical array indicating the locations of rows with at least
|
| 274 |
+
one nonzero element.
|
| 275 |
+
"""
|
| 276 |
+
return np.any(np.abs(A) > tol, axis=1)
|
| 277 |
+
|
| 278 |
+
|
| 279 |
+
def _select_enter_pivot(c_hat, bl, a, rule="bland", tol=1e-12):
|
| 280 |
+
"""
|
| 281 |
+
Selects a pivot to enter the basis. Currently Bland's rule - the smallest
|
| 282 |
+
index that has a negative reduced cost - is the default.
|
| 283 |
+
"""
|
| 284 |
+
if rule.lower() == "mrc": # index with minimum reduced cost
|
| 285 |
+
return a[~bl][np.argmin(c_hat)]
|
| 286 |
+
else: # smallest index w/ negative reduced cost
|
| 287 |
+
return a[~bl][c_hat < -tol][0]
|
| 288 |
+
|
| 289 |
+
|
| 290 |
+
def _display_iter(phase, iteration, slack, con, fun):
|
| 291 |
+
"""
|
| 292 |
+
Print indicators of optimization status to the console.
|
| 293 |
+
"""
|
| 294 |
+
header = True if not iteration % 20 else False
|
| 295 |
+
|
| 296 |
+
if header:
|
| 297 |
+
print("Phase",
|
| 298 |
+
"Iteration",
|
| 299 |
+
"Minimum Slack ",
|
| 300 |
+
"Constraint Residual",
|
| 301 |
+
"Objective ")
|
| 302 |
+
|
| 303 |
+
# :<X.Y left aligns Y digits in X digit spaces
|
| 304 |
+
fmt = '{0:<6}{1:<10}{2:<20.13}{3:<20.13}{4:<20.13}'
|
| 305 |
+
try:
|
| 306 |
+
slack = np.min(slack)
|
| 307 |
+
except ValueError:
|
| 308 |
+
slack = "NA"
|
| 309 |
+
print(fmt.format(phase, iteration, slack, np.linalg.norm(con), fun))
|
| 310 |
+
|
| 311 |
+
|
| 312 |
+
def _display_and_callback(phase_one_n, x, postsolve_args, status,
|
| 313 |
+
iteration, disp, callback):
|
| 314 |
+
if phase_one_n is not None:
|
| 315 |
+
phase = 1
|
| 316 |
+
x_postsolve = x[:phase_one_n]
|
| 317 |
+
else:
|
| 318 |
+
phase = 2
|
| 319 |
+
x_postsolve = x
|
| 320 |
+
x_o, fun, slack, con = _postsolve(x_postsolve,
|
| 321 |
+
postsolve_args)
|
| 322 |
+
|
| 323 |
+
if callback is not None:
|
| 324 |
+
res = OptimizeResult({'x': x_o, 'fun': fun, 'slack': slack,
|
| 325 |
+
'con': con, 'nit': iteration,
|
| 326 |
+
'phase': phase, 'complete': False,
|
| 327 |
+
'status': status, 'message': "",
|
| 328 |
+
'success': False})
|
| 329 |
+
callback(res)
|
| 330 |
+
if disp:
|
| 331 |
+
_display_iter(phase, iteration, slack, con, fun)
|
| 332 |
+
|
| 333 |
+
|
| 334 |
+
def _phase_two(c, A, x, b, callback, postsolve_args, maxiter, tol, disp,
|
| 335 |
+
maxupdate, mast, pivot, iteration=0, phase_one_n=None):
|
| 336 |
+
"""
|
| 337 |
+
The heart of the simplex method. Beginning with a basic feasible solution,
|
| 338 |
+
moves to adjacent basic feasible solutions successively lower reduced cost.
|
| 339 |
+
Terminates when there are no basic feasible solutions with lower reduced
|
| 340 |
+
cost or if the problem is determined to be unbounded.
|
| 341 |
+
|
| 342 |
+
This implementation follows the revised simplex method based on LU
|
| 343 |
+
decomposition. Rather than maintaining a tableau or an inverse of the
|
| 344 |
+
basis matrix, we keep a factorization of the basis matrix that allows
|
| 345 |
+
efficient solution of linear systems while avoiding stability issues
|
| 346 |
+
associated with inverted matrices.
|
| 347 |
+
"""
|
| 348 |
+
m, n = A.shape
|
| 349 |
+
status = 0
|
| 350 |
+
a = np.arange(n) # indices of columns of A
|
| 351 |
+
ab = np.arange(m) # indices of columns of B
|
| 352 |
+
if maxupdate:
|
| 353 |
+
# basis matrix factorization object; similar to B = A[:, b]
|
| 354 |
+
B = BGLU(A, b, maxupdate, mast)
|
| 355 |
+
else:
|
| 356 |
+
B = LU(A, b)
|
| 357 |
+
|
| 358 |
+
for iteration in range(iteration, maxiter):
|
| 359 |
+
|
| 360 |
+
if disp or callback is not None:
|
| 361 |
+
_display_and_callback(phase_one_n, x, postsolve_args, status,
|
| 362 |
+
iteration, disp, callback)
|
| 363 |
+
|
| 364 |
+
bl = np.zeros(len(a), dtype=bool)
|
| 365 |
+
bl[b] = 1
|
| 366 |
+
|
| 367 |
+
xb = x[b] # basic variables
|
| 368 |
+
cb = c[b] # basic costs
|
| 369 |
+
|
| 370 |
+
try:
|
| 371 |
+
v = B.solve(cb, transposed=True) # similar to v = solve(B.T, cb)
|
| 372 |
+
except LinAlgError:
|
| 373 |
+
status = 4
|
| 374 |
+
break
|
| 375 |
+
|
| 376 |
+
# TODO: cythonize?
|
| 377 |
+
c_hat = c - v.dot(A) # reduced cost
|
| 378 |
+
c_hat = c_hat[~bl]
|
| 379 |
+
# Above is much faster than:
|
| 380 |
+
# N = A[:, ~bl] # slow!
|
| 381 |
+
# c_hat = c[~bl] - v.T.dot(N)
|
| 382 |
+
# Can we perform the multiplication only on the nonbasic columns?
|
| 383 |
+
|
| 384 |
+
if np.all(c_hat >= -tol): # all reduced costs positive -> terminate
|
| 385 |
+
break
|
| 386 |
+
|
| 387 |
+
j = _select_enter_pivot(c_hat, bl, a, rule=pivot, tol=tol)
|
| 388 |
+
u = B.solve(A[:, j]) # similar to u = solve(B, A[:, j])
|
| 389 |
+
|
| 390 |
+
i = u > tol # if none of the u are positive, unbounded
|
| 391 |
+
if not np.any(i):
|
| 392 |
+
status = 3
|
| 393 |
+
break
|
| 394 |
+
|
| 395 |
+
th = xb[i]/u[i]
|
| 396 |
+
l = np.argmin(th) # implicitly selects smallest subscript
|
| 397 |
+
th_star = th[l] # step size
|
| 398 |
+
|
| 399 |
+
x[b] = x[b] - th_star*u # take step
|
| 400 |
+
x[j] = th_star
|
| 401 |
+
B.update(ab[i][l], j) # modify basis
|
| 402 |
+
b = B.b # similar to b[ab[i][l]] =
|
| 403 |
+
|
| 404 |
+
else:
|
| 405 |
+
# If the end of the for loop is reached (without a break statement),
|
| 406 |
+
# then another step has been taken, so the iteration counter should
|
| 407 |
+
# increment, info should be displayed, and callback should be called.
|
| 408 |
+
iteration += 1
|
| 409 |
+
status = 1
|
| 410 |
+
if disp or callback is not None:
|
| 411 |
+
_display_and_callback(phase_one_n, x, postsolve_args, status,
|
| 412 |
+
iteration, disp, callback)
|
| 413 |
+
|
| 414 |
+
return x, b, status, iteration
|
| 415 |
+
|
| 416 |
+
|
| 417 |
+
def _linprog_rs(c, c0, A, b, x0, callback, postsolve_args,
|
| 418 |
+
maxiter=5000, tol=1e-12, disp=False,
|
| 419 |
+
maxupdate=10, mast=False, pivot="mrc",
|
| 420 |
+
**unknown_options):
|
| 421 |
+
"""
|
| 422 |
+
Solve the following linear programming problem via a two-phase
|
| 423 |
+
revised simplex algorithm.::
|
| 424 |
+
|
| 425 |
+
minimize: c @ x
|
| 426 |
+
|
| 427 |
+
subject to: A @ x == b
|
| 428 |
+
0 <= x < oo
|
| 429 |
+
|
| 430 |
+
User-facing documentation is in _linprog_doc.py.
|
| 431 |
+
|
| 432 |
+
Parameters
|
| 433 |
+
----------
|
| 434 |
+
c : 1-D array
|
| 435 |
+
Coefficients of the linear objective function to be minimized.
|
| 436 |
+
c0 : float
|
| 437 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 438 |
+
variables. (Currently unused.)
|
| 439 |
+
A : 2-D array
|
| 440 |
+
2-D array which, when matrix-multiplied by ``x``, gives the values of
|
| 441 |
+
the equality constraints at ``x``.
|
| 442 |
+
b : 1-D array
|
| 443 |
+
1-D array of values representing the RHS of each equality constraint
|
| 444 |
+
(row) in ``A_eq``.
|
| 445 |
+
x0 : 1-D array, optional
|
| 446 |
+
Starting values of the independent variables, which will be refined by
|
| 447 |
+
the optimization algorithm. For the revised simplex method, these must
|
| 448 |
+
correspond with a basic feasible solution.
|
| 449 |
+
callback : callable, optional
|
| 450 |
+
If a callback function is provided, it will be called within each
|
| 451 |
+
iteration of the algorithm. The callback function must accept a single
|
| 452 |
+
`scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 453 |
+
|
| 454 |
+
x : 1-D array
|
| 455 |
+
Current solution vector.
|
| 456 |
+
fun : float
|
| 457 |
+
Current value of the objective function ``c @ x``.
|
| 458 |
+
success : bool
|
| 459 |
+
True only when an algorithm has completed successfully,
|
| 460 |
+
so this is always False as the callback function is called
|
| 461 |
+
only while the algorithm is still iterating.
|
| 462 |
+
slack : 1-D array
|
| 463 |
+
The values of the slack variables. Each slack variable
|
| 464 |
+
corresponds to an inequality constraint. If the slack is zero,
|
| 465 |
+
the corresponding constraint is active.
|
| 466 |
+
con : 1-D array
|
| 467 |
+
The (nominally zero) residuals of the equality constraints,
|
| 468 |
+
that is, ``b - A_eq @ x``.
|
| 469 |
+
phase : int
|
| 470 |
+
The phase of the algorithm being executed.
|
| 471 |
+
status : int
|
| 472 |
+
For revised simplex, this is always 0 because if a different
|
| 473 |
+
status is detected, the algorithm terminates.
|
| 474 |
+
nit : int
|
| 475 |
+
The number of iterations performed.
|
| 476 |
+
message : str
|
| 477 |
+
A string descriptor of the exit status of the optimization.
|
| 478 |
+
postsolve_args : tuple
|
| 479 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 480 |
+
problem into the solution to the original problem.
|
| 481 |
+
|
| 482 |
+
Options
|
| 483 |
+
-------
|
| 484 |
+
maxiter : int
|
| 485 |
+
The maximum number of iterations to perform in either phase.
|
| 486 |
+
tol : float
|
| 487 |
+
The tolerance which determines when a solution is "close enough" to
|
| 488 |
+
zero in Phase 1 to be considered a basic feasible solution or close
|
| 489 |
+
enough to positive to serve as an optimal solution.
|
| 490 |
+
disp : bool
|
| 491 |
+
Set to ``True`` if indicators of optimization status are to be printed
|
| 492 |
+
to the console each iteration.
|
| 493 |
+
maxupdate : int
|
| 494 |
+
The maximum number of updates performed on the LU factorization.
|
| 495 |
+
After this many updates is reached, the basis matrix is factorized
|
| 496 |
+
from scratch.
|
| 497 |
+
mast : bool
|
| 498 |
+
Minimize Amortized Solve Time. If enabled, the average time to solve
|
| 499 |
+
a linear system using the basis factorization is measured. Typically,
|
| 500 |
+
the average solve time will decrease with each successive solve after
|
| 501 |
+
initial factorization, as factorization takes much more time than the
|
| 502 |
+
solve operation (and updates). Eventually, however, the updated
|
| 503 |
+
factorization becomes sufficiently complex that the average solve time
|
| 504 |
+
begins to increase. When this is detected, the basis is refactorized
|
| 505 |
+
from scratch. Enable this option to maximize speed at the risk of
|
| 506 |
+
nondeterministic behavior. Ignored if ``maxupdate`` is 0.
|
| 507 |
+
pivot : "mrc" or "bland"
|
| 508 |
+
Pivot rule: Minimum Reduced Cost (default) or Bland's rule. Choose
|
| 509 |
+
Bland's rule if iteration limit is reached and cycling is suspected.
|
| 510 |
+
unknown_options : dict
|
| 511 |
+
Optional arguments not used by this particular solver. If
|
| 512 |
+
`unknown_options` is non-empty a warning is issued listing all
|
| 513 |
+
unused options.
|
| 514 |
+
|
| 515 |
+
Returns
|
| 516 |
+
-------
|
| 517 |
+
x : 1-D array
|
| 518 |
+
Solution vector.
|
| 519 |
+
status : int
|
| 520 |
+
An integer representing the exit status of the optimization::
|
| 521 |
+
|
| 522 |
+
0 : Optimization terminated successfully
|
| 523 |
+
1 : Iteration limit reached
|
| 524 |
+
2 : Problem appears to be infeasible
|
| 525 |
+
3 : Problem appears to be unbounded
|
| 526 |
+
4 : Numerical difficulties encountered
|
| 527 |
+
5 : No constraints; turn presolve on
|
| 528 |
+
6 : Guess x0 cannot be converted to a basic feasible solution
|
| 529 |
+
|
| 530 |
+
message : str
|
| 531 |
+
A string descriptor of the exit status of the optimization.
|
| 532 |
+
iteration : int
|
| 533 |
+
The number of iterations taken to solve the problem.
|
| 534 |
+
"""
|
| 535 |
+
|
| 536 |
+
_check_unknown_options(unknown_options)
|
| 537 |
+
|
| 538 |
+
messages = ["Optimization terminated successfully.",
|
| 539 |
+
"Iteration limit reached.",
|
| 540 |
+
"The problem appears infeasible, as the phase one auxiliary "
|
| 541 |
+
"problem terminated successfully with a residual of {0:.1e}, "
|
| 542 |
+
"greater than the tolerance {1} required for the solution to "
|
| 543 |
+
"be considered feasible. Consider increasing the tolerance to "
|
| 544 |
+
"be greater than {0:.1e}. If this tolerance is unnaceptably "
|
| 545 |
+
"large, the problem is likely infeasible.",
|
| 546 |
+
"The problem is unbounded, as the simplex algorithm found "
|
| 547 |
+
"a basic feasible solution from which there is a direction "
|
| 548 |
+
"with negative reduced cost in which all decision variables "
|
| 549 |
+
"increase.",
|
| 550 |
+
"Numerical difficulties encountered; consider trying "
|
| 551 |
+
"method='interior-point'.",
|
| 552 |
+
"Problems with no constraints are trivially solved; please "
|
| 553 |
+
"turn presolve on.",
|
| 554 |
+
"The guess x0 cannot be converted to a basic feasible "
|
| 555 |
+
"solution. "
|
| 556 |
+
]
|
| 557 |
+
|
| 558 |
+
if A.size == 0: # address test_unbounded_below_no_presolve_corrected
|
| 559 |
+
return np.zeros(c.shape), 5, messages[5], 0
|
| 560 |
+
|
| 561 |
+
x, basis, A, b, residual, status, iteration = (
|
| 562 |
+
_phase_one(A, b, x0, callback, postsolve_args,
|
| 563 |
+
maxiter, tol, disp, maxupdate, mast, pivot))
|
| 564 |
+
|
| 565 |
+
if status == 0:
|
| 566 |
+
x, basis, status, iteration = _phase_two(c, A, x, basis, callback,
|
| 567 |
+
postsolve_args,
|
| 568 |
+
maxiter, tol, disp,
|
| 569 |
+
maxupdate, mast, pivot,
|
| 570 |
+
iteration)
|
| 571 |
+
|
| 572 |
+
return x, status, messages[status].format(residual, tol), iteration
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog_simplex.py
ADDED
|
@@ -0,0 +1,661 @@
|
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|
|
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|
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|
|
|
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|
|
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|
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|
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|
|
|
|
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|
|
|
|
|
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|
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|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
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|
|
|
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|
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|
|
|
|
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|
|
| 1 |
+
"""Simplex method for linear programming
|
| 2 |
+
|
| 3 |
+
The *simplex* method uses a traditional, full-tableau implementation of
|
| 4 |
+
Dantzig's simplex algorithm [1]_, [2]_ (*not* the Nelder-Mead simplex).
|
| 5 |
+
This algorithm is included for backwards compatibility and educational
|
| 6 |
+
purposes.
|
| 7 |
+
|
| 8 |
+
.. versionadded:: 0.15.0
|
| 9 |
+
|
| 10 |
+
Warnings
|
| 11 |
+
--------
|
| 12 |
+
|
| 13 |
+
The simplex method may encounter numerical difficulties when pivot
|
| 14 |
+
values are close to the specified tolerance. If encountered try
|
| 15 |
+
remove any redundant constraints, change the pivot strategy to Bland's
|
| 16 |
+
rule or increase the tolerance value.
|
| 17 |
+
|
| 18 |
+
Alternatively, more robust methods maybe be used. See
|
| 19 |
+
:ref:`'interior-point' <optimize.linprog-interior-point>` and
|
| 20 |
+
:ref:`'revised simplex' <optimize.linprog-revised_simplex>`.
|
| 21 |
+
|
| 22 |
+
References
|
| 23 |
+
----------
|
| 24 |
+
.. [1] Dantzig, George B., Linear programming and extensions. Rand
|
| 25 |
+
Corporation Research Study Princeton Univ. Press, Princeton, NJ,
|
| 26 |
+
1963
|
| 27 |
+
.. [2] Hillier, S.H. and Lieberman, G.J. (1995), "Introduction to
|
| 28 |
+
Mathematical Programming", McGraw-Hill, Chapter 4.
|
| 29 |
+
"""
|
| 30 |
+
|
| 31 |
+
import numpy as np
|
| 32 |
+
from warnings import warn
|
| 33 |
+
from ._optimize import OptimizeResult, OptimizeWarning, _check_unknown_options
|
| 34 |
+
from ._linprog_util import _postsolve
|
| 35 |
+
|
| 36 |
+
|
| 37 |
+
def _pivot_col(T, tol=1e-9, bland=False):
|
| 38 |
+
"""
|
| 39 |
+
Given a linear programming simplex tableau, determine the column
|
| 40 |
+
of the variable to enter the basis.
|
| 41 |
+
|
| 42 |
+
Parameters
|
| 43 |
+
----------
|
| 44 |
+
T : 2-D array
|
| 45 |
+
A 2-D array representing the simplex tableau, T, corresponding to the
|
| 46 |
+
linear programming problem. It should have the form:
|
| 47 |
+
|
| 48 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 49 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 50 |
+
.
|
| 51 |
+
.
|
| 52 |
+
.
|
| 53 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 54 |
+
[c[0], c[1], ..., c[n_total], 0]]
|
| 55 |
+
|
| 56 |
+
for a Phase 2 problem, or the form:
|
| 57 |
+
|
| 58 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 59 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 60 |
+
.
|
| 61 |
+
.
|
| 62 |
+
.
|
| 63 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 64 |
+
[c[0], c[1], ..., c[n_total], 0],
|
| 65 |
+
[c'[0], c'[1], ..., c'[n_total], 0]]
|
| 66 |
+
|
| 67 |
+
for a Phase 1 problem (a problem in which a basic feasible solution is
|
| 68 |
+
sought prior to maximizing the actual objective. ``T`` is modified in
|
| 69 |
+
place by ``_solve_simplex``.
|
| 70 |
+
tol : float
|
| 71 |
+
Elements in the objective row larger than -tol will not be considered
|
| 72 |
+
for pivoting. Nominally this value is zero, but numerical issues
|
| 73 |
+
cause a tolerance about zero to be necessary.
|
| 74 |
+
bland : bool
|
| 75 |
+
If True, use Bland's rule for selection of the column (select the
|
| 76 |
+
first column with a negative coefficient in the objective row,
|
| 77 |
+
regardless of magnitude).
|
| 78 |
+
|
| 79 |
+
Returns
|
| 80 |
+
-------
|
| 81 |
+
status: bool
|
| 82 |
+
True if a suitable pivot column was found, otherwise False.
|
| 83 |
+
A return of False indicates that the linear programming simplex
|
| 84 |
+
algorithm is complete.
|
| 85 |
+
col: int
|
| 86 |
+
The index of the column of the pivot element.
|
| 87 |
+
If status is False, col will be returned as nan.
|
| 88 |
+
"""
|
| 89 |
+
ma = np.ma.masked_where(T[-1, :-1] >= -tol, T[-1, :-1], copy=False)
|
| 90 |
+
if ma.count() == 0:
|
| 91 |
+
return False, np.nan
|
| 92 |
+
if bland:
|
| 93 |
+
# ma.mask is sometimes 0d
|
| 94 |
+
return True, np.nonzero(np.logical_not(np.atleast_1d(ma.mask)))[0][0]
|
| 95 |
+
return True, np.ma.nonzero(ma == ma.min())[0][0]
|
| 96 |
+
|
| 97 |
+
|
| 98 |
+
def _pivot_row(T, basis, pivcol, phase, tol=1e-9, bland=False):
|
| 99 |
+
"""
|
| 100 |
+
Given a linear programming simplex tableau, determine the row for the
|
| 101 |
+
pivot operation.
|
| 102 |
+
|
| 103 |
+
Parameters
|
| 104 |
+
----------
|
| 105 |
+
T : 2-D array
|
| 106 |
+
A 2-D array representing the simplex tableau, T, corresponding to the
|
| 107 |
+
linear programming problem. It should have the form:
|
| 108 |
+
|
| 109 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 110 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 111 |
+
.
|
| 112 |
+
.
|
| 113 |
+
.
|
| 114 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 115 |
+
[c[0], c[1], ..., c[n_total], 0]]
|
| 116 |
+
|
| 117 |
+
for a Phase 2 problem, or the form:
|
| 118 |
+
|
| 119 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 120 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 121 |
+
.
|
| 122 |
+
.
|
| 123 |
+
.
|
| 124 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 125 |
+
[c[0], c[1], ..., c[n_total], 0],
|
| 126 |
+
[c'[0], c'[1], ..., c'[n_total], 0]]
|
| 127 |
+
|
| 128 |
+
for a Phase 1 problem (a Problem in which a basic feasible solution is
|
| 129 |
+
sought prior to maximizing the actual objective. ``T`` is modified in
|
| 130 |
+
place by ``_solve_simplex``.
|
| 131 |
+
basis : array
|
| 132 |
+
A list of the current basic variables.
|
| 133 |
+
pivcol : int
|
| 134 |
+
The index of the pivot column.
|
| 135 |
+
phase : int
|
| 136 |
+
The phase of the simplex algorithm (1 or 2).
|
| 137 |
+
tol : float
|
| 138 |
+
Elements in the pivot column smaller than tol will not be considered
|
| 139 |
+
for pivoting. Nominally this value is zero, but numerical issues
|
| 140 |
+
cause a tolerance about zero to be necessary.
|
| 141 |
+
bland : bool
|
| 142 |
+
If True, use Bland's rule for selection of the row (if more than one
|
| 143 |
+
row can be used, choose the one with the lowest variable index).
|
| 144 |
+
|
| 145 |
+
Returns
|
| 146 |
+
-------
|
| 147 |
+
status: bool
|
| 148 |
+
True if a suitable pivot row was found, otherwise False. A return
|
| 149 |
+
of False indicates that the linear programming problem is unbounded.
|
| 150 |
+
row: int
|
| 151 |
+
The index of the row of the pivot element. If status is False, row
|
| 152 |
+
will be returned as nan.
|
| 153 |
+
"""
|
| 154 |
+
if phase == 1:
|
| 155 |
+
k = 2
|
| 156 |
+
else:
|
| 157 |
+
k = 1
|
| 158 |
+
ma = np.ma.masked_where(T[:-k, pivcol] <= tol, T[:-k, pivcol], copy=False)
|
| 159 |
+
if ma.count() == 0:
|
| 160 |
+
return False, np.nan
|
| 161 |
+
mb = np.ma.masked_where(T[:-k, pivcol] <= tol, T[:-k, -1], copy=False)
|
| 162 |
+
q = mb / ma
|
| 163 |
+
min_rows = np.ma.nonzero(q == q.min())[0]
|
| 164 |
+
if bland:
|
| 165 |
+
return True, min_rows[np.argmin(np.take(basis, min_rows))]
|
| 166 |
+
return True, min_rows[0]
|
| 167 |
+
|
| 168 |
+
|
| 169 |
+
def _apply_pivot(T, basis, pivrow, pivcol, tol=1e-9):
|
| 170 |
+
"""
|
| 171 |
+
Pivot the simplex tableau inplace on the element given by (pivrow, pivol).
|
| 172 |
+
The entering variable corresponds to the column given by pivcol forcing
|
| 173 |
+
the variable basis[pivrow] to leave the basis.
|
| 174 |
+
|
| 175 |
+
Parameters
|
| 176 |
+
----------
|
| 177 |
+
T : 2-D array
|
| 178 |
+
A 2-D array representing the simplex tableau, T, corresponding to the
|
| 179 |
+
linear programming problem. It should have the form:
|
| 180 |
+
|
| 181 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 182 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 183 |
+
.
|
| 184 |
+
.
|
| 185 |
+
.
|
| 186 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 187 |
+
[c[0], c[1], ..., c[n_total], 0]]
|
| 188 |
+
|
| 189 |
+
for a Phase 2 problem, or the form:
|
| 190 |
+
|
| 191 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 192 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 193 |
+
.
|
| 194 |
+
.
|
| 195 |
+
.
|
| 196 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 197 |
+
[c[0], c[1], ..., c[n_total], 0],
|
| 198 |
+
[c'[0], c'[1], ..., c'[n_total], 0]]
|
| 199 |
+
|
| 200 |
+
for a Phase 1 problem (a problem in which a basic feasible solution is
|
| 201 |
+
sought prior to maximizing the actual objective. ``T`` is modified in
|
| 202 |
+
place by ``_solve_simplex``.
|
| 203 |
+
basis : 1-D array
|
| 204 |
+
An array of the indices of the basic variables, such that basis[i]
|
| 205 |
+
contains the column corresponding to the basic variable for row i.
|
| 206 |
+
Basis is modified in place by _apply_pivot.
|
| 207 |
+
pivrow : int
|
| 208 |
+
Row index of the pivot.
|
| 209 |
+
pivcol : int
|
| 210 |
+
Column index of the pivot.
|
| 211 |
+
"""
|
| 212 |
+
basis[pivrow] = pivcol
|
| 213 |
+
pivval = T[pivrow, pivcol]
|
| 214 |
+
T[pivrow] = T[pivrow] / pivval
|
| 215 |
+
for irow in range(T.shape[0]):
|
| 216 |
+
if irow != pivrow:
|
| 217 |
+
T[irow] = T[irow] - T[pivrow] * T[irow, pivcol]
|
| 218 |
+
|
| 219 |
+
# The selected pivot should never lead to a pivot value less than the tol.
|
| 220 |
+
if np.isclose(pivval, tol, atol=0, rtol=1e4):
|
| 221 |
+
message = (
|
| 222 |
+
f"The pivot operation produces a pivot value of:{pivval: .1e}, "
|
| 223 |
+
"which is only slightly greater than the specified "
|
| 224 |
+
f"tolerance{tol: .1e}. This may lead to issues regarding the "
|
| 225 |
+
"numerical stability of the simplex method. "
|
| 226 |
+
"Removing redundant constraints, changing the pivot strategy "
|
| 227 |
+
"via Bland's rule or increasing the tolerance may "
|
| 228 |
+
"help reduce the issue.")
|
| 229 |
+
warn(message, OptimizeWarning, stacklevel=5)
|
| 230 |
+
|
| 231 |
+
|
| 232 |
+
def _solve_simplex(T, n, basis, callback, postsolve_args,
|
| 233 |
+
maxiter=1000, tol=1e-9, phase=2, bland=False, nit0=0,
|
| 234 |
+
):
|
| 235 |
+
"""
|
| 236 |
+
Solve a linear programming problem in "standard form" using the Simplex
|
| 237 |
+
Method. Linear Programming is intended to solve the following problem form:
|
| 238 |
+
|
| 239 |
+
Minimize::
|
| 240 |
+
|
| 241 |
+
c @ x
|
| 242 |
+
|
| 243 |
+
Subject to::
|
| 244 |
+
|
| 245 |
+
A @ x == b
|
| 246 |
+
x >= 0
|
| 247 |
+
|
| 248 |
+
Parameters
|
| 249 |
+
----------
|
| 250 |
+
T : 2-D array
|
| 251 |
+
A 2-D array representing the simplex tableau, T, corresponding to the
|
| 252 |
+
linear programming problem. It should have the form:
|
| 253 |
+
|
| 254 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 255 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 256 |
+
.
|
| 257 |
+
.
|
| 258 |
+
.
|
| 259 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 260 |
+
[c[0], c[1], ..., c[n_total], 0]]
|
| 261 |
+
|
| 262 |
+
for a Phase 2 problem, or the form:
|
| 263 |
+
|
| 264 |
+
[[A[0, 0], A[0, 1], ..., A[0, n_total], b[0]],
|
| 265 |
+
[A[1, 0], A[1, 1], ..., A[1, n_total], b[1]],
|
| 266 |
+
.
|
| 267 |
+
.
|
| 268 |
+
.
|
| 269 |
+
[A[m, 0], A[m, 1], ..., A[m, n_total], b[m]],
|
| 270 |
+
[c[0], c[1], ..., c[n_total], 0],
|
| 271 |
+
[c'[0], c'[1], ..., c'[n_total], 0]]
|
| 272 |
+
|
| 273 |
+
for a Phase 1 problem (a problem in which a basic feasible solution is
|
| 274 |
+
sought prior to maximizing the actual objective. ``T`` is modified in
|
| 275 |
+
place by ``_solve_simplex``.
|
| 276 |
+
n : int
|
| 277 |
+
The number of true variables in the problem.
|
| 278 |
+
basis : 1-D array
|
| 279 |
+
An array of the indices of the basic variables, such that basis[i]
|
| 280 |
+
contains the column corresponding to the basic variable for row i.
|
| 281 |
+
Basis is modified in place by _solve_simplex
|
| 282 |
+
callback : callable, optional
|
| 283 |
+
If a callback function is provided, it will be called within each
|
| 284 |
+
iteration of the algorithm. The callback must accept a
|
| 285 |
+
`scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 286 |
+
|
| 287 |
+
x : 1-D array
|
| 288 |
+
Current solution vector
|
| 289 |
+
fun : float
|
| 290 |
+
Current value of the objective function
|
| 291 |
+
success : bool
|
| 292 |
+
True only when a phase has completed successfully. This
|
| 293 |
+
will be False for most iterations.
|
| 294 |
+
slack : 1-D array
|
| 295 |
+
The values of the slack variables. Each slack variable
|
| 296 |
+
corresponds to an inequality constraint. If the slack is zero,
|
| 297 |
+
the corresponding constraint is active.
|
| 298 |
+
con : 1-D array
|
| 299 |
+
The (nominally zero) residuals of the equality constraints,
|
| 300 |
+
that is, ``b - A_eq @ x``
|
| 301 |
+
phase : int
|
| 302 |
+
The phase of the optimization being executed. In phase 1 a basic
|
| 303 |
+
feasible solution is sought and the T has an additional row
|
| 304 |
+
representing an alternate objective function.
|
| 305 |
+
status : int
|
| 306 |
+
An integer representing the exit status of the optimization::
|
| 307 |
+
|
| 308 |
+
0 : Optimization terminated successfully
|
| 309 |
+
1 : Iteration limit reached
|
| 310 |
+
2 : Problem appears to be infeasible
|
| 311 |
+
3 : Problem appears to be unbounded
|
| 312 |
+
4 : Serious numerical difficulties encountered
|
| 313 |
+
|
| 314 |
+
nit : int
|
| 315 |
+
The number of iterations performed.
|
| 316 |
+
message : str
|
| 317 |
+
A string descriptor of the exit status of the optimization.
|
| 318 |
+
postsolve_args : tuple
|
| 319 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 320 |
+
problem into the solution to the original problem.
|
| 321 |
+
maxiter : int
|
| 322 |
+
The maximum number of iterations to perform before aborting the
|
| 323 |
+
optimization.
|
| 324 |
+
tol : float
|
| 325 |
+
The tolerance which determines when a solution is "close enough" to
|
| 326 |
+
zero in Phase 1 to be considered a basic feasible solution or close
|
| 327 |
+
enough to positive to serve as an optimal solution.
|
| 328 |
+
phase : int
|
| 329 |
+
The phase of the optimization being executed. In phase 1 a basic
|
| 330 |
+
feasible solution is sought and the T has an additional row
|
| 331 |
+
representing an alternate objective function.
|
| 332 |
+
bland : bool
|
| 333 |
+
If True, choose pivots using Bland's rule [3]_. In problems which
|
| 334 |
+
fail to converge due to cycling, using Bland's rule can provide
|
| 335 |
+
convergence at the expense of a less optimal path about the simplex.
|
| 336 |
+
nit0 : int
|
| 337 |
+
The initial iteration number used to keep an accurate iteration total
|
| 338 |
+
in a two-phase problem.
|
| 339 |
+
|
| 340 |
+
Returns
|
| 341 |
+
-------
|
| 342 |
+
nit : int
|
| 343 |
+
The number of iterations. Used to keep an accurate iteration total
|
| 344 |
+
in the two-phase problem.
|
| 345 |
+
status : int
|
| 346 |
+
An integer representing the exit status of the optimization::
|
| 347 |
+
|
| 348 |
+
0 : Optimization terminated successfully
|
| 349 |
+
1 : Iteration limit reached
|
| 350 |
+
2 : Problem appears to be infeasible
|
| 351 |
+
3 : Problem appears to be unbounded
|
| 352 |
+
4 : Serious numerical difficulties encountered
|
| 353 |
+
|
| 354 |
+
"""
|
| 355 |
+
nit = nit0
|
| 356 |
+
status = 0
|
| 357 |
+
message = ''
|
| 358 |
+
complete = False
|
| 359 |
+
|
| 360 |
+
if phase == 1:
|
| 361 |
+
m = T.shape[1]-2
|
| 362 |
+
elif phase == 2:
|
| 363 |
+
m = T.shape[1]-1
|
| 364 |
+
else:
|
| 365 |
+
raise ValueError("Argument 'phase' to _solve_simplex must be 1 or 2")
|
| 366 |
+
|
| 367 |
+
if phase == 2:
|
| 368 |
+
# Check if any artificial variables are still in the basis.
|
| 369 |
+
# If yes, check if any coefficients from this row and a column
|
| 370 |
+
# corresponding to one of the non-artificial variable is non-zero.
|
| 371 |
+
# If found, pivot at this term. If not, start phase 2.
|
| 372 |
+
# Do this for all artificial variables in the basis.
|
| 373 |
+
# Ref: "An Introduction to Linear Programming and Game Theory"
|
| 374 |
+
# by Paul R. Thie, Gerard E. Keough, 3rd Ed,
|
| 375 |
+
# Chapter 3.7 Redundant Systems (pag 102)
|
| 376 |
+
for pivrow in [row for row in range(basis.size)
|
| 377 |
+
if basis[row] > T.shape[1] - 2]:
|
| 378 |
+
non_zero_row = [col for col in range(T.shape[1] - 1)
|
| 379 |
+
if abs(T[pivrow, col]) > tol]
|
| 380 |
+
if len(non_zero_row) > 0:
|
| 381 |
+
pivcol = non_zero_row[0]
|
| 382 |
+
_apply_pivot(T, basis, pivrow, pivcol, tol)
|
| 383 |
+
nit += 1
|
| 384 |
+
|
| 385 |
+
if len(basis[:m]) == 0:
|
| 386 |
+
solution = np.empty(T.shape[1] - 1, dtype=np.float64)
|
| 387 |
+
else:
|
| 388 |
+
solution = np.empty(max(T.shape[1] - 1, max(basis[:m]) + 1),
|
| 389 |
+
dtype=np.float64)
|
| 390 |
+
|
| 391 |
+
while not complete:
|
| 392 |
+
# Find the pivot column
|
| 393 |
+
pivcol_found, pivcol = _pivot_col(T, tol, bland)
|
| 394 |
+
if not pivcol_found:
|
| 395 |
+
pivcol = np.nan
|
| 396 |
+
pivrow = np.nan
|
| 397 |
+
status = 0
|
| 398 |
+
complete = True
|
| 399 |
+
else:
|
| 400 |
+
# Find the pivot row
|
| 401 |
+
pivrow_found, pivrow = _pivot_row(T, basis, pivcol, phase, tol, bland)
|
| 402 |
+
if not pivrow_found:
|
| 403 |
+
status = 3
|
| 404 |
+
complete = True
|
| 405 |
+
|
| 406 |
+
if callback is not None:
|
| 407 |
+
solution[:] = 0
|
| 408 |
+
solution[basis[:n]] = T[:n, -1]
|
| 409 |
+
x = solution[:m]
|
| 410 |
+
x, fun, slack, con = _postsolve(
|
| 411 |
+
x, postsolve_args
|
| 412 |
+
)
|
| 413 |
+
res = OptimizeResult({
|
| 414 |
+
'x': x,
|
| 415 |
+
'fun': fun,
|
| 416 |
+
'slack': slack,
|
| 417 |
+
'con': con,
|
| 418 |
+
'status': status,
|
| 419 |
+
'message': message,
|
| 420 |
+
'nit': nit,
|
| 421 |
+
'success': status == 0 and complete,
|
| 422 |
+
'phase': phase,
|
| 423 |
+
'complete': complete,
|
| 424 |
+
})
|
| 425 |
+
callback(res)
|
| 426 |
+
|
| 427 |
+
if not complete:
|
| 428 |
+
if nit >= maxiter:
|
| 429 |
+
# Iteration limit exceeded
|
| 430 |
+
status = 1
|
| 431 |
+
complete = True
|
| 432 |
+
else:
|
| 433 |
+
_apply_pivot(T, basis, pivrow, pivcol, tol)
|
| 434 |
+
nit += 1
|
| 435 |
+
return nit, status
|
| 436 |
+
|
| 437 |
+
|
| 438 |
+
def _linprog_simplex(c, c0, A, b, callback, postsolve_args,
|
| 439 |
+
maxiter=1000, tol=1e-9, disp=False, bland=False,
|
| 440 |
+
**unknown_options):
|
| 441 |
+
"""
|
| 442 |
+
Minimize a linear objective function subject to linear equality and
|
| 443 |
+
non-negativity constraints using the two phase simplex method.
|
| 444 |
+
Linear programming is intended to solve problems of the following form:
|
| 445 |
+
|
| 446 |
+
Minimize::
|
| 447 |
+
|
| 448 |
+
c @ x
|
| 449 |
+
|
| 450 |
+
Subject to::
|
| 451 |
+
|
| 452 |
+
A @ x == b
|
| 453 |
+
x >= 0
|
| 454 |
+
|
| 455 |
+
User-facing documentation is in _linprog_doc.py.
|
| 456 |
+
|
| 457 |
+
Parameters
|
| 458 |
+
----------
|
| 459 |
+
c : 1-D array
|
| 460 |
+
Coefficients of the linear objective function to be minimized.
|
| 461 |
+
c0 : float
|
| 462 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 463 |
+
variables. (Purely for display.)
|
| 464 |
+
A : 2-D array
|
| 465 |
+
2-D array such that ``A @ x``, gives the values of the equality
|
| 466 |
+
constraints at ``x``.
|
| 467 |
+
b : 1-D array
|
| 468 |
+
1-D array of values representing the right hand side of each equality
|
| 469 |
+
constraint (row) in ``A``.
|
| 470 |
+
callback : callable, optional
|
| 471 |
+
If a callback function is provided, it will be called within each
|
| 472 |
+
iteration of the algorithm. The callback function must accept a single
|
| 473 |
+
`scipy.optimize.OptimizeResult` consisting of the following fields:
|
| 474 |
+
|
| 475 |
+
x : 1-D array
|
| 476 |
+
Current solution vector
|
| 477 |
+
fun : float
|
| 478 |
+
Current value of the objective function
|
| 479 |
+
success : bool
|
| 480 |
+
True when an algorithm has completed successfully.
|
| 481 |
+
slack : 1-D array
|
| 482 |
+
The values of the slack variables. Each slack variable
|
| 483 |
+
corresponds to an inequality constraint. If the slack is zero,
|
| 484 |
+
the corresponding constraint is active.
|
| 485 |
+
con : 1-D array
|
| 486 |
+
The (nominally zero) residuals of the equality constraints,
|
| 487 |
+
that is, ``b - A_eq @ x``
|
| 488 |
+
phase : int
|
| 489 |
+
The phase of the algorithm being executed.
|
| 490 |
+
status : int
|
| 491 |
+
An integer representing the status of the optimization::
|
| 492 |
+
|
| 493 |
+
0 : Algorithm proceeding nominally
|
| 494 |
+
1 : Iteration limit reached
|
| 495 |
+
2 : Problem appears to be infeasible
|
| 496 |
+
3 : Problem appears to be unbounded
|
| 497 |
+
4 : Serious numerical difficulties encountered
|
| 498 |
+
nit : int
|
| 499 |
+
The number of iterations performed.
|
| 500 |
+
message : str
|
| 501 |
+
A string descriptor of the exit status of the optimization.
|
| 502 |
+
postsolve_args : tuple
|
| 503 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 504 |
+
problem into the solution to the original problem.
|
| 505 |
+
|
| 506 |
+
Options
|
| 507 |
+
-------
|
| 508 |
+
maxiter : int
|
| 509 |
+
The maximum number of iterations to perform.
|
| 510 |
+
disp : bool
|
| 511 |
+
If True, print exit status message to sys.stdout
|
| 512 |
+
tol : float
|
| 513 |
+
The tolerance which determines when a solution is "close enough" to
|
| 514 |
+
zero in Phase 1 to be considered a basic feasible solution or close
|
| 515 |
+
enough to positive to serve as an optimal solution.
|
| 516 |
+
bland : bool
|
| 517 |
+
If True, use Bland's anti-cycling rule [3]_ to choose pivots to
|
| 518 |
+
prevent cycling. If False, choose pivots which should lead to a
|
| 519 |
+
converged solution more quickly. The latter method is subject to
|
| 520 |
+
cycling (non-convergence) in rare instances.
|
| 521 |
+
unknown_options : dict
|
| 522 |
+
Optional arguments not used by this particular solver. If
|
| 523 |
+
`unknown_options` is non-empty a warning is issued listing all
|
| 524 |
+
unused options.
|
| 525 |
+
|
| 526 |
+
Returns
|
| 527 |
+
-------
|
| 528 |
+
x : 1-D array
|
| 529 |
+
Solution vector.
|
| 530 |
+
status : int
|
| 531 |
+
An integer representing the exit status of the optimization::
|
| 532 |
+
|
| 533 |
+
0 : Optimization terminated successfully
|
| 534 |
+
1 : Iteration limit reached
|
| 535 |
+
2 : Problem appears to be infeasible
|
| 536 |
+
3 : Problem appears to be unbounded
|
| 537 |
+
4 : Serious numerical difficulties encountered
|
| 538 |
+
|
| 539 |
+
message : str
|
| 540 |
+
A string descriptor of the exit status of the optimization.
|
| 541 |
+
iteration : int
|
| 542 |
+
The number of iterations taken to solve the problem.
|
| 543 |
+
|
| 544 |
+
References
|
| 545 |
+
----------
|
| 546 |
+
.. [1] Dantzig, George B., Linear programming and extensions. Rand
|
| 547 |
+
Corporation Research Study Princeton Univ. Press, Princeton, NJ,
|
| 548 |
+
1963
|
| 549 |
+
.. [2] Hillier, S.H. and Lieberman, G.J. (1995), "Introduction to
|
| 550 |
+
Mathematical Programming", McGraw-Hill, Chapter 4.
|
| 551 |
+
.. [3] Bland, Robert G. New finite pivoting rules for the simplex method.
|
| 552 |
+
Mathematics of Operations Research (2), 1977: pp. 103-107.
|
| 553 |
+
|
| 554 |
+
|
| 555 |
+
Notes
|
| 556 |
+
-----
|
| 557 |
+
The expected problem formulation differs between the top level ``linprog``
|
| 558 |
+
module and the method specific solvers. The method specific solvers expect a
|
| 559 |
+
problem in standard form:
|
| 560 |
+
|
| 561 |
+
Minimize::
|
| 562 |
+
|
| 563 |
+
c @ x
|
| 564 |
+
|
| 565 |
+
Subject to::
|
| 566 |
+
|
| 567 |
+
A @ x == b
|
| 568 |
+
x >= 0
|
| 569 |
+
|
| 570 |
+
Whereas the top level ``linprog`` module expects a problem of form:
|
| 571 |
+
|
| 572 |
+
Minimize::
|
| 573 |
+
|
| 574 |
+
c @ x
|
| 575 |
+
|
| 576 |
+
Subject to::
|
| 577 |
+
|
| 578 |
+
A_ub @ x <= b_ub
|
| 579 |
+
A_eq @ x == b_eq
|
| 580 |
+
lb <= x <= ub
|
| 581 |
+
|
| 582 |
+
where ``lb = 0`` and ``ub = None`` unless set in ``bounds``.
|
| 583 |
+
|
| 584 |
+
The original problem contains equality, upper-bound and variable constraints
|
| 585 |
+
whereas the method specific solver requires equality constraints and
|
| 586 |
+
variable non-negativity.
|
| 587 |
+
|
| 588 |
+
``linprog`` module converts the original problem to standard form by
|
| 589 |
+
converting the simple bounds to upper bound constraints, introducing
|
| 590 |
+
non-negative slack variables for inequality constraints, and expressing
|
| 591 |
+
unbounded variables as the difference between two non-negative variables.
|
| 592 |
+
"""
|
| 593 |
+
_check_unknown_options(unknown_options)
|
| 594 |
+
|
| 595 |
+
status = 0
|
| 596 |
+
messages = {0: "Optimization terminated successfully.",
|
| 597 |
+
1: "Iteration limit reached.",
|
| 598 |
+
2: "Optimization failed. Unable to find a feasible"
|
| 599 |
+
" starting point.",
|
| 600 |
+
3: "Optimization failed. The problem appears to be unbounded.",
|
| 601 |
+
4: "Optimization failed. Singular matrix encountered."}
|
| 602 |
+
|
| 603 |
+
n, m = A.shape
|
| 604 |
+
|
| 605 |
+
# All constraints must have b >= 0.
|
| 606 |
+
is_negative_constraint = np.less(b, 0)
|
| 607 |
+
A[is_negative_constraint] *= -1
|
| 608 |
+
b[is_negative_constraint] *= -1
|
| 609 |
+
|
| 610 |
+
# As all constraints are equality constraints the artificial variables
|
| 611 |
+
# will also be basic variables.
|
| 612 |
+
av = np.arange(n) + m
|
| 613 |
+
basis = av.copy()
|
| 614 |
+
|
| 615 |
+
# Format the phase one tableau by adding artificial variables and stacking
|
| 616 |
+
# the constraints, the objective row and pseudo-objective row.
|
| 617 |
+
row_constraints = np.hstack((A, np.eye(n), b[:, np.newaxis]))
|
| 618 |
+
row_objective = np.hstack((c, np.zeros(n), c0))
|
| 619 |
+
row_pseudo_objective = -row_constraints.sum(axis=0)
|
| 620 |
+
row_pseudo_objective[av] = 0
|
| 621 |
+
T = np.vstack((row_constraints, row_objective, row_pseudo_objective))
|
| 622 |
+
|
| 623 |
+
nit1, status = _solve_simplex(T, n, basis, callback=callback,
|
| 624 |
+
postsolve_args=postsolve_args,
|
| 625 |
+
maxiter=maxiter, tol=tol, phase=1,
|
| 626 |
+
bland=bland
|
| 627 |
+
)
|
| 628 |
+
# if pseudo objective is zero, remove the last row from the tableau and
|
| 629 |
+
# proceed to phase 2
|
| 630 |
+
nit2 = nit1
|
| 631 |
+
if abs(T[-1, -1]) < tol:
|
| 632 |
+
# Remove the pseudo-objective row from the tableau
|
| 633 |
+
T = T[:-1, :]
|
| 634 |
+
# Remove the artificial variable columns from the tableau
|
| 635 |
+
T = np.delete(T, av, 1)
|
| 636 |
+
else:
|
| 637 |
+
# Failure to find a feasible starting point
|
| 638 |
+
status = 2
|
| 639 |
+
messages[status] = (
|
| 640 |
+
"Phase 1 of the simplex method failed to find a feasible "
|
| 641 |
+
"solution. The pseudo-objective function evaluates to {0:.1e} "
|
| 642 |
+
"which exceeds the required tolerance of {1} for a solution to be "
|
| 643 |
+
"considered 'close enough' to zero to be a basic solution. "
|
| 644 |
+
"Consider increasing the tolerance to be greater than {0:.1e}. "
|
| 645 |
+
"If this tolerance is unacceptably large the problem may be "
|
| 646 |
+
"infeasible.".format(abs(T[-1, -1]), tol)
|
| 647 |
+
)
|
| 648 |
+
|
| 649 |
+
if status == 0:
|
| 650 |
+
# Phase 2
|
| 651 |
+
nit2, status = _solve_simplex(T, n, basis, callback=callback,
|
| 652 |
+
postsolve_args=postsolve_args,
|
| 653 |
+
maxiter=maxiter, tol=tol, phase=2,
|
| 654 |
+
bland=bland, nit0=nit1
|
| 655 |
+
)
|
| 656 |
+
|
| 657 |
+
solution = np.zeros(n + m)
|
| 658 |
+
solution[basis[:n]] = T[:n, -1]
|
| 659 |
+
x = solution[:m]
|
| 660 |
+
|
| 661 |
+
return x, status, messages[status], int(nit2)
|
vila/lib/python3.10/site-packages/scipy/optimize/_linprog_util.py
ADDED
|
@@ -0,0 +1,1522 @@
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|
| 1 |
+
"""
|
| 2 |
+
Method agnostic utility functions for linear programming
|
| 3 |
+
"""
|
| 4 |
+
|
| 5 |
+
import numpy as np
|
| 6 |
+
import scipy.sparse as sps
|
| 7 |
+
from warnings import warn
|
| 8 |
+
from ._optimize import OptimizeWarning
|
| 9 |
+
from scipy.optimize._remove_redundancy import (
|
| 10 |
+
_remove_redundancy_svd, _remove_redundancy_pivot_sparse,
|
| 11 |
+
_remove_redundancy_pivot_dense, _remove_redundancy_id
|
| 12 |
+
)
|
| 13 |
+
from collections import namedtuple
|
| 14 |
+
|
| 15 |
+
_LPProblem = namedtuple('_LPProblem',
|
| 16 |
+
'c A_ub b_ub A_eq b_eq bounds x0 integrality')
|
| 17 |
+
_LPProblem.__new__.__defaults__ = (None,) * 7 # make c the only required arg
|
| 18 |
+
_LPProblem.__doc__ = \
|
| 19 |
+
""" Represents a linear-programming problem.
|
| 20 |
+
|
| 21 |
+
Attributes
|
| 22 |
+
----------
|
| 23 |
+
c : 1D array
|
| 24 |
+
The coefficients of the linear objective function to be minimized.
|
| 25 |
+
A_ub : 2D array, optional
|
| 26 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 27 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 28 |
+
b_ub : 1D array, optional
|
| 29 |
+
The inequality constraint vector. Each element represents an
|
| 30 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 31 |
+
A_eq : 2D array, optional
|
| 32 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 33 |
+
coefficients of a linear equality constraint on ``x``.
|
| 34 |
+
b_eq : 1D array, optional
|
| 35 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 36 |
+
the corresponding element of ``b_eq``.
|
| 37 |
+
bounds : various valid formats, optional
|
| 38 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs.
|
| 39 |
+
If bounds are specified for all N variables separately, valid formats
|
| 40 |
+
are:
|
| 41 |
+
* a 2D array (N x 2);
|
| 42 |
+
* a sequence of N sequences, each with 2 values.
|
| 43 |
+
If all variables have the same bounds, the bounds can be specified as
|
| 44 |
+
a 1-D or 2-D array or sequence with 2 scalar values.
|
| 45 |
+
If all variables have a lower bound of 0 and no upper bound, the bounds
|
| 46 |
+
parameter can be omitted (or given as None).
|
| 47 |
+
Absent lower and/or upper bounds can be specified as -numpy.inf (no
|
| 48 |
+
lower bound), numpy.inf (no upper bound) or None (both).
|
| 49 |
+
x0 : 1D array, optional
|
| 50 |
+
Guess values of the decision variables, which will be refined by
|
| 51 |
+
the optimization algorithm. This argument is currently used only by the
|
| 52 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 53 |
+
basic feasible solution.
|
| 54 |
+
integrality : 1-D array or int, optional
|
| 55 |
+
Indicates the type of integrality constraint on each decision variable.
|
| 56 |
+
|
| 57 |
+
``0`` : Continuous variable; no integrality constraint.
|
| 58 |
+
|
| 59 |
+
``1`` : Integer variable; decision variable must be an integer
|
| 60 |
+
within `bounds`.
|
| 61 |
+
|
| 62 |
+
``2`` : Semi-continuous variable; decision variable must be within
|
| 63 |
+
`bounds` or take value ``0``.
|
| 64 |
+
|
| 65 |
+
``3`` : Semi-integer variable; decision variable must be an integer
|
| 66 |
+
within `bounds` or take value ``0``.
|
| 67 |
+
|
| 68 |
+
By default, all variables are continuous.
|
| 69 |
+
|
| 70 |
+
For mixed integrality constraints, supply an array of shape `c.shape`.
|
| 71 |
+
To infer a constraint on each decision variable from shorter inputs,
|
| 72 |
+
the argument will be broadcasted to `c.shape` using `np.broadcast_to`.
|
| 73 |
+
|
| 74 |
+
This argument is currently used only by the ``'highs'`` method and
|
| 75 |
+
ignored otherwise.
|
| 76 |
+
|
| 77 |
+
Notes
|
| 78 |
+
-----
|
| 79 |
+
This namedtuple supports 2 ways of initialization:
|
| 80 |
+
>>> lp1 = _LPProblem(c=[-1, 4], A_ub=[[-3, 1], [1, 2]], b_ub=[6, 4])
|
| 81 |
+
>>> lp2 = _LPProblem([-1, 4], [[-3, 1], [1, 2]], [6, 4])
|
| 82 |
+
|
| 83 |
+
Note that only ``c`` is a required argument here, whereas all other arguments
|
| 84 |
+
``A_ub``, ``b_ub``, ``A_eq``, ``b_eq``, ``bounds``, ``x0`` are optional with
|
| 85 |
+
default values of None.
|
| 86 |
+
For example, ``A_eq`` and ``b_eq`` can be set without ``A_ub`` or ``b_ub``:
|
| 87 |
+
>>> lp3 = _LPProblem(c=[-1, 4], A_eq=[[2, 1]], b_eq=[10])
|
| 88 |
+
"""
|
| 89 |
+
|
| 90 |
+
|
| 91 |
+
def _check_sparse_inputs(options, meth, A_ub, A_eq):
|
| 92 |
+
"""
|
| 93 |
+
Check the provided ``A_ub`` and ``A_eq`` matrices conform to the specified
|
| 94 |
+
optional sparsity variables.
|
| 95 |
+
|
| 96 |
+
Parameters
|
| 97 |
+
----------
|
| 98 |
+
A_ub : 2-D array, optional
|
| 99 |
+
2-D array such that ``A_ub @ x`` gives the values of the upper-bound
|
| 100 |
+
inequality constraints at ``x``.
|
| 101 |
+
A_eq : 2-D array, optional
|
| 102 |
+
2-D array such that ``A_eq @ x`` gives the values of the equality
|
| 103 |
+
constraints at ``x``.
|
| 104 |
+
options : dict
|
| 105 |
+
A dictionary of solver options. All methods accept the following
|
| 106 |
+
generic options:
|
| 107 |
+
|
| 108 |
+
maxiter : int
|
| 109 |
+
Maximum number of iterations to perform.
|
| 110 |
+
disp : bool
|
| 111 |
+
Set to True to print convergence messages.
|
| 112 |
+
|
| 113 |
+
For method-specific options, see :func:`show_options('linprog')`.
|
| 114 |
+
method : str, optional
|
| 115 |
+
The algorithm used to solve the standard form problem.
|
| 116 |
+
|
| 117 |
+
Returns
|
| 118 |
+
-------
|
| 119 |
+
A_ub : 2-D array, optional
|
| 120 |
+
2-D array such that ``A_ub @ x`` gives the values of the upper-bound
|
| 121 |
+
inequality constraints at ``x``.
|
| 122 |
+
A_eq : 2-D array, optional
|
| 123 |
+
2-D array such that ``A_eq @ x`` gives the values of the equality
|
| 124 |
+
constraints at ``x``.
|
| 125 |
+
options : dict
|
| 126 |
+
A dictionary of solver options. All methods accept the following
|
| 127 |
+
generic options:
|
| 128 |
+
|
| 129 |
+
maxiter : int
|
| 130 |
+
Maximum number of iterations to perform.
|
| 131 |
+
disp : bool
|
| 132 |
+
Set to True to print convergence messages.
|
| 133 |
+
|
| 134 |
+
For method-specific options, see :func:`show_options('linprog')`.
|
| 135 |
+
"""
|
| 136 |
+
# This is an undocumented option for unit testing sparse presolve
|
| 137 |
+
_sparse_presolve = options.pop('_sparse_presolve', False)
|
| 138 |
+
if _sparse_presolve and A_eq is not None:
|
| 139 |
+
A_eq = sps.coo_matrix(A_eq)
|
| 140 |
+
if _sparse_presolve and A_ub is not None:
|
| 141 |
+
A_ub = sps.coo_matrix(A_ub)
|
| 142 |
+
|
| 143 |
+
sparse_constraint = sps.issparse(A_eq) or sps.issparse(A_ub)
|
| 144 |
+
|
| 145 |
+
preferred_methods = {"highs", "highs-ds", "highs-ipm"}
|
| 146 |
+
dense_methods = {"simplex", "revised simplex"}
|
| 147 |
+
if meth in dense_methods and sparse_constraint:
|
| 148 |
+
raise ValueError(f"Method '{meth}' does not support sparse "
|
| 149 |
+
"constraint matrices. Please consider using one of "
|
| 150 |
+
f"{preferred_methods}.")
|
| 151 |
+
|
| 152 |
+
sparse = options.get('sparse', False)
|
| 153 |
+
if not sparse and sparse_constraint and meth == 'interior-point':
|
| 154 |
+
options['sparse'] = True
|
| 155 |
+
warn("Sparse constraint matrix detected; setting 'sparse':True.",
|
| 156 |
+
OptimizeWarning, stacklevel=4)
|
| 157 |
+
return options, A_ub, A_eq
|
| 158 |
+
|
| 159 |
+
|
| 160 |
+
def _format_A_constraints(A, n_x, sparse_lhs=False):
|
| 161 |
+
"""Format the left hand side of the constraints to a 2-D array
|
| 162 |
+
|
| 163 |
+
Parameters
|
| 164 |
+
----------
|
| 165 |
+
A : 2-D array
|
| 166 |
+
2-D array such that ``A @ x`` gives the values of the upper-bound
|
| 167 |
+
(in)equality constraints at ``x``.
|
| 168 |
+
n_x : int
|
| 169 |
+
The number of variables in the linear programming problem.
|
| 170 |
+
sparse_lhs : bool
|
| 171 |
+
Whether either of `A_ub` or `A_eq` are sparse. If true return a
|
| 172 |
+
coo_matrix instead of a numpy array.
|
| 173 |
+
|
| 174 |
+
Returns
|
| 175 |
+
-------
|
| 176 |
+
np.ndarray or sparse.coo_matrix
|
| 177 |
+
2-D array such that ``A @ x`` gives the values of the upper-bound
|
| 178 |
+
(in)equality constraints at ``x``.
|
| 179 |
+
|
| 180 |
+
"""
|
| 181 |
+
if sparse_lhs:
|
| 182 |
+
return sps.coo_matrix(
|
| 183 |
+
(0, n_x) if A is None else A, dtype=float, copy=True
|
| 184 |
+
)
|
| 185 |
+
elif A is None:
|
| 186 |
+
return np.zeros((0, n_x), dtype=float)
|
| 187 |
+
else:
|
| 188 |
+
return np.array(A, dtype=float, copy=True)
|
| 189 |
+
|
| 190 |
+
|
| 191 |
+
def _format_b_constraints(b):
|
| 192 |
+
"""Format the upper bounds of the constraints to a 1-D array
|
| 193 |
+
|
| 194 |
+
Parameters
|
| 195 |
+
----------
|
| 196 |
+
b : 1-D array
|
| 197 |
+
1-D array of values representing the upper-bound of each (in)equality
|
| 198 |
+
constraint (row) in ``A``.
|
| 199 |
+
|
| 200 |
+
Returns
|
| 201 |
+
-------
|
| 202 |
+
1-D np.array
|
| 203 |
+
1-D array of values representing the upper-bound of each (in)equality
|
| 204 |
+
constraint (row) in ``A``.
|
| 205 |
+
|
| 206 |
+
"""
|
| 207 |
+
if b is None:
|
| 208 |
+
return np.array([], dtype=float)
|
| 209 |
+
b = np.array(b, dtype=float, copy=True).squeeze()
|
| 210 |
+
return b if b.size != 1 else b.reshape(-1)
|
| 211 |
+
|
| 212 |
+
|
| 213 |
+
def _clean_inputs(lp):
|
| 214 |
+
"""
|
| 215 |
+
Given user inputs for a linear programming problem, return the
|
| 216 |
+
objective vector, upper bound constraints, equality constraints,
|
| 217 |
+
and simple bounds in a preferred format.
|
| 218 |
+
|
| 219 |
+
Parameters
|
| 220 |
+
----------
|
| 221 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 222 |
+
|
| 223 |
+
c : 1D array
|
| 224 |
+
The coefficients of the linear objective function to be minimized.
|
| 225 |
+
A_ub : 2D array, optional
|
| 226 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 227 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 228 |
+
b_ub : 1D array, optional
|
| 229 |
+
The inequality constraint vector. Each element represents an
|
| 230 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 231 |
+
A_eq : 2D array, optional
|
| 232 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 233 |
+
coefficients of a linear equality constraint on ``x``.
|
| 234 |
+
b_eq : 1D array, optional
|
| 235 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 236 |
+
the corresponding element of ``b_eq``.
|
| 237 |
+
bounds : various valid formats, optional
|
| 238 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs.
|
| 239 |
+
If bounds are specified for all N variables separately, valid formats are:
|
| 240 |
+
* a 2D array (2 x N or N x 2);
|
| 241 |
+
* a sequence of N sequences, each with 2 values.
|
| 242 |
+
If all variables have the same bounds, a single pair of values can
|
| 243 |
+
be specified. Valid formats are:
|
| 244 |
+
* a sequence with 2 scalar values;
|
| 245 |
+
* a sequence with a single element containing 2 scalar values.
|
| 246 |
+
If all variables have a lower bound of 0 and no upper bound, the bounds
|
| 247 |
+
parameter can be omitted (or given as None).
|
| 248 |
+
x0 : 1D array, optional
|
| 249 |
+
Guess values of the decision variables, which will be refined by
|
| 250 |
+
the optimization algorithm. This argument is currently used only by the
|
| 251 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 252 |
+
basic feasible solution.
|
| 253 |
+
|
| 254 |
+
Returns
|
| 255 |
+
-------
|
| 256 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 257 |
+
|
| 258 |
+
c : 1D array
|
| 259 |
+
The coefficients of the linear objective function to be minimized.
|
| 260 |
+
A_ub : 2D array, optional
|
| 261 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 262 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 263 |
+
b_ub : 1D array, optional
|
| 264 |
+
The inequality constraint vector. Each element represents an
|
| 265 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 266 |
+
A_eq : 2D array, optional
|
| 267 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 268 |
+
coefficients of a linear equality constraint on ``x``.
|
| 269 |
+
b_eq : 1D array, optional
|
| 270 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 271 |
+
the corresponding element of ``b_eq``.
|
| 272 |
+
bounds : 2D array
|
| 273 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs, one for each of the N
|
| 274 |
+
elements of ``x``. The N x 2 array contains lower bounds in the first
|
| 275 |
+
column and upper bounds in the 2nd. Unbounded variables have lower
|
| 276 |
+
bound -np.inf and/or upper bound np.inf.
|
| 277 |
+
x0 : 1D array, optional
|
| 278 |
+
Guess values of the decision variables, which will be refined by
|
| 279 |
+
the optimization algorithm. This argument is currently used only by the
|
| 280 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 281 |
+
basic feasible solution.
|
| 282 |
+
|
| 283 |
+
"""
|
| 284 |
+
c, A_ub, b_ub, A_eq, b_eq, bounds, x0, integrality = lp
|
| 285 |
+
|
| 286 |
+
if c is None:
|
| 287 |
+
raise TypeError
|
| 288 |
+
|
| 289 |
+
try:
|
| 290 |
+
c = np.array(c, dtype=np.float64, copy=True).squeeze()
|
| 291 |
+
except ValueError as e:
|
| 292 |
+
raise TypeError(
|
| 293 |
+
"Invalid input for linprog: c must be a 1-D array of numerical "
|
| 294 |
+
"coefficients") from e
|
| 295 |
+
else:
|
| 296 |
+
# If c is a single value, convert it to a 1-D array.
|
| 297 |
+
if c.size == 1:
|
| 298 |
+
c = c.reshape(-1)
|
| 299 |
+
|
| 300 |
+
n_x = len(c)
|
| 301 |
+
if n_x == 0 or len(c.shape) != 1:
|
| 302 |
+
raise ValueError(
|
| 303 |
+
"Invalid input for linprog: c must be a 1-D array and must "
|
| 304 |
+
"not have more than one non-singleton dimension")
|
| 305 |
+
if not np.isfinite(c).all():
|
| 306 |
+
raise ValueError(
|
| 307 |
+
"Invalid input for linprog: c must not contain values "
|
| 308 |
+
"inf, nan, or None")
|
| 309 |
+
|
| 310 |
+
sparse_lhs = sps.issparse(A_eq) or sps.issparse(A_ub)
|
| 311 |
+
try:
|
| 312 |
+
A_ub = _format_A_constraints(A_ub, n_x, sparse_lhs=sparse_lhs)
|
| 313 |
+
except ValueError as e:
|
| 314 |
+
raise TypeError(
|
| 315 |
+
"Invalid input for linprog: A_ub must be a 2-D array "
|
| 316 |
+
"of numerical values") from e
|
| 317 |
+
else:
|
| 318 |
+
n_ub = A_ub.shape[0]
|
| 319 |
+
if len(A_ub.shape) != 2 or A_ub.shape[1] != n_x:
|
| 320 |
+
raise ValueError(
|
| 321 |
+
"Invalid input for linprog: A_ub must have exactly two "
|
| 322 |
+
"dimensions, and the number of columns in A_ub must be "
|
| 323 |
+
"equal to the size of c")
|
| 324 |
+
if (sps.issparse(A_ub) and not np.isfinite(A_ub.data).all()
|
| 325 |
+
or not sps.issparse(A_ub) and not np.isfinite(A_ub).all()):
|
| 326 |
+
raise ValueError(
|
| 327 |
+
"Invalid input for linprog: A_ub must not contain values "
|
| 328 |
+
"inf, nan, or None")
|
| 329 |
+
|
| 330 |
+
try:
|
| 331 |
+
b_ub = _format_b_constraints(b_ub)
|
| 332 |
+
except ValueError as e:
|
| 333 |
+
raise TypeError(
|
| 334 |
+
"Invalid input for linprog: b_ub must be a 1-D array of "
|
| 335 |
+
"numerical values, each representing the upper bound of an "
|
| 336 |
+
"inequality constraint (row) in A_ub") from e
|
| 337 |
+
else:
|
| 338 |
+
if b_ub.shape != (n_ub,):
|
| 339 |
+
raise ValueError(
|
| 340 |
+
"Invalid input for linprog: b_ub must be a 1-D array; b_ub "
|
| 341 |
+
"must not have more than one non-singleton dimension and "
|
| 342 |
+
"the number of rows in A_ub must equal the number of values "
|
| 343 |
+
"in b_ub")
|
| 344 |
+
if not np.isfinite(b_ub).all():
|
| 345 |
+
raise ValueError(
|
| 346 |
+
"Invalid input for linprog: b_ub must not contain values "
|
| 347 |
+
"inf, nan, or None")
|
| 348 |
+
|
| 349 |
+
try:
|
| 350 |
+
A_eq = _format_A_constraints(A_eq, n_x, sparse_lhs=sparse_lhs)
|
| 351 |
+
except ValueError as e:
|
| 352 |
+
raise TypeError(
|
| 353 |
+
"Invalid input for linprog: A_eq must be a 2-D array "
|
| 354 |
+
"of numerical values") from e
|
| 355 |
+
else:
|
| 356 |
+
n_eq = A_eq.shape[0]
|
| 357 |
+
if len(A_eq.shape) != 2 or A_eq.shape[1] != n_x:
|
| 358 |
+
raise ValueError(
|
| 359 |
+
"Invalid input for linprog: A_eq must have exactly two "
|
| 360 |
+
"dimensions, and the number of columns in A_eq must be "
|
| 361 |
+
"equal to the size of c")
|
| 362 |
+
|
| 363 |
+
if (sps.issparse(A_eq) and not np.isfinite(A_eq.data).all()
|
| 364 |
+
or not sps.issparse(A_eq) and not np.isfinite(A_eq).all()):
|
| 365 |
+
raise ValueError(
|
| 366 |
+
"Invalid input for linprog: A_eq must not contain values "
|
| 367 |
+
"inf, nan, or None")
|
| 368 |
+
|
| 369 |
+
try:
|
| 370 |
+
b_eq = _format_b_constraints(b_eq)
|
| 371 |
+
except ValueError as e:
|
| 372 |
+
raise TypeError(
|
| 373 |
+
"Invalid input for linprog: b_eq must be a dense, 1-D array of "
|
| 374 |
+
"numerical values, each representing the right hand side of an "
|
| 375 |
+
"equality constraint (row) in A_eq") from e
|
| 376 |
+
else:
|
| 377 |
+
if b_eq.shape != (n_eq,):
|
| 378 |
+
raise ValueError(
|
| 379 |
+
"Invalid input for linprog: b_eq must be a 1-D array; b_eq "
|
| 380 |
+
"must not have more than one non-singleton dimension and "
|
| 381 |
+
"the number of rows in A_eq must equal the number of values "
|
| 382 |
+
"in b_eq")
|
| 383 |
+
if not np.isfinite(b_eq).all():
|
| 384 |
+
raise ValueError(
|
| 385 |
+
"Invalid input for linprog: b_eq must not contain values "
|
| 386 |
+
"inf, nan, or None")
|
| 387 |
+
|
| 388 |
+
# x0 gives a (optional) starting solution to the solver. If x0 is None,
|
| 389 |
+
# skip the checks. Initial solution will be generated automatically.
|
| 390 |
+
if x0 is not None:
|
| 391 |
+
try:
|
| 392 |
+
x0 = np.array(x0, dtype=float, copy=True).squeeze()
|
| 393 |
+
except ValueError as e:
|
| 394 |
+
raise TypeError(
|
| 395 |
+
"Invalid input for linprog: x0 must be a 1-D array of "
|
| 396 |
+
"numerical coefficients") from e
|
| 397 |
+
if x0.ndim == 0:
|
| 398 |
+
x0 = x0.reshape(-1)
|
| 399 |
+
if len(x0) == 0 or x0.ndim != 1:
|
| 400 |
+
raise ValueError(
|
| 401 |
+
"Invalid input for linprog: x0 should be a 1-D array; it "
|
| 402 |
+
"must not have more than one non-singleton dimension")
|
| 403 |
+
if not x0.size == c.size:
|
| 404 |
+
raise ValueError(
|
| 405 |
+
"Invalid input for linprog: x0 and c should contain the "
|
| 406 |
+
"same number of elements")
|
| 407 |
+
if not np.isfinite(x0).all():
|
| 408 |
+
raise ValueError(
|
| 409 |
+
"Invalid input for linprog: x0 must not contain values "
|
| 410 |
+
"inf, nan, or None")
|
| 411 |
+
|
| 412 |
+
# Bounds can be one of these formats:
|
| 413 |
+
# (1) a 2-D array or sequence, with shape N x 2
|
| 414 |
+
# (2) a 1-D or 2-D sequence or array with 2 scalars
|
| 415 |
+
# (3) None (or an empty sequence or array)
|
| 416 |
+
# Unspecified bounds can be represented by None or (-)np.inf.
|
| 417 |
+
# All formats are converted into a N x 2 np.array with (-)np.inf where
|
| 418 |
+
# bounds are unspecified.
|
| 419 |
+
|
| 420 |
+
# Prepare clean bounds array
|
| 421 |
+
bounds_clean = np.zeros((n_x, 2), dtype=float)
|
| 422 |
+
|
| 423 |
+
# Convert to a numpy array.
|
| 424 |
+
# np.array(..,dtype=float) raises an error if dimensions are inconsistent
|
| 425 |
+
# or if there are invalid data types in bounds. Just add a linprog prefix
|
| 426 |
+
# to the error and re-raise.
|
| 427 |
+
# Creating at least a 2-D array simplifies the cases to distinguish below.
|
| 428 |
+
if bounds is None or np.array_equal(bounds, []) or np.array_equal(bounds, [[]]):
|
| 429 |
+
bounds = (0, np.inf)
|
| 430 |
+
try:
|
| 431 |
+
bounds_conv = np.atleast_2d(np.array(bounds, dtype=float))
|
| 432 |
+
except ValueError as e:
|
| 433 |
+
raise ValueError(
|
| 434 |
+
"Invalid input for linprog: unable to interpret bounds, "
|
| 435 |
+
"check values and dimensions: " + e.args[0]) from e
|
| 436 |
+
except TypeError as e:
|
| 437 |
+
raise TypeError(
|
| 438 |
+
"Invalid input for linprog: unable to interpret bounds, "
|
| 439 |
+
"check values and dimensions: " + e.args[0]) from e
|
| 440 |
+
|
| 441 |
+
# Check bounds options
|
| 442 |
+
bsh = bounds_conv.shape
|
| 443 |
+
if len(bsh) > 2:
|
| 444 |
+
# Do not try to handle multidimensional bounds input
|
| 445 |
+
raise ValueError(
|
| 446 |
+
"Invalid input for linprog: provide a 2-D array for bounds, "
|
| 447 |
+
f"not a {len(bsh):d}-D array.")
|
| 448 |
+
elif np.all(bsh == (n_x, 2)):
|
| 449 |
+
# Regular N x 2 array
|
| 450 |
+
bounds_clean = bounds_conv
|
| 451 |
+
elif (np.all(bsh == (2, 1)) or np.all(bsh == (1, 2))):
|
| 452 |
+
# 2 values: interpret as overall lower and upper bound
|
| 453 |
+
bounds_flat = bounds_conv.flatten()
|
| 454 |
+
bounds_clean[:, 0] = bounds_flat[0]
|
| 455 |
+
bounds_clean[:, 1] = bounds_flat[1]
|
| 456 |
+
elif np.all(bsh == (2, n_x)):
|
| 457 |
+
# Reject a 2 x N array
|
| 458 |
+
raise ValueError(
|
| 459 |
+
f"Invalid input for linprog: provide a {n_x:d} x 2 array for bounds, "
|
| 460 |
+
f"not a 2 x {n_x:d} array.")
|
| 461 |
+
else:
|
| 462 |
+
raise ValueError(
|
| 463 |
+
"Invalid input for linprog: unable to interpret bounds with this "
|
| 464 |
+
f"dimension tuple: {bsh}.")
|
| 465 |
+
|
| 466 |
+
# The process above creates nan-s where the input specified None
|
| 467 |
+
# Convert the nan-s in the 1st column to -np.inf and in the 2nd column
|
| 468 |
+
# to np.inf
|
| 469 |
+
i_none = np.isnan(bounds_clean[:, 0])
|
| 470 |
+
bounds_clean[i_none, 0] = -np.inf
|
| 471 |
+
i_none = np.isnan(bounds_clean[:, 1])
|
| 472 |
+
bounds_clean[i_none, 1] = np.inf
|
| 473 |
+
|
| 474 |
+
return _LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds_clean, x0, integrality)
|
| 475 |
+
|
| 476 |
+
|
| 477 |
+
def _presolve(lp, rr, rr_method, tol=1e-9):
|
| 478 |
+
"""
|
| 479 |
+
Given inputs for a linear programming problem in preferred format,
|
| 480 |
+
presolve the problem: identify trivial infeasibilities, redundancies,
|
| 481 |
+
and unboundedness, tighten bounds where possible, and eliminate fixed
|
| 482 |
+
variables.
|
| 483 |
+
|
| 484 |
+
Parameters
|
| 485 |
+
----------
|
| 486 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 487 |
+
|
| 488 |
+
c : 1D array
|
| 489 |
+
The coefficients of the linear objective function to be minimized.
|
| 490 |
+
A_ub : 2D array, optional
|
| 491 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 492 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 493 |
+
b_ub : 1D array, optional
|
| 494 |
+
The inequality constraint vector. Each element represents an
|
| 495 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 496 |
+
A_eq : 2D array, optional
|
| 497 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 498 |
+
coefficients of a linear equality constraint on ``x``.
|
| 499 |
+
b_eq : 1D array, optional
|
| 500 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 501 |
+
the corresponding element of ``b_eq``.
|
| 502 |
+
bounds : 2D array
|
| 503 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs, one for each of the N
|
| 504 |
+
elements of ``x``. The N x 2 array contains lower bounds in the first
|
| 505 |
+
column and upper bounds in the 2nd. Unbounded variables have lower
|
| 506 |
+
bound -np.inf and/or upper bound np.inf.
|
| 507 |
+
x0 : 1D array, optional
|
| 508 |
+
Guess values of the decision variables, which will be refined by
|
| 509 |
+
the optimization algorithm. This argument is currently used only by the
|
| 510 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 511 |
+
basic feasible solution.
|
| 512 |
+
|
| 513 |
+
rr : bool
|
| 514 |
+
If ``True`` attempts to eliminate any redundant rows in ``A_eq``.
|
| 515 |
+
Set False if ``A_eq`` is known to be of full row rank, or if you are
|
| 516 |
+
looking for a potential speedup (at the expense of reliability).
|
| 517 |
+
rr_method : string
|
| 518 |
+
Method used to identify and remove redundant rows from the
|
| 519 |
+
equality constraint matrix after presolve.
|
| 520 |
+
tol : float
|
| 521 |
+
The tolerance which determines when a solution is "close enough" to
|
| 522 |
+
zero in Phase 1 to be considered a basic feasible solution or close
|
| 523 |
+
enough to positive to serve as an optimal solution.
|
| 524 |
+
|
| 525 |
+
Returns
|
| 526 |
+
-------
|
| 527 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 528 |
+
|
| 529 |
+
c : 1D array
|
| 530 |
+
The coefficients of the linear objective function to be minimized.
|
| 531 |
+
A_ub : 2D array, optional
|
| 532 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 533 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 534 |
+
b_ub : 1D array, optional
|
| 535 |
+
The inequality constraint vector. Each element represents an
|
| 536 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 537 |
+
A_eq : 2D array, optional
|
| 538 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 539 |
+
coefficients of a linear equality constraint on ``x``.
|
| 540 |
+
b_eq : 1D array, optional
|
| 541 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 542 |
+
the corresponding element of ``b_eq``.
|
| 543 |
+
bounds : 2D array
|
| 544 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs, possibly tightened.
|
| 545 |
+
x0 : 1D array, optional
|
| 546 |
+
Guess values of the decision variables, which will be refined by
|
| 547 |
+
the optimization algorithm. This argument is currently used only by the
|
| 548 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 549 |
+
basic feasible solution.
|
| 550 |
+
|
| 551 |
+
c0 : 1D array
|
| 552 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 553 |
+
variables.
|
| 554 |
+
x : 1D array
|
| 555 |
+
Solution vector (when the solution is trivial and can be determined
|
| 556 |
+
in presolve)
|
| 557 |
+
revstack: list of functions
|
| 558 |
+
the functions in the list reverse the operations of _presolve()
|
| 559 |
+
the function signature is x_org = f(x_mod), where x_mod is the result
|
| 560 |
+
of a presolve step and x_org the value at the start of the step
|
| 561 |
+
(currently, the revstack contains only one function)
|
| 562 |
+
complete: bool
|
| 563 |
+
Whether the solution is complete (solved or determined to be infeasible
|
| 564 |
+
or unbounded in presolve)
|
| 565 |
+
status : int
|
| 566 |
+
An integer representing the exit status of the optimization::
|
| 567 |
+
|
| 568 |
+
0 : Optimization terminated successfully
|
| 569 |
+
1 : Iteration limit reached
|
| 570 |
+
2 : Problem appears to be infeasible
|
| 571 |
+
3 : Problem appears to be unbounded
|
| 572 |
+
4 : Serious numerical difficulties encountered
|
| 573 |
+
|
| 574 |
+
message : str
|
| 575 |
+
A string descriptor of the exit status of the optimization.
|
| 576 |
+
|
| 577 |
+
References
|
| 578 |
+
----------
|
| 579 |
+
.. [5] Andersen, Erling D. "Finding all linearly dependent rows in
|
| 580 |
+
large-scale linear programming." Optimization Methods and Software
|
| 581 |
+
6.3 (1995): 219-227.
|
| 582 |
+
.. [8] Andersen, Erling D., and Knud D. Andersen. "Presolving in linear
|
| 583 |
+
programming." Mathematical Programming 71.2 (1995): 221-245.
|
| 584 |
+
|
| 585 |
+
"""
|
| 586 |
+
# ideas from Reference [5] by Andersen and Andersen
|
| 587 |
+
# however, unlike the reference, this is performed before converting
|
| 588 |
+
# problem to standard form
|
| 589 |
+
# There are a few advantages:
|
| 590 |
+
# * artificial variables have not been added, so matrices are smaller
|
| 591 |
+
# * bounds have not been converted to constraints yet. (It is better to
|
| 592 |
+
# do that after presolve because presolve may adjust the simple bounds.)
|
| 593 |
+
# There are many improvements that can be made, namely:
|
| 594 |
+
# * implement remaining checks from [5]
|
| 595 |
+
# * loop presolve until no additional changes are made
|
| 596 |
+
# * implement additional efficiency improvements in redundancy removal [2]
|
| 597 |
+
|
| 598 |
+
c, A_ub, b_ub, A_eq, b_eq, bounds, x0, _ = lp
|
| 599 |
+
|
| 600 |
+
revstack = [] # record of variables eliminated from problem
|
| 601 |
+
# constant term in cost function may be added if variables are eliminated
|
| 602 |
+
c0 = 0
|
| 603 |
+
complete = False # complete is True if detected infeasible/unbounded
|
| 604 |
+
x = np.zeros(c.shape) # this is solution vector if completed in presolve
|
| 605 |
+
|
| 606 |
+
status = 0 # all OK unless determined otherwise
|
| 607 |
+
message = ""
|
| 608 |
+
|
| 609 |
+
# Lower and upper bounds. Copy to prevent feedback.
|
| 610 |
+
lb = bounds[:, 0].copy()
|
| 611 |
+
ub = bounds[:, 1].copy()
|
| 612 |
+
|
| 613 |
+
m_eq, n = A_eq.shape
|
| 614 |
+
m_ub, n = A_ub.shape
|
| 615 |
+
|
| 616 |
+
if (rr_method is not None
|
| 617 |
+
and rr_method.lower() not in {"svd", "pivot", "id"}):
|
| 618 |
+
message = ("'" + str(rr_method) + "' is not a valid option "
|
| 619 |
+
"for redundancy removal. Valid options are 'SVD', "
|
| 620 |
+
"'pivot', and 'ID'.")
|
| 621 |
+
raise ValueError(message)
|
| 622 |
+
|
| 623 |
+
if sps.issparse(A_eq):
|
| 624 |
+
A_eq = A_eq.tocsr()
|
| 625 |
+
A_ub = A_ub.tocsr()
|
| 626 |
+
|
| 627 |
+
def where(A):
|
| 628 |
+
return A.nonzero()
|
| 629 |
+
|
| 630 |
+
vstack = sps.vstack
|
| 631 |
+
else:
|
| 632 |
+
where = np.where
|
| 633 |
+
vstack = np.vstack
|
| 634 |
+
|
| 635 |
+
# upper bounds > lower bounds
|
| 636 |
+
if np.any(ub < lb) or np.any(lb == np.inf) or np.any(ub == -np.inf):
|
| 637 |
+
status = 2
|
| 638 |
+
message = ("The problem is (trivially) infeasible since one "
|
| 639 |
+
"or more upper bounds are smaller than the corresponding "
|
| 640 |
+
"lower bounds, a lower bound is np.inf or an upper bound "
|
| 641 |
+
"is -np.inf.")
|
| 642 |
+
complete = True
|
| 643 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 644 |
+
c0, x, revstack, complete, status, message)
|
| 645 |
+
|
| 646 |
+
# zero row in equality constraints
|
| 647 |
+
zero_row = np.array(np.sum(A_eq != 0, axis=1) == 0).flatten()
|
| 648 |
+
if np.any(zero_row):
|
| 649 |
+
if np.any(
|
| 650 |
+
np.logical_and(
|
| 651 |
+
zero_row,
|
| 652 |
+
np.abs(b_eq) > tol)): # test_zero_row_1
|
| 653 |
+
# infeasible if RHS is not zero
|
| 654 |
+
status = 2
|
| 655 |
+
message = ("The problem is (trivially) infeasible due to a row "
|
| 656 |
+
"of zeros in the equality constraint matrix with a "
|
| 657 |
+
"nonzero corresponding constraint value.")
|
| 658 |
+
complete = True
|
| 659 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 660 |
+
c0, x, revstack, complete, status, message)
|
| 661 |
+
else: # test_zero_row_2
|
| 662 |
+
# if RHS is zero, we can eliminate this equation entirely
|
| 663 |
+
A_eq = A_eq[np.logical_not(zero_row), :]
|
| 664 |
+
b_eq = b_eq[np.logical_not(zero_row)]
|
| 665 |
+
|
| 666 |
+
# zero row in inequality constraints
|
| 667 |
+
zero_row = np.array(np.sum(A_ub != 0, axis=1) == 0).flatten()
|
| 668 |
+
if np.any(zero_row):
|
| 669 |
+
if np.any(np.logical_and(zero_row, b_ub < -tol)): # test_zero_row_1
|
| 670 |
+
# infeasible if RHS is less than zero (because LHS is zero)
|
| 671 |
+
status = 2
|
| 672 |
+
message = ("The problem is (trivially) infeasible due to a row "
|
| 673 |
+
"of zeros in the equality constraint matrix with a "
|
| 674 |
+
"nonzero corresponding constraint value.")
|
| 675 |
+
complete = True
|
| 676 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 677 |
+
c0, x, revstack, complete, status, message)
|
| 678 |
+
else: # test_zero_row_2
|
| 679 |
+
# if LHS is >= 0, we can eliminate this constraint entirely
|
| 680 |
+
A_ub = A_ub[np.logical_not(zero_row), :]
|
| 681 |
+
b_ub = b_ub[np.logical_not(zero_row)]
|
| 682 |
+
|
| 683 |
+
# zero column in (both) constraints
|
| 684 |
+
# this indicates that a variable isn't constrained and can be removed
|
| 685 |
+
A = vstack((A_eq, A_ub))
|
| 686 |
+
if A.shape[0] > 0:
|
| 687 |
+
zero_col = np.array(np.sum(A != 0, axis=0) == 0).flatten()
|
| 688 |
+
# variable will be at upper or lower bound, depending on objective
|
| 689 |
+
x[np.logical_and(zero_col, c < 0)] = ub[
|
| 690 |
+
np.logical_and(zero_col, c < 0)]
|
| 691 |
+
x[np.logical_and(zero_col, c > 0)] = lb[
|
| 692 |
+
np.logical_and(zero_col, c > 0)]
|
| 693 |
+
if np.any(np.isinf(x)): # if an unconstrained variable has no bound
|
| 694 |
+
status = 3
|
| 695 |
+
message = ("If feasible, the problem is (trivially) unbounded "
|
| 696 |
+
"due to a zero column in the constraint matrices. If "
|
| 697 |
+
"you wish to check whether the problem is infeasible, "
|
| 698 |
+
"turn presolve off.")
|
| 699 |
+
complete = True
|
| 700 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 701 |
+
c0, x, revstack, complete, status, message)
|
| 702 |
+
# variables will equal upper/lower bounds will be removed later
|
| 703 |
+
lb[np.logical_and(zero_col, c < 0)] = ub[
|
| 704 |
+
np.logical_and(zero_col, c < 0)]
|
| 705 |
+
ub[np.logical_and(zero_col, c > 0)] = lb[
|
| 706 |
+
np.logical_and(zero_col, c > 0)]
|
| 707 |
+
|
| 708 |
+
# row singleton in equality constraints
|
| 709 |
+
# this fixes a variable and removes the constraint
|
| 710 |
+
singleton_row = np.array(np.sum(A_eq != 0, axis=1) == 1).flatten()
|
| 711 |
+
rows = where(singleton_row)[0]
|
| 712 |
+
cols = where(A_eq[rows, :])[1]
|
| 713 |
+
if len(rows) > 0:
|
| 714 |
+
for row, col in zip(rows, cols):
|
| 715 |
+
val = b_eq[row] / A_eq[row, col]
|
| 716 |
+
if not lb[col] - tol <= val <= ub[col] + tol:
|
| 717 |
+
# infeasible if fixed value is not within bounds
|
| 718 |
+
status = 2
|
| 719 |
+
message = ("The problem is (trivially) infeasible because a "
|
| 720 |
+
"singleton row in the equality constraints is "
|
| 721 |
+
"inconsistent with the bounds.")
|
| 722 |
+
complete = True
|
| 723 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 724 |
+
c0, x, revstack, complete, status, message)
|
| 725 |
+
else:
|
| 726 |
+
# sets upper and lower bounds at that fixed value - variable
|
| 727 |
+
# will be removed later
|
| 728 |
+
lb[col] = val
|
| 729 |
+
ub[col] = val
|
| 730 |
+
A_eq = A_eq[np.logical_not(singleton_row), :]
|
| 731 |
+
b_eq = b_eq[np.logical_not(singleton_row)]
|
| 732 |
+
|
| 733 |
+
# row singleton in inequality constraints
|
| 734 |
+
# this indicates a simple bound and the constraint can be removed
|
| 735 |
+
# simple bounds may be adjusted here
|
| 736 |
+
# After all of the simple bound information is combined here, get_Abc will
|
| 737 |
+
# turn the simple bounds into constraints
|
| 738 |
+
singleton_row = np.array(np.sum(A_ub != 0, axis=1) == 1).flatten()
|
| 739 |
+
cols = where(A_ub[singleton_row, :])[1]
|
| 740 |
+
rows = where(singleton_row)[0]
|
| 741 |
+
if len(rows) > 0:
|
| 742 |
+
for row, col in zip(rows, cols):
|
| 743 |
+
val = b_ub[row] / A_ub[row, col]
|
| 744 |
+
if A_ub[row, col] > 0: # upper bound
|
| 745 |
+
if val < lb[col] - tol: # infeasible
|
| 746 |
+
complete = True
|
| 747 |
+
elif val < ub[col]: # new upper bound
|
| 748 |
+
ub[col] = val
|
| 749 |
+
else: # lower bound
|
| 750 |
+
if val > ub[col] + tol: # infeasible
|
| 751 |
+
complete = True
|
| 752 |
+
elif val > lb[col]: # new lower bound
|
| 753 |
+
lb[col] = val
|
| 754 |
+
if complete:
|
| 755 |
+
status = 2
|
| 756 |
+
message = ("The problem is (trivially) infeasible because a "
|
| 757 |
+
"singleton row in the upper bound constraints is "
|
| 758 |
+
"inconsistent with the bounds.")
|
| 759 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 760 |
+
c0, x, revstack, complete, status, message)
|
| 761 |
+
A_ub = A_ub[np.logical_not(singleton_row), :]
|
| 762 |
+
b_ub = b_ub[np.logical_not(singleton_row)]
|
| 763 |
+
|
| 764 |
+
# identical bounds indicate that variable can be removed
|
| 765 |
+
i_f = np.abs(lb - ub) < tol # indices of "fixed" variables
|
| 766 |
+
i_nf = np.logical_not(i_f) # indices of "not fixed" variables
|
| 767 |
+
|
| 768 |
+
# test_bounds_equal_but_infeasible
|
| 769 |
+
if np.all(i_f): # if bounds define solution, check for consistency
|
| 770 |
+
residual = b_eq - A_eq.dot(lb)
|
| 771 |
+
slack = b_ub - A_ub.dot(lb)
|
| 772 |
+
if ((A_ub.size > 0 and np.any(slack < 0)) or
|
| 773 |
+
(A_eq.size > 0 and not np.allclose(residual, 0))):
|
| 774 |
+
status = 2
|
| 775 |
+
message = ("The problem is (trivially) infeasible because the "
|
| 776 |
+
"bounds fix all variables to values inconsistent with "
|
| 777 |
+
"the constraints")
|
| 778 |
+
complete = True
|
| 779 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 780 |
+
c0, x, revstack, complete, status, message)
|
| 781 |
+
|
| 782 |
+
ub_mod = ub
|
| 783 |
+
lb_mod = lb
|
| 784 |
+
if np.any(i_f):
|
| 785 |
+
c0 += c[i_f].dot(lb[i_f])
|
| 786 |
+
b_eq = b_eq - A_eq[:, i_f].dot(lb[i_f])
|
| 787 |
+
b_ub = b_ub - A_ub[:, i_f].dot(lb[i_f])
|
| 788 |
+
c = c[i_nf]
|
| 789 |
+
x_undo = lb[i_f] # not x[i_f], x is just zeroes
|
| 790 |
+
x = x[i_nf]
|
| 791 |
+
# user guess x0 stays separate from presolve solution x
|
| 792 |
+
if x0 is not None:
|
| 793 |
+
x0 = x0[i_nf]
|
| 794 |
+
A_eq = A_eq[:, i_nf]
|
| 795 |
+
A_ub = A_ub[:, i_nf]
|
| 796 |
+
# modify bounds
|
| 797 |
+
lb_mod = lb[i_nf]
|
| 798 |
+
ub_mod = ub[i_nf]
|
| 799 |
+
|
| 800 |
+
def rev(x_mod):
|
| 801 |
+
# Function to restore x: insert x_undo into x_mod.
|
| 802 |
+
# When elements have been removed at positions k1, k2, k3, ...
|
| 803 |
+
# then these must be replaced at (after) positions k1-1, k2-2,
|
| 804 |
+
# k3-3, ... in the modified array to recreate the original
|
| 805 |
+
i = np.flatnonzero(i_f)
|
| 806 |
+
# Number of variables to restore
|
| 807 |
+
N = len(i)
|
| 808 |
+
index_offset = np.arange(N)
|
| 809 |
+
# Create insert indices
|
| 810 |
+
insert_indices = i - index_offset
|
| 811 |
+
x_rev = np.insert(x_mod.astype(float), insert_indices, x_undo)
|
| 812 |
+
return x_rev
|
| 813 |
+
|
| 814 |
+
# Use revstack as a list of functions, currently just this one.
|
| 815 |
+
revstack.append(rev)
|
| 816 |
+
|
| 817 |
+
# no constraints indicates that problem is trivial
|
| 818 |
+
if A_eq.size == 0 and A_ub.size == 0:
|
| 819 |
+
b_eq = np.array([])
|
| 820 |
+
b_ub = np.array([])
|
| 821 |
+
# test_empty_constraint_1
|
| 822 |
+
if c.size == 0:
|
| 823 |
+
status = 0
|
| 824 |
+
message = ("The solution was determined in presolve as there are "
|
| 825 |
+
"no non-trivial constraints.")
|
| 826 |
+
elif (np.any(np.logical_and(c < 0, ub_mod == np.inf)) or
|
| 827 |
+
np.any(np.logical_and(c > 0, lb_mod == -np.inf))):
|
| 828 |
+
# test_no_constraints()
|
| 829 |
+
# test_unbounded_no_nontrivial_constraints_1
|
| 830 |
+
# test_unbounded_no_nontrivial_constraints_2
|
| 831 |
+
status = 3
|
| 832 |
+
message = ("The problem is (trivially) unbounded "
|
| 833 |
+
"because there are no non-trivial constraints and "
|
| 834 |
+
"a) at least one decision variable is unbounded "
|
| 835 |
+
"above and its corresponding cost is negative, or "
|
| 836 |
+
"b) at least one decision variable is unbounded below "
|
| 837 |
+
"and its corresponding cost is positive. ")
|
| 838 |
+
else: # test_empty_constraint_2
|
| 839 |
+
status = 0
|
| 840 |
+
message = ("The solution was determined in presolve as there are "
|
| 841 |
+
"no non-trivial constraints.")
|
| 842 |
+
complete = True
|
| 843 |
+
x[c < 0] = ub_mod[c < 0]
|
| 844 |
+
x[c > 0] = lb_mod[c > 0]
|
| 845 |
+
# where c is zero, set x to a finite bound or zero
|
| 846 |
+
x_zero_c = ub_mod[c == 0]
|
| 847 |
+
x_zero_c[np.isinf(x_zero_c)] = ub_mod[c == 0][np.isinf(x_zero_c)]
|
| 848 |
+
x_zero_c[np.isinf(x_zero_c)] = 0
|
| 849 |
+
x[c == 0] = x_zero_c
|
| 850 |
+
# if this is not the last step of presolve, should convert bounds back
|
| 851 |
+
# to array and return here
|
| 852 |
+
|
| 853 |
+
# Convert modified lb and ub back into N x 2 bounds
|
| 854 |
+
bounds = np.hstack((lb_mod[:, np.newaxis], ub_mod[:, np.newaxis]))
|
| 855 |
+
|
| 856 |
+
# remove redundant (linearly dependent) rows from equality constraints
|
| 857 |
+
n_rows_A = A_eq.shape[0]
|
| 858 |
+
redundancy_warning = ("A_eq does not appear to be of full row rank. To "
|
| 859 |
+
"improve performance, check the problem formulation "
|
| 860 |
+
"for redundant equality constraints.")
|
| 861 |
+
if (sps.issparse(A_eq)):
|
| 862 |
+
if rr and A_eq.size > 0: # TODO: Fast sparse rank check?
|
| 863 |
+
rr_res = _remove_redundancy_pivot_sparse(A_eq, b_eq)
|
| 864 |
+
A_eq, b_eq, status, message = rr_res
|
| 865 |
+
if A_eq.shape[0] < n_rows_A:
|
| 866 |
+
warn(redundancy_warning, OptimizeWarning, stacklevel=1)
|
| 867 |
+
if status != 0:
|
| 868 |
+
complete = True
|
| 869 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 870 |
+
c0, x, revstack, complete, status, message)
|
| 871 |
+
|
| 872 |
+
# This is a wild guess for which redundancy removal algorithm will be
|
| 873 |
+
# faster. More testing would be good.
|
| 874 |
+
small_nullspace = 5
|
| 875 |
+
if rr and A_eq.size > 0:
|
| 876 |
+
try: # TODO: use results of first SVD in _remove_redundancy_svd
|
| 877 |
+
rank = np.linalg.matrix_rank(A_eq)
|
| 878 |
+
# oh well, we'll have to go with _remove_redundancy_pivot_dense
|
| 879 |
+
except Exception:
|
| 880 |
+
rank = 0
|
| 881 |
+
if rr and A_eq.size > 0 and rank < A_eq.shape[0]:
|
| 882 |
+
warn(redundancy_warning, OptimizeWarning, stacklevel=3)
|
| 883 |
+
dim_row_nullspace = A_eq.shape[0]-rank
|
| 884 |
+
if rr_method is None:
|
| 885 |
+
if dim_row_nullspace <= small_nullspace:
|
| 886 |
+
rr_res = _remove_redundancy_svd(A_eq, b_eq)
|
| 887 |
+
A_eq, b_eq, status, message = rr_res
|
| 888 |
+
if dim_row_nullspace > small_nullspace or status == 4:
|
| 889 |
+
rr_res = _remove_redundancy_pivot_dense(A_eq, b_eq)
|
| 890 |
+
A_eq, b_eq, status, message = rr_res
|
| 891 |
+
|
| 892 |
+
else:
|
| 893 |
+
rr_method = rr_method.lower()
|
| 894 |
+
if rr_method == "svd":
|
| 895 |
+
rr_res = _remove_redundancy_svd(A_eq, b_eq)
|
| 896 |
+
A_eq, b_eq, status, message = rr_res
|
| 897 |
+
elif rr_method == "pivot":
|
| 898 |
+
rr_res = _remove_redundancy_pivot_dense(A_eq, b_eq)
|
| 899 |
+
A_eq, b_eq, status, message = rr_res
|
| 900 |
+
elif rr_method == "id":
|
| 901 |
+
rr_res = _remove_redundancy_id(A_eq, b_eq, rank)
|
| 902 |
+
A_eq, b_eq, status, message = rr_res
|
| 903 |
+
else: # shouldn't get here; option validity checked above
|
| 904 |
+
pass
|
| 905 |
+
if A_eq.shape[0] < rank:
|
| 906 |
+
message = ("Due to numerical issues, redundant equality "
|
| 907 |
+
"constraints could not be removed automatically. "
|
| 908 |
+
"Try providing your constraint matrices as sparse "
|
| 909 |
+
"matrices to activate sparse presolve, try turning "
|
| 910 |
+
"off redundancy removal, or try turning off presolve "
|
| 911 |
+
"altogether.")
|
| 912 |
+
status = 4
|
| 913 |
+
if status != 0:
|
| 914 |
+
complete = True
|
| 915 |
+
return (_LPProblem(c, A_ub, b_ub, A_eq, b_eq, bounds, x0),
|
| 916 |
+
c0, x, revstack, complete, status, message)
|
| 917 |
+
|
| 918 |
+
|
| 919 |
+
def _parse_linprog(lp, options, meth):
|
| 920 |
+
"""
|
| 921 |
+
Parse the provided linear programming problem
|
| 922 |
+
|
| 923 |
+
``_parse_linprog`` employs two main steps ``_check_sparse_inputs`` and
|
| 924 |
+
``_clean_inputs``. ``_check_sparse_inputs`` checks for sparsity in the
|
| 925 |
+
provided constraints (``A_ub`` and ``A_eq) and if these match the provided
|
| 926 |
+
sparsity optional values.
|
| 927 |
+
|
| 928 |
+
``_clean inputs`` checks of the provided inputs. If no violations are
|
| 929 |
+
identified the objective vector, upper bound constraints, equality
|
| 930 |
+
constraints, and simple bounds are returned in the expected format.
|
| 931 |
+
|
| 932 |
+
Parameters
|
| 933 |
+
----------
|
| 934 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 935 |
+
|
| 936 |
+
c : 1D array
|
| 937 |
+
The coefficients of the linear objective function to be minimized.
|
| 938 |
+
A_ub : 2D array, optional
|
| 939 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 940 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 941 |
+
b_ub : 1D array, optional
|
| 942 |
+
The inequality constraint vector. Each element represents an
|
| 943 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 944 |
+
A_eq : 2D array, optional
|
| 945 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 946 |
+
coefficients of a linear equality constraint on ``x``.
|
| 947 |
+
b_eq : 1D array, optional
|
| 948 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 949 |
+
the corresponding element of ``b_eq``.
|
| 950 |
+
bounds : various valid formats, optional
|
| 951 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs.
|
| 952 |
+
If bounds are specified for all N variables separately, valid formats are:
|
| 953 |
+
* a 2D array (2 x N or N x 2);
|
| 954 |
+
* a sequence of N sequences, each with 2 values.
|
| 955 |
+
If all variables have the same bounds, a single pair of values can
|
| 956 |
+
be specified. Valid formats are:
|
| 957 |
+
* a sequence with 2 scalar values;
|
| 958 |
+
* a sequence with a single element containing 2 scalar values.
|
| 959 |
+
If all variables have a lower bound of 0 and no upper bound, the bounds
|
| 960 |
+
parameter can be omitted (or given as None).
|
| 961 |
+
x0 : 1D array, optional
|
| 962 |
+
Guess values of the decision variables, which will be refined by
|
| 963 |
+
the optimization algorithm. This argument is currently used only by the
|
| 964 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 965 |
+
basic feasible solution.
|
| 966 |
+
|
| 967 |
+
options : dict
|
| 968 |
+
A dictionary of solver options. All methods accept the following
|
| 969 |
+
generic options:
|
| 970 |
+
|
| 971 |
+
maxiter : int
|
| 972 |
+
Maximum number of iterations to perform.
|
| 973 |
+
disp : bool
|
| 974 |
+
Set to True to print convergence messages.
|
| 975 |
+
|
| 976 |
+
For method-specific options, see :func:`show_options('linprog')`.
|
| 977 |
+
|
| 978 |
+
Returns
|
| 979 |
+
-------
|
| 980 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 981 |
+
|
| 982 |
+
c : 1D array
|
| 983 |
+
The coefficients of the linear objective function to be minimized.
|
| 984 |
+
A_ub : 2D array, optional
|
| 985 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 986 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 987 |
+
b_ub : 1D array, optional
|
| 988 |
+
The inequality constraint vector. Each element represents an
|
| 989 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 990 |
+
A_eq : 2D array, optional
|
| 991 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 992 |
+
coefficients of a linear equality constraint on ``x``.
|
| 993 |
+
b_eq : 1D array, optional
|
| 994 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 995 |
+
the corresponding element of ``b_eq``.
|
| 996 |
+
bounds : 2D array
|
| 997 |
+
The bounds of ``x``, as ``min`` and ``max`` pairs, one for each of the N
|
| 998 |
+
elements of ``x``. The N x 2 array contains lower bounds in the first
|
| 999 |
+
column and upper bounds in the 2nd. Unbounded variables have lower
|
| 1000 |
+
bound -np.inf and/or upper bound np.inf.
|
| 1001 |
+
x0 : 1D array, optional
|
| 1002 |
+
Guess values of the decision variables, which will be refined by
|
| 1003 |
+
the optimization algorithm. This argument is currently used only by the
|
| 1004 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 1005 |
+
basic feasible solution.
|
| 1006 |
+
|
| 1007 |
+
options : dict, optional
|
| 1008 |
+
A dictionary of solver options. All methods accept the following
|
| 1009 |
+
generic options:
|
| 1010 |
+
|
| 1011 |
+
maxiter : int
|
| 1012 |
+
Maximum number of iterations to perform.
|
| 1013 |
+
disp : bool
|
| 1014 |
+
Set to True to print convergence messages.
|
| 1015 |
+
|
| 1016 |
+
For method-specific options, see :func:`show_options('linprog')`.
|
| 1017 |
+
|
| 1018 |
+
"""
|
| 1019 |
+
if options is None:
|
| 1020 |
+
options = {}
|
| 1021 |
+
|
| 1022 |
+
solver_options = {k: v for k, v in options.items()}
|
| 1023 |
+
solver_options, A_ub, A_eq = _check_sparse_inputs(solver_options, meth,
|
| 1024 |
+
lp.A_ub, lp.A_eq)
|
| 1025 |
+
# Convert lists to numpy arrays, etc...
|
| 1026 |
+
lp = _clean_inputs(lp._replace(A_ub=A_ub, A_eq=A_eq))
|
| 1027 |
+
return lp, solver_options
|
| 1028 |
+
|
| 1029 |
+
|
| 1030 |
+
def _get_Abc(lp, c0):
|
| 1031 |
+
"""
|
| 1032 |
+
Given a linear programming problem of the form:
|
| 1033 |
+
|
| 1034 |
+
Minimize::
|
| 1035 |
+
|
| 1036 |
+
c @ x
|
| 1037 |
+
|
| 1038 |
+
Subject to::
|
| 1039 |
+
|
| 1040 |
+
A_ub @ x <= b_ub
|
| 1041 |
+
A_eq @ x == b_eq
|
| 1042 |
+
lb <= x <= ub
|
| 1043 |
+
|
| 1044 |
+
where ``lb = 0`` and ``ub = None`` unless set in ``bounds``.
|
| 1045 |
+
|
| 1046 |
+
Return the problem in standard form:
|
| 1047 |
+
|
| 1048 |
+
Minimize::
|
| 1049 |
+
|
| 1050 |
+
c @ x
|
| 1051 |
+
|
| 1052 |
+
Subject to::
|
| 1053 |
+
|
| 1054 |
+
A @ x == b
|
| 1055 |
+
x >= 0
|
| 1056 |
+
|
| 1057 |
+
by adding slack variables and making variable substitutions as necessary.
|
| 1058 |
+
|
| 1059 |
+
Parameters
|
| 1060 |
+
----------
|
| 1061 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 1062 |
+
|
| 1063 |
+
c : 1D array
|
| 1064 |
+
The coefficients of the linear objective function to be minimized.
|
| 1065 |
+
A_ub : 2D array, optional
|
| 1066 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 1067 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 1068 |
+
b_ub : 1D array, optional
|
| 1069 |
+
The inequality constraint vector. Each element represents an
|
| 1070 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 1071 |
+
A_eq : 2D array, optional
|
| 1072 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 1073 |
+
coefficients of a linear equality constraint on ``x``.
|
| 1074 |
+
b_eq : 1D array, optional
|
| 1075 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 1076 |
+
the corresponding element of ``b_eq``.
|
| 1077 |
+
bounds : 2D array
|
| 1078 |
+
The bounds of ``x``, lower bounds in the 1st column, upper
|
| 1079 |
+
bounds in the 2nd column. The bounds are possibly tightened
|
| 1080 |
+
by the presolve procedure.
|
| 1081 |
+
x0 : 1D array, optional
|
| 1082 |
+
Guess values of the decision variables, which will be refined by
|
| 1083 |
+
the optimization algorithm. This argument is currently used only by the
|
| 1084 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 1085 |
+
basic feasible solution.
|
| 1086 |
+
|
| 1087 |
+
c0 : float
|
| 1088 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 1089 |
+
variables.
|
| 1090 |
+
|
| 1091 |
+
Returns
|
| 1092 |
+
-------
|
| 1093 |
+
A : 2-D array
|
| 1094 |
+
2-D array such that ``A`` @ ``x``, gives the values of the equality
|
| 1095 |
+
constraints at ``x``.
|
| 1096 |
+
b : 1-D array
|
| 1097 |
+
1-D array of values representing the RHS of each equality constraint
|
| 1098 |
+
(row) in A (for standard form problem).
|
| 1099 |
+
c : 1-D array
|
| 1100 |
+
Coefficients of the linear objective function to be minimized (for
|
| 1101 |
+
standard form problem).
|
| 1102 |
+
c0 : float
|
| 1103 |
+
Constant term in objective function due to fixed (and eliminated)
|
| 1104 |
+
variables.
|
| 1105 |
+
x0 : 1-D array
|
| 1106 |
+
Starting values of the independent variables, which will be refined by
|
| 1107 |
+
the optimization algorithm
|
| 1108 |
+
|
| 1109 |
+
References
|
| 1110 |
+
----------
|
| 1111 |
+
.. [9] Bertsimas, Dimitris, and J. Tsitsiklis. "Introduction to linear
|
| 1112 |
+
programming." Athena Scientific 1 (1997): 997.
|
| 1113 |
+
|
| 1114 |
+
"""
|
| 1115 |
+
c, A_ub, b_ub, A_eq, b_eq, bounds, x0, integrality = lp
|
| 1116 |
+
|
| 1117 |
+
if sps.issparse(A_eq):
|
| 1118 |
+
sparse = True
|
| 1119 |
+
A_eq = sps.csr_matrix(A_eq)
|
| 1120 |
+
A_ub = sps.csr_matrix(A_ub)
|
| 1121 |
+
|
| 1122 |
+
def hstack(blocks):
|
| 1123 |
+
return sps.hstack(blocks, format="csr")
|
| 1124 |
+
|
| 1125 |
+
def vstack(blocks):
|
| 1126 |
+
return sps.vstack(blocks, format="csr")
|
| 1127 |
+
|
| 1128 |
+
zeros = sps.csr_matrix
|
| 1129 |
+
eye = sps.eye
|
| 1130 |
+
else:
|
| 1131 |
+
sparse = False
|
| 1132 |
+
hstack = np.hstack
|
| 1133 |
+
vstack = np.vstack
|
| 1134 |
+
zeros = np.zeros
|
| 1135 |
+
eye = np.eye
|
| 1136 |
+
|
| 1137 |
+
# Variables lbs and ubs (see below) may be changed, which feeds back into
|
| 1138 |
+
# bounds, so copy.
|
| 1139 |
+
bounds = np.array(bounds, copy=True)
|
| 1140 |
+
|
| 1141 |
+
# modify problem such that all variables have only non-negativity bounds
|
| 1142 |
+
lbs = bounds[:, 0]
|
| 1143 |
+
ubs = bounds[:, 1]
|
| 1144 |
+
m_ub, n_ub = A_ub.shape
|
| 1145 |
+
|
| 1146 |
+
lb_none = np.equal(lbs, -np.inf)
|
| 1147 |
+
ub_none = np.equal(ubs, np.inf)
|
| 1148 |
+
lb_some = np.logical_not(lb_none)
|
| 1149 |
+
ub_some = np.logical_not(ub_none)
|
| 1150 |
+
|
| 1151 |
+
# unbounded below: substitute xi = -xi' (unbounded above)
|
| 1152 |
+
# if -inf <= xi <= ub, then -ub <= -xi <= inf, so swap and invert bounds
|
| 1153 |
+
l_nolb_someub = np.logical_and(lb_none, ub_some)
|
| 1154 |
+
i_nolb = np.nonzero(l_nolb_someub)[0]
|
| 1155 |
+
lbs[l_nolb_someub], ubs[l_nolb_someub] = (
|
| 1156 |
+
-ubs[l_nolb_someub], -lbs[l_nolb_someub])
|
| 1157 |
+
lb_none = np.equal(lbs, -np.inf)
|
| 1158 |
+
ub_none = np.equal(ubs, np.inf)
|
| 1159 |
+
lb_some = np.logical_not(lb_none)
|
| 1160 |
+
ub_some = np.logical_not(ub_none)
|
| 1161 |
+
c[i_nolb] *= -1
|
| 1162 |
+
if x0 is not None:
|
| 1163 |
+
x0[i_nolb] *= -1
|
| 1164 |
+
if len(i_nolb) > 0:
|
| 1165 |
+
if A_ub.shape[0] > 0: # sometimes needed for sparse arrays... weird
|
| 1166 |
+
A_ub[:, i_nolb] *= -1
|
| 1167 |
+
if A_eq.shape[0] > 0:
|
| 1168 |
+
A_eq[:, i_nolb] *= -1
|
| 1169 |
+
|
| 1170 |
+
# upper bound: add inequality constraint
|
| 1171 |
+
i_newub, = ub_some.nonzero()
|
| 1172 |
+
ub_newub = ubs[ub_some]
|
| 1173 |
+
n_bounds = len(i_newub)
|
| 1174 |
+
if n_bounds > 0:
|
| 1175 |
+
shape = (n_bounds, A_ub.shape[1])
|
| 1176 |
+
if sparse:
|
| 1177 |
+
idxs = (np.arange(n_bounds), i_newub)
|
| 1178 |
+
A_ub = vstack((A_ub, sps.csr_matrix((np.ones(n_bounds), idxs),
|
| 1179 |
+
shape=shape)))
|
| 1180 |
+
else:
|
| 1181 |
+
A_ub = vstack((A_ub, np.zeros(shape)))
|
| 1182 |
+
A_ub[np.arange(m_ub, A_ub.shape[0]), i_newub] = 1
|
| 1183 |
+
b_ub = np.concatenate((b_ub, np.zeros(n_bounds)))
|
| 1184 |
+
b_ub[m_ub:] = ub_newub
|
| 1185 |
+
|
| 1186 |
+
A1 = vstack((A_ub, A_eq))
|
| 1187 |
+
b = np.concatenate((b_ub, b_eq))
|
| 1188 |
+
c = np.concatenate((c, np.zeros((A_ub.shape[0],))))
|
| 1189 |
+
if x0 is not None:
|
| 1190 |
+
x0 = np.concatenate((x0, np.zeros((A_ub.shape[0],))))
|
| 1191 |
+
# unbounded: substitute xi = xi+ + xi-
|
| 1192 |
+
l_free = np.logical_and(lb_none, ub_none)
|
| 1193 |
+
i_free = np.nonzero(l_free)[0]
|
| 1194 |
+
n_free = len(i_free)
|
| 1195 |
+
c = np.concatenate((c, np.zeros(n_free)))
|
| 1196 |
+
if x0 is not None:
|
| 1197 |
+
x0 = np.concatenate((x0, np.zeros(n_free)))
|
| 1198 |
+
A1 = hstack((A1[:, :n_ub], -A1[:, i_free]))
|
| 1199 |
+
c[n_ub:n_ub+n_free] = -c[i_free]
|
| 1200 |
+
if x0 is not None:
|
| 1201 |
+
i_free_neg = x0[i_free] < 0
|
| 1202 |
+
x0[np.arange(n_ub, A1.shape[1])[i_free_neg]] = -x0[i_free[i_free_neg]]
|
| 1203 |
+
x0[i_free[i_free_neg]] = 0
|
| 1204 |
+
|
| 1205 |
+
# add slack variables
|
| 1206 |
+
A2 = vstack([eye(A_ub.shape[0]), zeros((A_eq.shape[0], A_ub.shape[0]))])
|
| 1207 |
+
|
| 1208 |
+
A = hstack([A1, A2])
|
| 1209 |
+
|
| 1210 |
+
# lower bound: substitute xi = xi' + lb
|
| 1211 |
+
# now there is a constant term in objective
|
| 1212 |
+
i_shift = np.nonzero(lb_some)[0]
|
| 1213 |
+
lb_shift = lbs[lb_some].astype(float)
|
| 1214 |
+
c0 += np.sum(lb_shift * c[i_shift])
|
| 1215 |
+
if sparse:
|
| 1216 |
+
b = b.reshape(-1, 1)
|
| 1217 |
+
A = A.tocsc()
|
| 1218 |
+
b -= (A[:, i_shift] * sps.diags(lb_shift)).sum(axis=1)
|
| 1219 |
+
b = b.ravel()
|
| 1220 |
+
else:
|
| 1221 |
+
b -= (A[:, i_shift] * lb_shift).sum(axis=1)
|
| 1222 |
+
if x0 is not None:
|
| 1223 |
+
x0[i_shift] -= lb_shift
|
| 1224 |
+
|
| 1225 |
+
return A, b, c, c0, x0
|
| 1226 |
+
|
| 1227 |
+
|
| 1228 |
+
def _round_to_power_of_two(x):
|
| 1229 |
+
"""
|
| 1230 |
+
Round elements of the array to the nearest power of two.
|
| 1231 |
+
"""
|
| 1232 |
+
return 2**np.around(np.log2(x))
|
| 1233 |
+
|
| 1234 |
+
|
| 1235 |
+
def _autoscale(A, b, c, x0):
|
| 1236 |
+
"""
|
| 1237 |
+
Scales the problem according to equilibration from [12].
|
| 1238 |
+
Also normalizes the right hand side vector by its maximum element.
|
| 1239 |
+
"""
|
| 1240 |
+
m, n = A.shape
|
| 1241 |
+
|
| 1242 |
+
C = 1
|
| 1243 |
+
R = 1
|
| 1244 |
+
|
| 1245 |
+
if A.size > 0:
|
| 1246 |
+
|
| 1247 |
+
R = np.max(np.abs(A), axis=1)
|
| 1248 |
+
if sps.issparse(A):
|
| 1249 |
+
R = R.toarray().flatten()
|
| 1250 |
+
R[R == 0] = 1
|
| 1251 |
+
R = 1/_round_to_power_of_two(R)
|
| 1252 |
+
A = sps.diags(R)*A if sps.issparse(A) else A*R.reshape(m, 1)
|
| 1253 |
+
b = b*R
|
| 1254 |
+
|
| 1255 |
+
C = np.max(np.abs(A), axis=0)
|
| 1256 |
+
if sps.issparse(A):
|
| 1257 |
+
C = C.toarray().flatten()
|
| 1258 |
+
C[C == 0] = 1
|
| 1259 |
+
C = 1/_round_to_power_of_two(C)
|
| 1260 |
+
A = A*sps.diags(C) if sps.issparse(A) else A*C
|
| 1261 |
+
c = c*C
|
| 1262 |
+
|
| 1263 |
+
b_scale = np.max(np.abs(b)) if b.size > 0 else 1
|
| 1264 |
+
if b_scale == 0:
|
| 1265 |
+
b_scale = 1.
|
| 1266 |
+
b = b/b_scale
|
| 1267 |
+
|
| 1268 |
+
if x0 is not None:
|
| 1269 |
+
x0 = x0/b_scale*(1/C)
|
| 1270 |
+
return A, b, c, x0, C, b_scale
|
| 1271 |
+
|
| 1272 |
+
|
| 1273 |
+
def _unscale(x, C, b_scale):
|
| 1274 |
+
"""
|
| 1275 |
+
Converts solution to _autoscale problem -> solution to original problem.
|
| 1276 |
+
"""
|
| 1277 |
+
|
| 1278 |
+
try:
|
| 1279 |
+
n = len(C)
|
| 1280 |
+
# fails if sparse or scalar; that's OK.
|
| 1281 |
+
# this is only needed for original simplex (never sparse)
|
| 1282 |
+
except TypeError:
|
| 1283 |
+
n = len(x)
|
| 1284 |
+
|
| 1285 |
+
return x[:n]*b_scale*C
|
| 1286 |
+
|
| 1287 |
+
|
| 1288 |
+
def _display_summary(message, status, fun, iteration):
|
| 1289 |
+
"""
|
| 1290 |
+
Print the termination summary of the linear program
|
| 1291 |
+
|
| 1292 |
+
Parameters
|
| 1293 |
+
----------
|
| 1294 |
+
message : str
|
| 1295 |
+
A string descriptor of the exit status of the optimization.
|
| 1296 |
+
status : int
|
| 1297 |
+
An integer representing the exit status of the optimization::
|
| 1298 |
+
|
| 1299 |
+
0 : Optimization terminated successfully
|
| 1300 |
+
1 : Iteration limit reached
|
| 1301 |
+
2 : Problem appears to be infeasible
|
| 1302 |
+
3 : Problem appears to be unbounded
|
| 1303 |
+
4 : Serious numerical difficulties encountered
|
| 1304 |
+
|
| 1305 |
+
fun : float
|
| 1306 |
+
Value of the objective function.
|
| 1307 |
+
iteration : iteration
|
| 1308 |
+
The number of iterations performed.
|
| 1309 |
+
"""
|
| 1310 |
+
print(message)
|
| 1311 |
+
if status in (0, 1):
|
| 1312 |
+
print(f" Current function value: {fun: <12.6f}")
|
| 1313 |
+
print(f" Iterations: {iteration:d}")
|
| 1314 |
+
|
| 1315 |
+
|
| 1316 |
+
def _postsolve(x, postsolve_args, complete=False):
|
| 1317 |
+
"""
|
| 1318 |
+
Given solution x to presolved, standard form linear program x, add
|
| 1319 |
+
fixed variables back into the problem and undo the variable substitutions
|
| 1320 |
+
to get solution to original linear program. Also, calculate the objective
|
| 1321 |
+
function value, slack in original upper bound constraints, and residuals
|
| 1322 |
+
in original equality constraints.
|
| 1323 |
+
|
| 1324 |
+
Parameters
|
| 1325 |
+
----------
|
| 1326 |
+
x : 1-D array
|
| 1327 |
+
Solution vector to the standard-form problem.
|
| 1328 |
+
postsolve_args : tuple
|
| 1329 |
+
Data needed by _postsolve to convert the solution to the standard-form
|
| 1330 |
+
problem into the solution to the original problem, including:
|
| 1331 |
+
|
| 1332 |
+
lp : A `scipy.optimize._linprog_util._LPProblem` consisting of the following fields:
|
| 1333 |
+
|
| 1334 |
+
c : 1D array
|
| 1335 |
+
The coefficients of the linear objective function to be minimized.
|
| 1336 |
+
A_ub : 2D array, optional
|
| 1337 |
+
The inequality constraint matrix. Each row of ``A_ub`` specifies the
|
| 1338 |
+
coefficients of a linear inequality constraint on ``x``.
|
| 1339 |
+
b_ub : 1D array, optional
|
| 1340 |
+
The inequality constraint vector. Each element represents an
|
| 1341 |
+
upper bound on the corresponding value of ``A_ub @ x``.
|
| 1342 |
+
A_eq : 2D array, optional
|
| 1343 |
+
The equality constraint matrix. Each row of ``A_eq`` specifies the
|
| 1344 |
+
coefficients of a linear equality constraint on ``x``.
|
| 1345 |
+
b_eq : 1D array, optional
|
| 1346 |
+
The equality constraint vector. Each element of ``A_eq @ x`` must equal
|
| 1347 |
+
the corresponding element of ``b_eq``.
|
| 1348 |
+
bounds : 2D array
|
| 1349 |
+
The bounds of ``x``, lower bounds in the 1st column, upper
|
| 1350 |
+
bounds in the 2nd column. The bounds are possibly tightened
|
| 1351 |
+
by the presolve procedure.
|
| 1352 |
+
x0 : 1D array, optional
|
| 1353 |
+
Guess values of the decision variables, which will be refined by
|
| 1354 |
+
the optimization algorithm. This argument is currently used only by the
|
| 1355 |
+
'revised simplex' method, and can only be used if `x0` represents a
|
| 1356 |
+
basic feasible solution.
|
| 1357 |
+
|
| 1358 |
+
revstack: list of functions
|
| 1359 |
+
the functions in the list reverse the operations of _presolve()
|
| 1360 |
+
the function signature is x_org = f(x_mod), where x_mod is the result
|
| 1361 |
+
of a presolve step and x_org the value at the start of the step
|
| 1362 |
+
complete : bool
|
| 1363 |
+
Whether the solution is was determined in presolve (``True`` if so)
|
| 1364 |
+
|
| 1365 |
+
Returns
|
| 1366 |
+
-------
|
| 1367 |
+
x : 1-D array
|
| 1368 |
+
Solution vector to original linear programming problem
|
| 1369 |
+
fun: float
|
| 1370 |
+
optimal objective value for original problem
|
| 1371 |
+
slack : 1-D array
|
| 1372 |
+
The (non-negative) slack in the upper bound constraints, that is,
|
| 1373 |
+
``b_ub - A_ub @ x``
|
| 1374 |
+
con : 1-D array
|
| 1375 |
+
The (nominally zero) residuals of the equality constraints, that is,
|
| 1376 |
+
``b - A_eq @ x``
|
| 1377 |
+
"""
|
| 1378 |
+
# note that all the inputs are the ORIGINAL, unmodified versions
|
| 1379 |
+
# no rows, columns have been removed
|
| 1380 |
+
|
| 1381 |
+
c, A_ub, b_ub, A_eq, b_eq, bounds, x0, integrality = postsolve_args[0]
|
| 1382 |
+
revstack, C, b_scale = postsolve_args[1:]
|
| 1383 |
+
|
| 1384 |
+
x = _unscale(x, C, b_scale)
|
| 1385 |
+
|
| 1386 |
+
# Undo variable substitutions of _get_Abc()
|
| 1387 |
+
# if "complete", problem was solved in presolve; don't do anything here
|
| 1388 |
+
n_x = bounds.shape[0]
|
| 1389 |
+
if not complete and bounds is not None: # bounds are never none, probably
|
| 1390 |
+
n_unbounded = 0
|
| 1391 |
+
for i, bi in enumerate(bounds):
|
| 1392 |
+
lbi = bi[0]
|
| 1393 |
+
ubi = bi[1]
|
| 1394 |
+
if lbi == -np.inf and ubi == np.inf:
|
| 1395 |
+
n_unbounded += 1
|
| 1396 |
+
x[i] = x[i] - x[n_x + n_unbounded - 1]
|
| 1397 |
+
else:
|
| 1398 |
+
if lbi == -np.inf:
|
| 1399 |
+
x[i] = ubi - x[i]
|
| 1400 |
+
else:
|
| 1401 |
+
x[i] += lbi
|
| 1402 |
+
# all the rest of the variables were artificial
|
| 1403 |
+
x = x[:n_x]
|
| 1404 |
+
|
| 1405 |
+
# If there were variables removed from the problem, add them back into the
|
| 1406 |
+
# solution vector
|
| 1407 |
+
# Apply the functions in revstack (reverse direction)
|
| 1408 |
+
for rev in reversed(revstack):
|
| 1409 |
+
x = rev(x)
|
| 1410 |
+
|
| 1411 |
+
fun = x.dot(c)
|
| 1412 |
+
slack = b_ub - A_ub.dot(x) # report slack for ORIGINAL UB constraints
|
| 1413 |
+
# report residuals of ORIGINAL EQ constraints
|
| 1414 |
+
con = b_eq - A_eq.dot(x)
|
| 1415 |
+
|
| 1416 |
+
return x, fun, slack, con
|
| 1417 |
+
|
| 1418 |
+
|
| 1419 |
+
def _check_result(x, fun, status, slack, con, bounds, tol, message,
|
| 1420 |
+
integrality):
|
| 1421 |
+
"""
|
| 1422 |
+
Check the validity of the provided solution.
|
| 1423 |
+
|
| 1424 |
+
A valid (optimal) solution satisfies all bounds, all slack variables are
|
| 1425 |
+
negative and all equality constraint residuals are strictly non-zero.
|
| 1426 |
+
Further, the lower-bounds, upper-bounds, slack and residuals contain
|
| 1427 |
+
no nan values.
|
| 1428 |
+
|
| 1429 |
+
Parameters
|
| 1430 |
+
----------
|
| 1431 |
+
x : 1-D array
|
| 1432 |
+
Solution vector to original linear programming problem
|
| 1433 |
+
fun: float
|
| 1434 |
+
optimal objective value for original problem
|
| 1435 |
+
status : int
|
| 1436 |
+
An integer representing the exit status of the optimization::
|
| 1437 |
+
|
| 1438 |
+
0 : Optimization terminated successfully
|
| 1439 |
+
1 : Iteration limit reached
|
| 1440 |
+
2 : Problem appears to be infeasible
|
| 1441 |
+
3 : Problem appears to be unbounded
|
| 1442 |
+
4 : Serious numerical difficulties encountered
|
| 1443 |
+
|
| 1444 |
+
slack : 1-D array
|
| 1445 |
+
The (non-negative) slack in the upper bound constraints, that is,
|
| 1446 |
+
``b_ub - A_ub @ x``
|
| 1447 |
+
con : 1-D array
|
| 1448 |
+
The (nominally zero) residuals of the equality constraints, that is,
|
| 1449 |
+
``b - A_eq @ x``
|
| 1450 |
+
bounds : 2D array
|
| 1451 |
+
The bounds on the original variables ``x``
|
| 1452 |
+
message : str
|
| 1453 |
+
A string descriptor of the exit status of the optimization.
|
| 1454 |
+
tol : float
|
| 1455 |
+
Termination tolerance; see [1]_ Section 4.5.
|
| 1456 |
+
|
| 1457 |
+
Returns
|
| 1458 |
+
-------
|
| 1459 |
+
status : int
|
| 1460 |
+
An integer representing the exit status of the optimization::
|
| 1461 |
+
|
| 1462 |
+
0 : Optimization terminated successfully
|
| 1463 |
+
1 : Iteration limit reached
|
| 1464 |
+
2 : Problem appears to be infeasible
|
| 1465 |
+
3 : Problem appears to be unbounded
|
| 1466 |
+
4 : Serious numerical difficulties encountered
|
| 1467 |
+
|
| 1468 |
+
message : str
|
| 1469 |
+
A string descriptor of the exit status of the optimization.
|
| 1470 |
+
"""
|
| 1471 |
+
# Somewhat arbitrary
|
| 1472 |
+
tol = np.sqrt(tol) * 10
|
| 1473 |
+
|
| 1474 |
+
if x is None:
|
| 1475 |
+
# HiGHS does not provide x if infeasible/unbounded
|
| 1476 |
+
if status == 0: # Observed with HiGHS Simplex Primal
|
| 1477 |
+
status = 4
|
| 1478 |
+
message = ("The solver did not provide a solution nor did it "
|
| 1479 |
+
"report a failure. Please submit a bug report.")
|
| 1480 |
+
return status, message
|
| 1481 |
+
|
| 1482 |
+
contains_nans = (
|
| 1483 |
+
np.isnan(x).any()
|
| 1484 |
+
or np.isnan(fun)
|
| 1485 |
+
or np.isnan(slack).any()
|
| 1486 |
+
or np.isnan(con).any()
|
| 1487 |
+
)
|
| 1488 |
+
|
| 1489 |
+
if contains_nans:
|
| 1490 |
+
is_feasible = False
|
| 1491 |
+
else:
|
| 1492 |
+
if integrality is None:
|
| 1493 |
+
integrality = 0
|
| 1494 |
+
valid_bounds = (x >= bounds[:, 0] - tol) & (x <= bounds[:, 1] + tol)
|
| 1495 |
+
# When integrality is 2 or 3, x must be within bounds OR take value 0
|
| 1496 |
+
valid_bounds |= (integrality > 1) & np.isclose(x, 0, atol=tol)
|
| 1497 |
+
invalid_bounds = not np.all(valid_bounds)
|
| 1498 |
+
|
| 1499 |
+
invalid_slack = status != 3 and (slack < -tol).any()
|
| 1500 |
+
invalid_con = status != 3 and (np.abs(con) > tol).any()
|
| 1501 |
+
is_feasible = not (invalid_bounds or invalid_slack or invalid_con)
|
| 1502 |
+
|
| 1503 |
+
if status == 0 and not is_feasible:
|
| 1504 |
+
status = 4
|
| 1505 |
+
message = ("The solution does not satisfy the constraints within the "
|
| 1506 |
+
"required tolerance of " + f"{tol:.2E}" + ", yet "
|
| 1507 |
+
"no errors were raised and there is no certificate of "
|
| 1508 |
+
"infeasibility or unboundedness. Check whether "
|
| 1509 |
+
"the slack and constraint residuals are acceptable; "
|
| 1510 |
+
"if not, consider enabling presolve, adjusting the "
|
| 1511 |
+
"tolerance option(s), and/or using a different method. "
|
| 1512 |
+
"Please consider submitting a bug report.")
|
| 1513 |
+
elif status == 2 and is_feasible:
|
| 1514 |
+
# Occurs if the simplex method exits after phase one with a very
|
| 1515 |
+
# nearly basic feasible solution. Postsolving can make the solution
|
| 1516 |
+
# basic, however, this solution is NOT optimal
|
| 1517 |
+
status = 4
|
| 1518 |
+
message = ("The solution is feasible, but the solver did not report "
|
| 1519 |
+
"that the solution was optimal. Please try a different "
|
| 1520 |
+
"method.")
|
| 1521 |
+
|
| 1522 |
+
return status, message
|
vila/lib/python3.10/site-packages/scipy/optimize/_lsap.cpython-310-x86_64-linux-gnu.so
ADDED
|
Binary file (27.1 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_milp.py
ADDED
|
@@ -0,0 +1,392 @@
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|
|
|
|
|
|
|
| 1 |
+
import warnings
|
| 2 |
+
import numpy as np
|
| 3 |
+
from scipy.sparse import csc_array, vstack, issparse
|
| 4 |
+
from scipy._lib._util import VisibleDeprecationWarning
|
| 5 |
+
from ._highs._highs_wrapper import _highs_wrapper # type: ignore[import-not-found,import-untyped]
|
| 6 |
+
from ._constraints import LinearConstraint, Bounds
|
| 7 |
+
from ._optimize import OptimizeResult
|
| 8 |
+
from ._linprog_highs import _highs_to_scipy_status_message
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
def _constraints_to_components(constraints):
|
| 12 |
+
"""
|
| 13 |
+
Convert sequence of constraints to a single set of components A, b_l, b_u.
|
| 14 |
+
|
| 15 |
+
`constraints` could be
|
| 16 |
+
|
| 17 |
+
1. A LinearConstraint
|
| 18 |
+
2. A tuple representing a LinearConstraint
|
| 19 |
+
3. An invalid object
|
| 20 |
+
4. A sequence of composed entirely of objects of type 1/2
|
| 21 |
+
5. A sequence containing at least one object of type 3
|
| 22 |
+
|
| 23 |
+
We want to accept 1, 2, and 4 and reject 3 and 5.
|
| 24 |
+
"""
|
| 25 |
+
message = ("`constraints` (or each element within `constraints`) must be "
|
| 26 |
+
"convertible into an instance of "
|
| 27 |
+
"`scipy.optimize.LinearConstraint`.")
|
| 28 |
+
As = []
|
| 29 |
+
b_ls = []
|
| 30 |
+
b_us = []
|
| 31 |
+
|
| 32 |
+
# Accept case 1 by standardizing as case 4
|
| 33 |
+
if isinstance(constraints, LinearConstraint):
|
| 34 |
+
constraints = [constraints]
|
| 35 |
+
else:
|
| 36 |
+
# Reject case 3
|
| 37 |
+
try:
|
| 38 |
+
iter(constraints)
|
| 39 |
+
except TypeError as exc:
|
| 40 |
+
raise ValueError(message) from exc
|
| 41 |
+
|
| 42 |
+
# Accept case 2 by standardizing as case 4
|
| 43 |
+
if len(constraints) == 3:
|
| 44 |
+
# argument could be a single tuple representing a LinearConstraint
|
| 45 |
+
try:
|
| 46 |
+
constraints = [LinearConstraint(*constraints)]
|
| 47 |
+
except (TypeError, ValueError, VisibleDeprecationWarning):
|
| 48 |
+
# argument was not a tuple representing a LinearConstraint
|
| 49 |
+
pass
|
| 50 |
+
|
| 51 |
+
# Address cases 4/5
|
| 52 |
+
for constraint in constraints:
|
| 53 |
+
# if it's not a LinearConstraint or something that represents a
|
| 54 |
+
# LinearConstraint at this point, it's invalid
|
| 55 |
+
if not isinstance(constraint, LinearConstraint):
|
| 56 |
+
try:
|
| 57 |
+
constraint = LinearConstraint(*constraint)
|
| 58 |
+
except TypeError as exc:
|
| 59 |
+
raise ValueError(message) from exc
|
| 60 |
+
As.append(csc_array(constraint.A))
|
| 61 |
+
b_ls.append(np.atleast_1d(constraint.lb).astype(np.float64))
|
| 62 |
+
b_us.append(np.atleast_1d(constraint.ub).astype(np.float64))
|
| 63 |
+
|
| 64 |
+
if len(As) > 1:
|
| 65 |
+
A = vstack(As, format="csc")
|
| 66 |
+
b_l = np.concatenate(b_ls)
|
| 67 |
+
b_u = np.concatenate(b_us)
|
| 68 |
+
else: # avoid unnecessary copying
|
| 69 |
+
A = As[0]
|
| 70 |
+
b_l = b_ls[0]
|
| 71 |
+
b_u = b_us[0]
|
| 72 |
+
|
| 73 |
+
return A, b_l, b_u
|
| 74 |
+
|
| 75 |
+
|
| 76 |
+
def _milp_iv(c, integrality, bounds, constraints, options):
|
| 77 |
+
# objective IV
|
| 78 |
+
if issparse(c):
|
| 79 |
+
raise ValueError("`c` must be a dense array.")
|
| 80 |
+
c = np.atleast_1d(c).astype(np.float64)
|
| 81 |
+
if c.ndim != 1 or c.size == 0 or not np.all(np.isfinite(c)):
|
| 82 |
+
message = ("`c` must be a one-dimensional array of finite numbers "
|
| 83 |
+
"with at least one element.")
|
| 84 |
+
raise ValueError(message)
|
| 85 |
+
|
| 86 |
+
# integrality IV
|
| 87 |
+
if issparse(integrality):
|
| 88 |
+
raise ValueError("`integrality` must be a dense array.")
|
| 89 |
+
message = ("`integrality` must contain integers 0-3 and be broadcastable "
|
| 90 |
+
"to `c.shape`.")
|
| 91 |
+
if integrality is None:
|
| 92 |
+
integrality = 0
|
| 93 |
+
try:
|
| 94 |
+
integrality = np.broadcast_to(integrality, c.shape).astype(np.uint8)
|
| 95 |
+
except ValueError:
|
| 96 |
+
raise ValueError(message)
|
| 97 |
+
if integrality.min() < 0 or integrality.max() > 3:
|
| 98 |
+
raise ValueError(message)
|
| 99 |
+
|
| 100 |
+
# bounds IV
|
| 101 |
+
if bounds is None:
|
| 102 |
+
bounds = Bounds(0, np.inf)
|
| 103 |
+
elif not isinstance(bounds, Bounds):
|
| 104 |
+
message = ("`bounds` must be convertible into an instance of "
|
| 105 |
+
"`scipy.optimize.Bounds`.")
|
| 106 |
+
try:
|
| 107 |
+
bounds = Bounds(*bounds)
|
| 108 |
+
except TypeError as exc:
|
| 109 |
+
raise ValueError(message) from exc
|
| 110 |
+
|
| 111 |
+
try:
|
| 112 |
+
lb = np.broadcast_to(bounds.lb, c.shape).astype(np.float64)
|
| 113 |
+
ub = np.broadcast_to(bounds.ub, c.shape).astype(np.float64)
|
| 114 |
+
except (ValueError, TypeError) as exc:
|
| 115 |
+
message = ("`bounds.lb` and `bounds.ub` must contain reals and "
|
| 116 |
+
"be broadcastable to `c.shape`.")
|
| 117 |
+
raise ValueError(message) from exc
|
| 118 |
+
|
| 119 |
+
# constraints IV
|
| 120 |
+
if not constraints:
|
| 121 |
+
constraints = [LinearConstraint(np.empty((0, c.size)),
|
| 122 |
+
np.empty((0,)), np.empty((0,)))]
|
| 123 |
+
try:
|
| 124 |
+
A, b_l, b_u = _constraints_to_components(constraints)
|
| 125 |
+
except ValueError as exc:
|
| 126 |
+
message = ("`constraints` (or each element within `constraints`) must "
|
| 127 |
+
"be convertible into an instance of "
|
| 128 |
+
"`scipy.optimize.LinearConstraint`.")
|
| 129 |
+
raise ValueError(message) from exc
|
| 130 |
+
|
| 131 |
+
if A.shape != (b_l.size, c.size):
|
| 132 |
+
message = "The shape of `A` must be (len(b_l), len(c))."
|
| 133 |
+
raise ValueError(message)
|
| 134 |
+
indptr, indices, data = A.indptr, A.indices, A.data.astype(np.float64)
|
| 135 |
+
|
| 136 |
+
# options IV
|
| 137 |
+
options = options or {}
|
| 138 |
+
supported_options = {'disp', 'presolve', 'time_limit', 'node_limit',
|
| 139 |
+
'mip_rel_gap'}
|
| 140 |
+
unsupported_options = set(options).difference(supported_options)
|
| 141 |
+
if unsupported_options:
|
| 142 |
+
message = (f"Unrecognized options detected: {unsupported_options}. "
|
| 143 |
+
"These will be passed to HiGHS verbatim.")
|
| 144 |
+
warnings.warn(message, RuntimeWarning, stacklevel=3)
|
| 145 |
+
options_iv = {'log_to_console': options.pop("disp", False),
|
| 146 |
+
'mip_max_nodes': options.pop("node_limit", None)}
|
| 147 |
+
options_iv.update(options)
|
| 148 |
+
|
| 149 |
+
return c, integrality, lb, ub, indptr, indices, data, b_l, b_u, options_iv
|
| 150 |
+
|
| 151 |
+
|
| 152 |
+
def milp(c, *, integrality=None, bounds=None, constraints=None, options=None):
|
| 153 |
+
r"""
|
| 154 |
+
Mixed-integer linear programming
|
| 155 |
+
|
| 156 |
+
Solves problems of the following form:
|
| 157 |
+
|
| 158 |
+
.. math::
|
| 159 |
+
|
| 160 |
+
\min_x \ & c^T x \\
|
| 161 |
+
\mbox{such that} \ & b_l \leq A x \leq b_u,\\
|
| 162 |
+
& l \leq x \leq u, \\
|
| 163 |
+
& x_i \in \mathbb{Z}, i \in X_i
|
| 164 |
+
|
| 165 |
+
where :math:`x` is a vector of decision variables;
|
| 166 |
+
:math:`c`, :math:`b_l`, :math:`b_u`, :math:`l`, and :math:`u` are vectors;
|
| 167 |
+
:math:`A` is a matrix, and :math:`X_i` is the set of indices of
|
| 168 |
+
decision variables that must be integral. (In this context, a
|
| 169 |
+
variable that can assume only integer values is said to be "integral";
|
| 170 |
+
it has an "integrality" constraint.)
|
| 171 |
+
|
| 172 |
+
Alternatively, that's:
|
| 173 |
+
|
| 174 |
+
minimize::
|
| 175 |
+
|
| 176 |
+
c @ x
|
| 177 |
+
|
| 178 |
+
such that::
|
| 179 |
+
|
| 180 |
+
b_l <= A @ x <= b_u
|
| 181 |
+
l <= x <= u
|
| 182 |
+
Specified elements of x must be integers
|
| 183 |
+
|
| 184 |
+
By default, ``l = 0`` and ``u = np.inf`` unless specified with
|
| 185 |
+
``bounds``.
|
| 186 |
+
|
| 187 |
+
Parameters
|
| 188 |
+
----------
|
| 189 |
+
c : 1D dense array_like
|
| 190 |
+
The coefficients of the linear objective function to be minimized.
|
| 191 |
+
`c` is converted to a double precision array before the problem is
|
| 192 |
+
solved.
|
| 193 |
+
integrality : 1D dense array_like, optional
|
| 194 |
+
Indicates the type of integrality constraint on each decision variable.
|
| 195 |
+
|
| 196 |
+
``0`` : Continuous variable; no integrality constraint.
|
| 197 |
+
|
| 198 |
+
``1`` : Integer variable; decision variable must be an integer
|
| 199 |
+
within `bounds`.
|
| 200 |
+
|
| 201 |
+
``2`` : Semi-continuous variable; decision variable must be within
|
| 202 |
+
`bounds` or take value ``0``.
|
| 203 |
+
|
| 204 |
+
``3`` : Semi-integer variable; decision variable must be an integer
|
| 205 |
+
within `bounds` or take value ``0``.
|
| 206 |
+
|
| 207 |
+
By default, all variables are continuous. `integrality` is converted
|
| 208 |
+
to an array of integers before the problem is solved.
|
| 209 |
+
|
| 210 |
+
bounds : scipy.optimize.Bounds, optional
|
| 211 |
+
Bounds on the decision variables. Lower and upper bounds are converted
|
| 212 |
+
to double precision arrays before the problem is solved. The
|
| 213 |
+
``keep_feasible`` parameter of the `Bounds` object is ignored. If
|
| 214 |
+
not specified, all decision variables are constrained to be
|
| 215 |
+
non-negative.
|
| 216 |
+
constraints : sequence of scipy.optimize.LinearConstraint, optional
|
| 217 |
+
Linear constraints of the optimization problem. Arguments may be
|
| 218 |
+
one of the following:
|
| 219 |
+
|
| 220 |
+
1. A single `LinearConstraint` object
|
| 221 |
+
2. A single tuple that can be converted to a `LinearConstraint` object
|
| 222 |
+
as ``LinearConstraint(*constraints)``
|
| 223 |
+
3. A sequence composed entirely of objects of type 1. and 2.
|
| 224 |
+
|
| 225 |
+
Before the problem is solved, all values are converted to double
|
| 226 |
+
precision, and the matrices of constraint coefficients are converted to
|
| 227 |
+
instances of `scipy.sparse.csc_array`. The ``keep_feasible`` parameter
|
| 228 |
+
of `LinearConstraint` objects is ignored.
|
| 229 |
+
options : dict, optional
|
| 230 |
+
A dictionary of solver options. The following keys are recognized.
|
| 231 |
+
|
| 232 |
+
disp : bool (default: ``False``)
|
| 233 |
+
Set to ``True`` if indicators of optimization status are to be
|
| 234 |
+
printed to the console during optimization.
|
| 235 |
+
node_limit : int, optional
|
| 236 |
+
The maximum number of nodes (linear program relaxations) to solve
|
| 237 |
+
before stopping. Default is no maximum number of nodes.
|
| 238 |
+
presolve : bool (default: ``True``)
|
| 239 |
+
Presolve attempts to identify trivial infeasibilities,
|
| 240 |
+
identify trivial unboundedness, and simplify the problem before
|
| 241 |
+
sending it to the main solver.
|
| 242 |
+
time_limit : float, optional
|
| 243 |
+
The maximum number of seconds allotted to solve the problem.
|
| 244 |
+
Default is no time limit.
|
| 245 |
+
mip_rel_gap : float, optional
|
| 246 |
+
Termination criterion for MIP solver: solver will terminate when
|
| 247 |
+
the gap between the primal objective value and the dual objective
|
| 248 |
+
bound, scaled by the primal objective value, is <= mip_rel_gap.
|
| 249 |
+
|
| 250 |
+
Returns
|
| 251 |
+
-------
|
| 252 |
+
res : OptimizeResult
|
| 253 |
+
An instance of :class:`scipy.optimize.OptimizeResult`. The object
|
| 254 |
+
is guaranteed to have the following attributes.
|
| 255 |
+
|
| 256 |
+
status : int
|
| 257 |
+
An integer representing the exit status of the algorithm.
|
| 258 |
+
|
| 259 |
+
``0`` : Optimal solution found.
|
| 260 |
+
|
| 261 |
+
``1`` : Iteration or time limit reached.
|
| 262 |
+
|
| 263 |
+
``2`` : Problem is infeasible.
|
| 264 |
+
|
| 265 |
+
``3`` : Problem is unbounded.
|
| 266 |
+
|
| 267 |
+
``4`` : Other; see message for details.
|
| 268 |
+
|
| 269 |
+
success : bool
|
| 270 |
+
``True`` when an optimal solution is found and ``False`` otherwise.
|
| 271 |
+
|
| 272 |
+
message : str
|
| 273 |
+
A string descriptor of the exit status of the algorithm.
|
| 274 |
+
|
| 275 |
+
The following attributes will also be present, but the values may be
|
| 276 |
+
``None``, depending on the solution status.
|
| 277 |
+
|
| 278 |
+
x : ndarray
|
| 279 |
+
The values of the decision variables that minimize the
|
| 280 |
+
objective function while satisfying the constraints.
|
| 281 |
+
fun : float
|
| 282 |
+
The optimal value of the objective function ``c @ x``.
|
| 283 |
+
mip_node_count : int
|
| 284 |
+
The number of subproblems or "nodes" solved by the MILP solver.
|
| 285 |
+
mip_dual_bound : float
|
| 286 |
+
The MILP solver's final estimate of the lower bound on the optimal
|
| 287 |
+
solution.
|
| 288 |
+
mip_gap : float
|
| 289 |
+
The difference between the primal objective value and the dual
|
| 290 |
+
objective bound, scaled by the primal objective value.
|
| 291 |
+
|
| 292 |
+
Notes
|
| 293 |
+
-----
|
| 294 |
+
`milp` is a wrapper of the HiGHS linear optimization software [1]_. The
|
| 295 |
+
algorithm is deterministic, and it typically finds the global optimum of
|
| 296 |
+
moderately challenging mixed-integer linear programs (when it exists).
|
| 297 |
+
|
| 298 |
+
References
|
| 299 |
+
----------
|
| 300 |
+
.. [1] Huangfu, Q., Galabova, I., Feldmeier, M., and Hall, J. A. J.
|
| 301 |
+
"HiGHS - high performance software for linear optimization."
|
| 302 |
+
https://highs.dev/
|
| 303 |
+
.. [2] Huangfu, Q. and Hall, J. A. J. "Parallelizing the dual revised
|
| 304 |
+
simplex method." Mathematical Programming Computation, 10 (1),
|
| 305 |
+
119-142, 2018. DOI: 10.1007/s12532-017-0130-5
|
| 306 |
+
|
| 307 |
+
Examples
|
| 308 |
+
--------
|
| 309 |
+
Consider the problem at
|
| 310 |
+
https://en.wikipedia.org/wiki/Integer_programming#Example, which is
|
| 311 |
+
expressed as a maximization problem of two variables. Since `milp` requires
|
| 312 |
+
that the problem be expressed as a minimization problem, the objective
|
| 313 |
+
function coefficients on the decision variables are:
|
| 314 |
+
|
| 315 |
+
>>> import numpy as np
|
| 316 |
+
>>> c = -np.array([0, 1])
|
| 317 |
+
|
| 318 |
+
Note the negative sign: we maximize the original objective function
|
| 319 |
+
by minimizing the negative of the objective function.
|
| 320 |
+
|
| 321 |
+
We collect the coefficients of the constraints into arrays like:
|
| 322 |
+
|
| 323 |
+
>>> A = np.array([[-1, 1], [3, 2], [2, 3]])
|
| 324 |
+
>>> b_u = np.array([1, 12, 12])
|
| 325 |
+
>>> b_l = np.full_like(b_u, -np.inf, dtype=float)
|
| 326 |
+
|
| 327 |
+
Because there is no lower limit on these constraints, we have defined a
|
| 328 |
+
variable ``b_l`` full of values representing negative infinity. This may
|
| 329 |
+
be unfamiliar to users of `scipy.optimize.linprog`, which only accepts
|
| 330 |
+
"less than" (or "upper bound") inequality constraints of the form
|
| 331 |
+
``A_ub @ x <= b_u``. By accepting both ``b_l`` and ``b_u`` of constraints
|
| 332 |
+
``b_l <= A_ub @ x <= b_u``, `milp` makes it easy to specify "greater than"
|
| 333 |
+
inequality constraints, "less than" inequality constraints, and equality
|
| 334 |
+
constraints concisely.
|
| 335 |
+
|
| 336 |
+
These arrays are collected into a single `LinearConstraint` object like:
|
| 337 |
+
|
| 338 |
+
>>> from scipy.optimize import LinearConstraint
|
| 339 |
+
>>> constraints = LinearConstraint(A, b_l, b_u)
|
| 340 |
+
|
| 341 |
+
The non-negativity bounds on the decision variables are enforced by
|
| 342 |
+
default, so we do not need to provide an argument for `bounds`.
|
| 343 |
+
|
| 344 |
+
Finally, the problem states that both decision variables must be integers:
|
| 345 |
+
|
| 346 |
+
>>> integrality = np.ones_like(c)
|
| 347 |
+
|
| 348 |
+
We solve the problem like:
|
| 349 |
+
|
| 350 |
+
>>> from scipy.optimize import milp
|
| 351 |
+
>>> res = milp(c=c, constraints=constraints, integrality=integrality)
|
| 352 |
+
>>> res.x
|
| 353 |
+
[2.0, 2.0]
|
| 354 |
+
|
| 355 |
+
Note that had we solved the relaxed problem (without integrality
|
| 356 |
+
constraints):
|
| 357 |
+
|
| 358 |
+
>>> res = milp(c=c, constraints=constraints) # OR:
|
| 359 |
+
>>> # from scipy.optimize import linprog; res = linprog(c, A, b_u)
|
| 360 |
+
>>> res.x
|
| 361 |
+
[1.8, 2.8]
|
| 362 |
+
|
| 363 |
+
we would not have obtained the correct solution by rounding to the nearest
|
| 364 |
+
integers.
|
| 365 |
+
|
| 366 |
+
Other examples are given :ref:`in the tutorial <tutorial-optimize_milp>`.
|
| 367 |
+
|
| 368 |
+
"""
|
| 369 |
+
args_iv = _milp_iv(c, integrality, bounds, constraints, options)
|
| 370 |
+
c, integrality, lb, ub, indptr, indices, data, b_l, b_u, options = args_iv
|
| 371 |
+
|
| 372 |
+
highs_res = _highs_wrapper(c, indptr, indices, data, b_l, b_u,
|
| 373 |
+
lb, ub, integrality, options)
|
| 374 |
+
|
| 375 |
+
res = {}
|
| 376 |
+
|
| 377 |
+
# Convert to scipy-style status and message
|
| 378 |
+
highs_status = highs_res.get('status', None)
|
| 379 |
+
highs_message = highs_res.get('message', None)
|
| 380 |
+
status, message = _highs_to_scipy_status_message(highs_status,
|
| 381 |
+
highs_message)
|
| 382 |
+
res['status'] = status
|
| 383 |
+
res['message'] = message
|
| 384 |
+
res['success'] = (status == 0)
|
| 385 |
+
x = highs_res.get('x', None)
|
| 386 |
+
res['x'] = np.array(x) if x is not None else None
|
| 387 |
+
res['fun'] = highs_res.get('fun', None)
|
| 388 |
+
res['mip_node_count'] = highs_res.get('mip_node_count', None)
|
| 389 |
+
res['mip_dual_bound'] = highs_res.get('mip_dual_bound', None)
|
| 390 |
+
res['mip_gap'] = highs_res.get('mip_gap', None)
|
| 391 |
+
|
| 392 |
+
return OptimizeResult(res)
|
vila/lib/python3.10/site-packages/scipy/optimize/_minpack_py.py
ADDED
|
@@ -0,0 +1,1164 @@
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|
| 1 |
+
import warnings
|
| 2 |
+
from . import _minpack
|
| 3 |
+
|
| 4 |
+
import numpy as np
|
| 5 |
+
from numpy import (atleast_1d, triu, shape, transpose, zeros, prod, greater,
|
| 6 |
+
asarray, inf,
|
| 7 |
+
finfo, inexact, issubdtype, dtype)
|
| 8 |
+
from scipy import linalg
|
| 9 |
+
from scipy.linalg import svd, cholesky, solve_triangular, LinAlgError
|
| 10 |
+
from scipy._lib._util import _asarray_validated, _lazywhere, _contains_nan
|
| 11 |
+
from scipy._lib._util import getfullargspec_no_self as _getfullargspec
|
| 12 |
+
from ._optimize import OptimizeResult, _check_unknown_options, OptimizeWarning
|
| 13 |
+
from ._lsq import least_squares
|
| 14 |
+
# from ._lsq.common import make_strictly_feasible
|
| 15 |
+
from ._lsq.least_squares import prepare_bounds
|
| 16 |
+
from scipy.optimize._minimize import Bounds
|
| 17 |
+
|
| 18 |
+
__all__ = ['fsolve', 'leastsq', 'fixed_point', 'curve_fit']
|
| 19 |
+
|
| 20 |
+
|
| 21 |
+
def _check_func(checker, argname, thefunc, x0, args, numinputs,
|
| 22 |
+
output_shape=None):
|
| 23 |
+
res = atleast_1d(thefunc(*((x0[:numinputs],) + args)))
|
| 24 |
+
if (output_shape is not None) and (shape(res) != output_shape):
|
| 25 |
+
if (output_shape[0] != 1):
|
| 26 |
+
if len(output_shape) > 1:
|
| 27 |
+
if output_shape[1] == 1:
|
| 28 |
+
return shape(res)
|
| 29 |
+
msg = f"{checker}: there is a mismatch between the input and output " \
|
| 30 |
+
f"shape of the '{argname}' argument"
|
| 31 |
+
func_name = getattr(thefunc, '__name__', None)
|
| 32 |
+
if func_name:
|
| 33 |
+
msg += " '%s'." % func_name
|
| 34 |
+
else:
|
| 35 |
+
msg += "."
|
| 36 |
+
msg += f'Shape should be {output_shape} but it is {shape(res)}.'
|
| 37 |
+
raise TypeError(msg)
|
| 38 |
+
if issubdtype(res.dtype, inexact):
|
| 39 |
+
dt = res.dtype
|
| 40 |
+
else:
|
| 41 |
+
dt = dtype(float)
|
| 42 |
+
return shape(res), dt
|
| 43 |
+
|
| 44 |
+
|
| 45 |
+
def fsolve(func, x0, args=(), fprime=None, full_output=0,
|
| 46 |
+
col_deriv=0, xtol=1.49012e-8, maxfev=0, band=None,
|
| 47 |
+
epsfcn=None, factor=100, diag=None):
|
| 48 |
+
"""
|
| 49 |
+
Find the roots of a function.
|
| 50 |
+
|
| 51 |
+
Return the roots of the (non-linear) equations defined by
|
| 52 |
+
``func(x) = 0`` given a starting estimate.
|
| 53 |
+
|
| 54 |
+
Parameters
|
| 55 |
+
----------
|
| 56 |
+
func : callable ``f(x, *args)``
|
| 57 |
+
A function that takes at least one (possibly vector) argument,
|
| 58 |
+
and returns a value of the same length.
|
| 59 |
+
x0 : ndarray
|
| 60 |
+
The starting estimate for the roots of ``func(x) = 0``.
|
| 61 |
+
args : tuple, optional
|
| 62 |
+
Any extra arguments to `func`.
|
| 63 |
+
fprime : callable ``f(x, *args)``, optional
|
| 64 |
+
A function to compute the Jacobian of `func` with derivatives
|
| 65 |
+
across the rows. By default, the Jacobian will be estimated.
|
| 66 |
+
full_output : bool, optional
|
| 67 |
+
If True, return optional outputs.
|
| 68 |
+
col_deriv : bool, optional
|
| 69 |
+
Specify whether the Jacobian function computes derivatives down
|
| 70 |
+
the columns (faster, because there is no transpose operation).
|
| 71 |
+
xtol : float, optional
|
| 72 |
+
The calculation will terminate if the relative error between two
|
| 73 |
+
consecutive iterates is at most `xtol`.
|
| 74 |
+
maxfev : int, optional
|
| 75 |
+
The maximum number of calls to the function. If zero, then
|
| 76 |
+
``100*(N+1)`` is the maximum where N is the number of elements
|
| 77 |
+
in `x0`.
|
| 78 |
+
band : tuple, optional
|
| 79 |
+
If set to a two-sequence containing the number of sub- and
|
| 80 |
+
super-diagonals within the band of the Jacobi matrix, the
|
| 81 |
+
Jacobi matrix is considered banded (only for ``fprime=None``).
|
| 82 |
+
epsfcn : float, optional
|
| 83 |
+
A suitable step length for the forward-difference
|
| 84 |
+
approximation of the Jacobian (for ``fprime=None``). If
|
| 85 |
+
`epsfcn` is less than the machine precision, it is assumed
|
| 86 |
+
that the relative errors in the functions are of the order of
|
| 87 |
+
the machine precision.
|
| 88 |
+
factor : float, optional
|
| 89 |
+
A parameter determining the initial step bound
|
| 90 |
+
(``factor * || diag * x||``). Should be in the interval
|
| 91 |
+
``(0.1, 100)``.
|
| 92 |
+
diag : sequence, optional
|
| 93 |
+
N positive entries that serve as a scale factors for the
|
| 94 |
+
variables.
|
| 95 |
+
|
| 96 |
+
Returns
|
| 97 |
+
-------
|
| 98 |
+
x : ndarray
|
| 99 |
+
The solution (or the result of the last iteration for
|
| 100 |
+
an unsuccessful call).
|
| 101 |
+
infodict : dict
|
| 102 |
+
A dictionary of optional outputs with the keys:
|
| 103 |
+
|
| 104 |
+
``nfev``
|
| 105 |
+
number of function calls
|
| 106 |
+
``njev``
|
| 107 |
+
number of Jacobian calls
|
| 108 |
+
``fvec``
|
| 109 |
+
function evaluated at the output
|
| 110 |
+
``fjac``
|
| 111 |
+
the orthogonal matrix, q, produced by the QR
|
| 112 |
+
factorization of the final approximate Jacobian
|
| 113 |
+
matrix, stored column wise
|
| 114 |
+
``r``
|
| 115 |
+
upper triangular matrix produced by QR factorization
|
| 116 |
+
of the same matrix
|
| 117 |
+
``qtf``
|
| 118 |
+
the vector ``(transpose(q) * fvec)``
|
| 119 |
+
|
| 120 |
+
ier : int
|
| 121 |
+
An integer flag. Set to 1 if a solution was found, otherwise refer
|
| 122 |
+
to `mesg` for more information.
|
| 123 |
+
mesg : str
|
| 124 |
+
If no solution is found, `mesg` details the cause of failure.
|
| 125 |
+
|
| 126 |
+
See Also
|
| 127 |
+
--------
|
| 128 |
+
root : Interface to root finding algorithms for multivariate
|
| 129 |
+
functions. See the ``method='hybr'`` in particular.
|
| 130 |
+
|
| 131 |
+
Notes
|
| 132 |
+
-----
|
| 133 |
+
``fsolve`` is a wrapper around MINPACK's hybrd and hybrj algorithms.
|
| 134 |
+
|
| 135 |
+
Examples
|
| 136 |
+
--------
|
| 137 |
+
Find a solution to the system of equations:
|
| 138 |
+
``x0*cos(x1) = 4, x1*x0 - x1 = 5``.
|
| 139 |
+
|
| 140 |
+
>>> import numpy as np
|
| 141 |
+
>>> from scipy.optimize import fsolve
|
| 142 |
+
>>> def func(x):
|
| 143 |
+
... return [x[0] * np.cos(x[1]) - 4,
|
| 144 |
+
... x[1] * x[0] - x[1] - 5]
|
| 145 |
+
>>> root = fsolve(func, [1, 1])
|
| 146 |
+
>>> root
|
| 147 |
+
array([6.50409711, 0.90841421])
|
| 148 |
+
>>> np.isclose(func(root), [0.0, 0.0]) # func(root) should be almost 0.0.
|
| 149 |
+
array([ True, True])
|
| 150 |
+
|
| 151 |
+
"""
|
| 152 |
+
def _wrapped_func(*fargs):
|
| 153 |
+
"""
|
| 154 |
+
Wrapped `func` to track the number of times
|
| 155 |
+
the function has been called.
|
| 156 |
+
"""
|
| 157 |
+
_wrapped_func.nfev += 1
|
| 158 |
+
return func(*fargs)
|
| 159 |
+
|
| 160 |
+
_wrapped_func.nfev = 0
|
| 161 |
+
|
| 162 |
+
options = {'col_deriv': col_deriv,
|
| 163 |
+
'xtol': xtol,
|
| 164 |
+
'maxfev': maxfev,
|
| 165 |
+
'band': band,
|
| 166 |
+
'eps': epsfcn,
|
| 167 |
+
'factor': factor,
|
| 168 |
+
'diag': diag}
|
| 169 |
+
|
| 170 |
+
res = _root_hybr(_wrapped_func, x0, args, jac=fprime, **options)
|
| 171 |
+
res.nfev = _wrapped_func.nfev
|
| 172 |
+
|
| 173 |
+
if full_output:
|
| 174 |
+
x = res['x']
|
| 175 |
+
info = {k: res.get(k)
|
| 176 |
+
for k in ('nfev', 'njev', 'fjac', 'r', 'qtf') if k in res}
|
| 177 |
+
info['fvec'] = res['fun']
|
| 178 |
+
return x, info, res['status'], res['message']
|
| 179 |
+
else:
|
| 180 |
+
status = res['status']
|
| 181 |
+
msg = res['message']
|
| 182 |
+
if status == 0:
|
| 183 |
+
raise TypeError(msg)
|
| 184 |
+
elif status == 1:
|
| 185 |
+
pass
|
| 186 |
+
elif status in [2, 3, 4, 5]:
|
| 187 |
+
warnings.warn(msg, RuntimeWarning, stacklevel=2)
|
| 188 |
+
else:
|
| 189 |
+
raise TypeError(msg)
|
| 190 |
+
return res['x']
|
| 191 |
+
|
| 192 |
+
|
| 193 |
+
def _root_hybr(func, x0, args=(), jac=None,
|
| 194 |
+
col_deriv=0, xtol=1.49012e-08, maxfev=0, band=None, eps=None,
|
| 195 |
+
factor=100, diag=None, **unknown_options):
|
| 196 |
+
"""
|
| 197 |
+
Find the roots of a multivariate function using MINPACK's hybrd and
|
| 198 |
+
hybrj routines (modified Powell method).
|
| 199 |
+
|
| 200 |
+
Options
|
| 201 |
+
-------
|
| 202 |
+
col_deriv : bool
|
| 203 |
+
Specify whether the Jacobian function computes derivatives down
|
| 204 |
+
the columns (faster, because there is no transpose operation).
|
| 205 |
+
xtol : float
|
| 206 |
+
The calculation will terminate if the relative error between two
|
| 207 |
+
consecutive iterates is at most `xtol`.
|
| 208 |
+
maxfev : int
|
| 209 |
+
The maximum number of calls to the function. If zero, then
|
| 210 |
+
``100*(N+1)`` is the maximum where N is the number of elements
|
| 211 |
+
in `x0`.
|
| 212 |
+
band : tuple
|
| 213 |
+
If set to a two-sequence containing the number of sub- and
|
| 214 |
+
super-diagonals within the band of the Jacobi matrix, the
|
| 215 |
+
Jacobi matrix is considered banded (only for ``fprime=None``).
|
| 216 |
+
eps : float
|
| 217 |
+
A suitable step length for the forward-difference
|
| 218 |
+
approximation of the Jacobian (for ``fprime=None``). If
|
| 219 |
+
`eps` is less than the machine precision, it is assumed
|
| 220 |
+
that the relative errors in the functions are of the order of
|
| 221 |
+
the machine precision.
|
| 222 |
+
factor : float
|
| 223 |
+
A parameter determining the initial step bound
|
| 224 |
+
(``factor * || diag * x||``). Should be in the interval
|
| 225 |
+
``(0.1, 100)``.
|
| 226 |
+
diag : sequence
|
| 227 |
+
N positive entries that serve as a scale factors for the
|
| 228 |
+
variables.
|
| 229 |
+
|
| 230 |
+
"""
|
| 231 |
+
_check_unknown_options(unknown_options)
|
| 232 |
+
epsfcn = eps
|
| 233 |
+
|
| 234 |
+
x0 = asarray(x0).flatten()
|
| 235 |
+
n = len(x0)
|
| 236 |
+
if not isinstance(args, tuple):
|
| 237 |
+
args = (args,)
|
| 238 |
+
shape, dtype = _check_func('fsolve', 'func', func, x0, args, n, (n,))
|
| 239 |
+
if epsfcn is None:
|
| 240 |
+
epsfcn = finfo(dtype).eps
|
| 241 |
+
Dfun = jac
|
| 242 |
+
if Dfun is None:
|
| 243 |
+
if band is None:
|
| 244 |
+
ml, mu = -10, -10
|
| 245 |
+
else:
|
| 246 |
+
ml, mu = band[:2]
|
| 247 |
+
if maxfev == 0:
|
| 248 |
+
maxfev = 200 * (n + 1)
|
| 249 |
+
retval = _minpack._hybrd(func, x0, args, 1, xtol, maxfev,
|
| 250 |
+
ml, mu, epsfcn, factor, diag)
|
| 251 |
+
else:
|
| 252 |
+
_check_func('fsolve', 'fprime', Dfun, x0, args, n, (n, n))
|
| 253 |
+
if (maxfev == 0):
|
| 254 |
+
maxfev = 100 * (n + 1)
|
| 255 |
+
retval = _minpack._hybrj(func, Dfun, x0, args, 1,
|
| 256 |
+
col_deriv, xtol, maxfev, factor, diag)
|
| 257 |
+
|
| 258 |
+
x, status = retval[0], retval[-1]
|
| 259 |
+
|
| 260 |
+
errors = {0: "Improper input parameters were entered.",
|
| 261 |
+
1: "The solution converged.",
|
| 262 |
+
2: "The number of calls to function has "
|
| 263 |
+
"reached maxfev = %d." % maxfev,
|
| 264 |
+
3: "xtol=%f is too small, no further improvement "
|
| 265 |
+
"in the approximate\n solution "
|
| 266 |
+
"is possible." % xtol,
|
| 267 |
+
4: "The iteration is not making good progress, as measured "
|
| 268 |
+
"by the \n improvement from the last five "
|
| 269 |
+
"Jacobian evaluations.",
|
| 270 |
+
5: "The iteration is not making good progress, "
|
| 271 |
+
"as measured by the \n improvement from the last "
|
| 272 |
+
"ten iterations.",
|
| 273 |
+
'unknown': "An error occurred."}
|
| 274 |
+
|
| 275 |
+
info = retval[1]
|
| 276 |
+
info['fun'] = info.pop('fvec')
|
| 277 |
+
sol = OptimizeResult(x=x, success=(status == 1), status=status,
|
| 278 |
+
method="hybr")
|
| 279 |
+
sol.update(info)
|
| 280 |
+
try:
|
| 281 |
+
sol['message'] = errors[status]
|
| 282 |
+
except KeyError:
|
| 283 |
+
sol['message'] = errors['unknown']
|
| 284 |
+
|
| 285 |
+
return sol
|
| 286 |
+
|
| 287 |
+
|
| 288 |
+
LEASTSQ_SUCCESS = [1, 2, 3, 4]
|
| 289 |
+
LEASTSQ_FAILURE = [5, 6, 7, 8]
|
| 290 |
+
|
| 291 |
+
|
| 292 |
+
def leastsq(func, x0, args=(), Dfun=None, full_output=False,
|
| 293 |
+
col_deriv=False, ftol=1.49012e-8, xtol=1.49012e-8,
|
| 294 |
+
gtol=0.0, maxfev=0, epsfcn=None, factor=100, diag=None):
|
| 295 |
+
"""
|
| 296 |
+
Minimize the sum of squares of a set of equations.
|
| 297 |
+
|
| 298 |
+
::
|
| 299 |
+
|
| 300 |
+
x = arg min(sum(func(y)**2,axis=0))
|
| 301 |
+
y
|
| 302 |
+
|
| 303 |
+
Parameters
|
| 304 |
+
----------
|
| 305 |
+
func : callable
|
| 306 |
+
Should take at least one (possibly length ``N`` vector) argument and
|
| 307 |
+
returns ``M`` floating point numbers. It must not return NaNs or
|
| 308 |
+
fitting might fail. ``M`` must be greater than or equal to ``N``.
|
| 309 |
+
x0 : ndarray
|
| 310 |
+
The starting estimate for the minimization.
|
| 311 |
+
args : tuple, optional
|
| 312 |
+
Any extra arguments to func are placed in this tuple.
|
| 313 |
+
Dfun : callable, optional
|
| 314 |
+
A function or method to compute the Jacobian of func with derivatives
|
| 315 |
+
across the rows. If this is None, the Jacobian will be estimated.
|
| 316 |
+
full_output : bool, optional
|
| 317 |
+
If ``True``, return all optional outputs (not just `x` and `ier`).
|
| 318 |
+
col_deriv : bool, optional
|
| 319 |
+
If ``True``, specify that the Jacobian function computes derivatives
|
| 320 |
+
down the columns (faster, because there is no transpose operation).
|
| 321 |
+
ftol : float, optional
|
| 322 |
+
Relative error desired in the sum of squares.
|
| 323 |
+
xtol : float, optional
|
| 324 |
+
Relative error desired in the approximate solution.
|
| 325 |
+
gtol : float, optional
|
| 326 |
+
Orthogonality desired between the function vector and the columns of
|
| 327 |
+
the Jacobian.
|
| 328 |
+
maxfev : int, optional
|
| 329 |
+
The maximum number of calls to the function. If `Dfun` is provided,
|
| 330 |
+
then the default `maxfev` is 100*(N+1) where N is the number of elements
|
| 331 |
+
in x0, otherwise the default `maxfev` is 200*(N+1).
|
| 332 |
+
epsfcn : float, optional
|
| 333 |
+
A variable used in determining a suitable step length for the forward-
|
| 334 |
+
difference approximation of the Jacobian (for Dfun=None).
|
| 335 |
+
Normally the actual step length will be sqrt(epsfcn)*x
|
| 336 |
+
If epsfcn is less than the machine precision, it is assumed that the
|
| 337 |
+
relative errors are of the order of the machine precision.
|
| 338 |
+
factor : float, optional
|
| 339 |
+
A parameter determining the initial step bound
|
| 340 |
+
(``factor * || diag * x||``). Should be in interval ``(0.1, 100)``.
|
| 341 |
+
diag : sequence, optional
|
| 342 |
+
N positive entries that serve as a scale factors for the variables.
|
| 343 |
+
|
| 344 |
+
Returns
|
| 345 |
+
-------
|
| 346 |
+
x : ndarray
|
| 347 |
+
The solution (or the result of the last iteration for an unsuccessful
|
| 348 |
+
call).
|
| 349 |
+
cov_x : ndarray
|
| 350 |
+
The inverse of the Hessian. `fjac` and `ipvt` are used to construct an
|
| 351 |
+
estimate of the Hessian. A value of None indicates a singular matrix,
|
| 352 |
+
which means the curvature in parameters `x` is numerically flat. To
|
| 353 |
+
obtain the covariance matrix of the parameters `x`, `cov_x` must be
|
| 354 |
+
multiplied by the variance of the residuals -- see curve_fit. Only
|
| 355 |
+
returned if `full_output` is ``True``.
|
| 356 |
+
infodict : dict
|
| 357 |
+
a dictionary of optional outputs with the keys:
|
| 358 |
+
|
| 359 |
+
``nfev``
|
| 360 |
+
The number of function calls
|
| 361 |
+
``fvec``
|
| 362 |
+
The function evaluated at the output
|
| 363 |
+
``fjac``
|
| 364 |
+
A permutation of the R matrix of a QR
|
| 365 |
+
factorization of the final approximate
|
| 366 |
+
Jacobian matrix, stored column wise.
|
| 367 |
+
Together with ipvt, the covariance of the
|
| 368 |
+
estimate can be approximated.
|
| 369 |
+
``ipvt``
|
| 370 |
+
An integer array of length N which defines
|
| 371 |
+
a permutation matrix, p, such that
|
| 372 |
+
fjac*p = q*r, where r is upper triangular
|
| 373 |
+
with diagonal elements of nonincreasing
|
| 374 |
+
magnitude. Column j of p is column ipvt(j)
|
| 375 |
+
of the identity matrix.
|
| 376 |
+
``qtf``
|
| 377 |
+
The vector (transpose(q) * fvec).
|
| 378 |
+
|
| 379 |
+
Only returned if `full_output` is ``True``.
|
| 380 |
+
mesg : str
|
| 381 |
+
A string message giving information about the cause of failure.
|
| 382 |
+
Only returned if `full_output` is ``True``.
|
| 383 |
+
ier : int
|
| 384 |
+
An integer flag. If it is equal to 1, 2, 3 or 4, the solution was
|
| 385 |
+
found. Otherwise, the solution was not found. In either case, the
|
| 386 |
+
optional output variable 'mesg' gives more information.
|
| 387 |
+
|
| 388 |
+
See Also
|
| 389 |
+
--------
|
| 390 |
+
least_squares : Newer interface to solve nonlinear least-squares problems
|
| 391 |
+
with bounds on the variables. See ``method='lm'`` in particular.
|
| 392 |
+
|
| 393 |
+
Notes
|
| 394 |
+
-----
|
| 395 |
+
"leastsq" is a wrapper around MINPACK's lmdif and lmder algorithms.
|
| 396 |
+
|
| 397 |
+
cov_x is a Jacobian approximation to the Hessian of the least squares
|
| 398 |
+
objective function.
|
| 399 |
+
This approximation assumes that the objective function is based on the
|
| 400 |
+
difference between some observed target data (ydata) and a (non-linear)
|
| 401 |
+
function of the parameters `f(xdata, params)` ::
|
| 402 |
+
|
| 403 |
+
func(params) = ydata - f(xdata, params)
|
| 404 |
+
|
| 405 |
+
so that the objective function is ::
|
| 406 |
+
|
| 407 |
+
min sum((ydata - f(xdata, params))**2, axis=0)
|
| 408 |
+
params
|
| 409 |
+
|
| 410 |
+
The solution, `x`, is always a 1-D array, regardless of the shape of `x0`,
|
| 411 |
+
or whether `x0` is a scalar.
|
| 412 |
+
|
| 413 |
+
Examples
|
| 414 |
+
--------
|
| 415 |
+
>>> from scipy.optimize import leastsq
|
| 416 |
+
>>> def func(x):
|
| 417 |
+
... return 2*(x-3)**2+1
|
| 418 |
+
>>> leastsq(func, 0)
|
| 419 |
+
(array([2.99999999]), 1)
|
| 420 |
+
|
| 421 |
+
"""
|
| 422 |
+
x0 = asarray(x0).flatten()
|
| 423 |
+
n = len(x0)
|
| 424 |
+
if not isinstance(args, tuple):
|
| 425 |
+
args = (args,)
|
| 426 |
+
shape, dtype = _check_func('leastsq', 'func', func, x0, args, n)
|
| 427 |
+
m = shape[0]
|
| 428 |
+
|
| 429 |
+
if n > m:
|
| 430 |
+
raise TypeError(f"Improper input: func input vector length N={n} must"
|
| 431 |
+
f" not exceed func output vector length M={m}")
|
| 432 |
+
|
| 433 |
+
if epsfcn is None:
|
| 434 |
+
epsfcn = finfo(dtype).eps
|
| 435 |
+
|
| 436 |
+
if Dfun is None:
|
| 437 |
+
if maxfev == 0:
|
| 438 |
+
maxfev = 200*(n + 1)
|
| 439 |
+
retval = _minpack._lmdif(func, x0, args, full_output, ftol, xtol,
|
| 440 |
+
gtol, maxfev, epsfcn, factor, diag)
|
| 441 |
+
else:
|
| 442 |
+
if col_deriv:
|
| 443 |
+
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (n, m))
|
| 444 |
+
else:
|
| 445 |
+
_check_func('leastsq', 'Dfun', Dfun, x0, args, n, (m, n))
|
| 446 |
+
if maxfev == 0:
|
| 447 |
+
maxfev = 100 * (n + 1)
|
| 448 |
+
retval = _minpack._lmder(func, Dfun, x0, args, full_output,
|
| 449 |
+
col_deriv, ftol, xtol, gtol, maxfev,
|
| 450 |
+
factor, diag)
|
| 451 |
+
|
| 452 |
+
errors = {0: ["Improper input parameters.", TypeError],
|
| 453 |
+
1: ["Both actual and predicted relative reductions "
|
| 454 |
+
"in the sum of squares\n are at most %f" % ftol, None],
|
| 455 |
+
2: ["The relative error between two consecutive "
|
| 456 |
+
"iterates is at most %f" % xtol, None],
|
| 457 |
+
3: ["Both actual and predicted relative reductions in "
|
| 458 |
+
f"the sum of squares\n are at most {ftol:f} and the "
|
| 459 |
+
"relative error between two consecutive "
|
| 460 |
+
f"iterates is at \n most {xtol:f}", None],
|
| 461 |
+
4: ["The cosine of the angle between func(x) and any "
|
| 462 |
+
"column of the\n Jacobian is at most %f in "
|
| 463 |
+
"absolute value" % gtol, None],
|
| 464 |
+
5: ["Number of calls to function has reached "
|
| 465 |
+
"maxfev = %d." % maxfev, ValueError],
|
| 466 |
+
6: ["ftol=%f is too small, no further reduction "
|
| 467 |
+
"in the sum of squares\n is possible." % ftol,
|
| 468 |
+
ValueError],
|
| 469 |
+
7: ["xtol=%f is too small, no further improvement in "
|
| 470 |
+
"the approximate\n solution is possible." % xtol,
|
| 471 |
+
ValueError],
|
| 472 |
+
8: ["gtol=%f is too small, func(x) is orthogonal to the "
|
| 473 |
+
"columns of\n the Jacobian to machine "
|
| 474 |
+
"precision." % gtol, ValueError]}
|
| 475 |
+
|
| 476 |
+
# The FORTRAN return value (possible return values are >= 0 and <= 8)
|
| 477 |
+
info = retval[-1]
|
| 478 |
+
|
| 479 |
+
if full_output:
|
| 480 |
+
cov_x = None
|
| 481 |
+
if info in LEASTSQ_SUCCESS:
|
| 482 |
+
# This was
|
| 483 |
+
# perm = take(eye(n), retval[1]['ipvt'] - 1, 0)
|
| 484 |
+
# r = triu(transpose(retval[1]['fjac'])[:n, :])
|
| 485 |
+
# R = dot(r, perm)
|
| 486 |
+
# cov_x = inv(dot(transpose(R), R))
|
| 487 |
+
# but the explicit dot product was not necessary and sometimes
|
| 488 |
+
# the result was not symmetric positive definite. See gh-4555.
|
| 489 |
+
perm = retval[1]['ipvt'] - 1
|
| 490 |
+
n = len(perm)
|
| 491 |
+
r = triu(transpose(retval[1]['fjac'])[:n, :])
|
| 492 |
+
inv_triu = linalg.get_lapack_funcs('trtri', (r,))
|
| 493 |
+
try:
|
| 494 |
+
# inverse of permuted matrix is a permutation of matrix inverse
|
| 495 |
+
invR, trtri_info = inv_triu(r) # default: upper, non-unit diag
|
| 496 |
+
if trtri_info != 0: # explicit comparison for readability
|
| 497 |
+
raise LinAlgError(f'trtri returned info {trtri_info}')
|
| 498 |
+
invR[perm] = invR.copy()
|
| 499 |
+
cov_x = invR @ invR.T
|
| 500 |
+
except (LinAlgError, ValueError):
|
| 501 |
+
pass
|
| 502 |
+
return (retval[0], cov_x) + retval[1:-1] + (errors[info][0], info)
|
| 503 |
+
else:
|
| 504 |
+
if info in LEASTSQ_FAILURE:
|
| 505 |
+
warnings.warn(errors[info][0], RuntimeWarning, stacklevel=2)
|
| 506 |
+
elif info == 0:
|
| 507 |
+
raise errors[info][1](errors[info][0])
|
| 508 |
+
return retval[0], info
|
| 509 |
+
|
| 510 |
+
|
| 511 |
+
def _lightweight_memoizer(f):
|
| 512 |
+
# very shallow memoization to address gh-13670: only remember the first set
|
| 513 |
+
# of parameters and corresponding function value, and only attempt to use
|
| 514 |
+
# them twice (the number of times the function is evaluated at x0).
|
| 515 |
+
def _memoized_func(params):
|
| 516 |
+
if _memoized_func.skip_lookup:
|
| 517 |
+
return f(params)
|
| 518 |
+
|
| 519 |
+
if np.all(_memoized_func.last_params == params):
|
| 520 |
+
return _memoized_func.last_val
|
| 521 |
+
elif _memoized_func.last_params is not None:
|
| 522 |
+
_memoized_func.skip_lookup = True
|
| 523 |
+
|
| 524 |
+
val = f(params)
|
| 525 |
+
|
| 526 |
+
if _memoized_func.last_params is None:
|
| 527 |
+
_memoized_func.last_params = np.copy(params)
|
| 528 |
+
_memoized_func.last_val = val
|
| 529 |
+
|
| 530 |
+
return val
|
| 531 |
+
|
| 532 |
+
_memoized_func.last_params = None
|
| 533 |
+
_memoized_func.last_val = None
|
| 534 |
+
_memoized_func.skip_lookup = False
|
| 535 |
+
return _memoized_func
|
| 536 |
+
|
| 537 |
+
|
| 538 |
+
def _wrap_func(func, xdata, ydata, transform):
|
| 539 |
+
if transform is None:
|
| 540 |
+
def func_wrapped(params):
|
| 541 |
+
return func(xdata, *params) - ydata
|
| 542 |
+
elif transform.size == 1 or transform.ndim == 1:
|
| 543 |
+
def func_wrapped(params):
|
| 544 |
+
return transform * (func(xdata, *params) - ydata)
|
| 545 |
+
else:
|
| 546 |
+
# Chisq = (y - yd)^T C^{-1} (y-yd)
|
| 547 |
+
# transform = L such that C = L L^T
|
| 548 |
+
# C^{-1} = L^{-T} L^{-1}
|
| 549 |
+
# Chisq = (y - yd)^T L^{-T} L^{-1} (y-yd)
|
| 550 |
+
# Define (y-yd)' = L^{-1} (y-yd)
|
| 551 |
+
# by solving
|
| 552 |
+
# L (y-yd)' = (y-yd)
|
| 553 |
+
# and minimize (y-yd)'^T (y-yd)'
|
| 554 |
+
def func_wrapped(params):
|
| 555 |
+
return solve_triangular(transform, func(xdata, *params) - ydata, lower=True)
|
| 556 |
+
return func_wrapped
|
| 557 |
+
|
| 558 |
+
|
| 559 |
+
def _wrap_jac(jac, xdata, transform):
|
| 560 |
+
if transform is None:
|
| 561 |
+
def jac_wrapped(params):
|
| 562 |
+
return jac(xdata, *params)
|
| 563 |
+
elif transform.ndim == 1:
|
| 564 |
+
def jac_wrapped(params):
|
| 565 |
+
return transform[:, np.newaxis] * np.asarray(jac(xdata, *params))
|
| 566 |
+
else:
|
| 567 |
+
def jac_wrapped(params):
|
| 568 |
+
return solve_triangular(transform,
|
| 569 |
+
np.asarray(jac(xdata, *params)),
|
| 570 |
+
lower=True)
|
| 571 |
+
return jac_wrapped
|
| 572 |
+
|
| 573 |
+
|
| 574 |
+
def _initialize_feasible(lb, ub):
|
| 575 |
+
p0 = np.ones_like(lb)
|
| 576 |
+
lb_finite = np.isfinite(lb)
|
| 577 |
+
ub_finite = np.isfinite(ub)
|
| 578 |
+
|
| 579 |
+
mask = lb_finite & ub_finite
|
| 580 |
+
p0[mask] = 0.5 * (lb[mask] + ub[mask])
|
| 581 |
+
|
| 582 |
+
mask = lb_finite & ~ub_finite
|
| 583 |
+
p0[mask] = lb[mask] + 1
|
| 584 |
+
|
| 585 |
+
mask = ~lb_finite & ub_finite
|
| 586 |
+
p0[mask] = ub[mask] - 1
|
| 587 |
+
|
| 588 |
+
return p0
|
| 589 |
+
|
| 590 |
+
|
| 591 |
+
def curve_fit(f, xdata, ydata, p0=None, sigma=None, absolute_sigma=False,
|
| 592 |
+
check_finite=None, bounds=(-np.inf, np.inf), method=None,
|
| 593 |
+
jac=None, *, full_output=False, nan_policy=None,
|
| 594 |
+
**kwargs):
|
| 595 |
+
"""
|
| 596 |
+
Use non-linear least squares to fit a function, f, to data.
|
| 597 |
+
|
| 598 |
+
Assumes ``ydata = f(xdata, *params) + eps``.
|
| 599 |
+
|
| 600 |
+
Parameters
|
| 601 |
+
----------
|
| 602 |
+
f : callable
|
| 603 |
+
The model function, f(x, ...). It must take the independent
|
| 604 |
+
variable as the first argument and the parameters to fit as
|
| 605 |
+
separate remaining arguments.
|
| 606 |
+
xdata : array_like
|
| 607 |
+
The independent variable where the data is measured.
|
| 608 |
+
Should usually be an M-length sequence or an (k,M)-shaped array for
|
| 609 |
+
functions with k predictors, and each element should be float
|
| 610 |
+
convertible if it is an array like object.
|
| 611 |
+
ydata : array_like
|
| 612 |
+
The dependent data, a length M array - nominally ``f(xdata, ...)``.
|
| 613 |
+
p0 : array_like, optional
|
| 614 |
+
Initial guess for the parameters (length N). If None, then the
|
| 615 |
+
initial values will all be 1 (if the number of parameters for the
|
| 616 |
+
function can be determined using introspection, otherwise a
|
| 617 |
+
ValueError is raised).
|
| 618 |
+
sigma : None or scalar or M-length sequence or MxM array, optional
|
| 619 |
+
Determines the uncertainty in `ydata`. If we define residuals as
|
| 620 |
+
``r = ydata - f(xdata, *popt)``, then the interpretation of `sigma`
|
| 621 |
+
depends on its number of dimensions:
|
| 622 |
+
|
| 623 |
+
- A scalar or 1-D `sigma` should contain values of standard deviations of
|
| 624 |
+
errors in `ydata`. In this case, the optimized function is
|
| 625 |
+
``chisq = sum((r / sigma) ** 2)``.
|
| 626 |
+
|
| 627 |
+
- A 2-D `sigma` should contain the covariance matrix of
|
| 628 |
+
errors in `ydata`. In this case, the optimized function is
|
| 629 |
+
``chisq = r.T @ inv(sigma) @ r``.
|
| 630 |
+
|
| 631 |
+
.. versionadded:: 0.19
|
| 632 |
+
|
| 633 |
+
None (default) is equivalent of 1-D `sigma` filled with ones.
|
| 634 |
+
absolute_sigma : bool, optional
|
| 635 |
+
If True, `sigma` is used in an absolute sense and the estimated parameter
|
| 636 |
+
covariance `pcov` reflects these absolute values.
|
| 637 |
+
|
| 638 |
+
If False (default), only the relative magnitudes of the `sigma` values matter.
|
| 639 |
+
The returned parameter covariance matrix `pcov` is based on scaling
|
| 640 |
+
`sigma` by a constant factor. This constant is set by demanding that the
|
| 641 |
+
reduced `chisq` for the optimal parameters `popt` when using the
|
| 642 |
+
*scaled* `sigma` equals unity. In other words, `sigma` is scaled to
|
| 643 |
+
match the sample variance of the residuals after the fit. Default is False.
|
| 644 |
+
Mathematically,
|
| 645 |
+
``pcov(absolute_sigma=False) = pcov(absolute_sigma=True) * chisq(popt)/(M-N)``
|
| 646 |
+
check_finite : bool, optional
|
| 647 |
+
If True, check that the input arrays do not contain nans of infs,
|
| 648 |
+
and raise a ValueError if they do. Setting this parameter to
|
| 649 |
+
False may silently produce nonsensical results if the input arrays
|
| 650 |
+
do contain nans. Default is True if `nan_policy` is not specified
|
| 651 |
+
explicitly and False otherwise.
|
| 652 |
+
bounds : 2-tuple of array_like or `Bounds`, optional
|
| 653 |
+
Lower and upper bounds on parameters. Defaults to no bounds.
|
| 654 |
+
There are two ways to specify the bounds:
|
| 655 |
+
|
| 656 |
+
- Instance of `Bounds` class.
|
| 657 |
+
|
| 658 |
+
- 2-tuple of array_like: Each element of the tuple must be either
|
| 659 |
+
an array with the length equal to the number of parameters, or a
|
| 660 |
+
scalar (in which case the bound is taken to be the same for all
|
| 661 |
+
parameters). Use ``np.inf`` with an appropriate sign to disable
|
| 662 |
+
bounds on all or some parameters.
|
| 663 |
+
|
| 664 |
+
method : {'lm', 'trf', 'dogbox'}, optional
|
| 665 |
+
Method to use for optimization. See `least_squares` for more details.
|
| 666 |
+
Default is 'lm' for unconstrained problems and 'trf' if `bounds` are
|
| 667 |
+
provided. The method 'lm' won't work when the number of observations
|
| 668 |
+
is less than the number of variables, use 'trf' or 'dogbox' in this
|
| 669 |
+
case.
|
| 670 |
+
|
| 671 |
+
.. versionadded:: 0.17
|
| 672 |
+
jac : callable, string or None, optional
|
| 673 |
+
Function with signature ``jac(x, ...)`` which computes the Jacobian
|
| 674 |
+
matrix of the model function with respect to parameters as a dense
|
| 675 |
+
array_like structure. It will be scaled according to provided `sigma`.
|
| 676 |
+
If None (default), the Jacobian will be estimated numerically.
|
| 677 |
+
String keywords for 'trf' and 'dogbox' methods can be used to select
|
| 678 |
+
a finite difference scheme, see `least_squares`.
|
| 679 |
+
|
| 680 |
+
.. versionadded:: 0.18
|
| 681 |
+
full_output : boolean, optional
|
| 682 |
+
If True, this function returns additioal information: `infodict`,
|
| 683 |
+
`mesg`, and `ier`.
|
| 684 |
+
|
| 685 |
+
.. versionadded:: 1.9
|
| 686 |
+
nan_policy : {'raise', 'omit', None}, optional
|
| 687 |
+
Defines how to handle when input contains nan.
|
| 688 |
+
The following options are available (default is None):
|
| 689 |
+
|
| 690 |
+
* 'raise': throws an error
|
| 691 |
+
* 'omit': performs the calculations ignoring nan values
|
| 692 |
+
* None: no special handling of NaNs is performed
|
| 693 |
+
(except what is done by check_finite); the behavior when NaNs
|
| 694 |
+
are present is implementation-dependent and may change.
|
| 695 |
+
|
| 696 |
+
Note that if this value is specified explicitly (not None),
|
| 697 |
+
`check_finite` will be set as False.
|
| 698 |
+
|
| 699 |
+
.. versionadded:: 1.11
|
| 700 |
+
**kwargs
|
| 701 |
+
Keyword arguments passed to `leastsq` for ``method='lm'`` or
|
| 702 |
+
`least_squares` otherwise.
|
| 703 |
+
|
| 704 |
+
Returns
|
| 705 |
+
-------
|
| 706 |
+
popt : array
|
| 707 |
+
Optimal values for the parameters so that the sum of the squared
|
| 708 |
+
residuals of ``f(xdata, *popt) - ydata`` is minimized.
|
| 709 |
+
pcov : 2-D array
|
| 710 |
+
The estimated approximate covariance of popt. The diagonals provide
|
| 711 |
+
the variance of the parameter estimate. To compute one standard
|
| 712 |
+
deviation errors on the parameters, use
|
| 713 |
+
``perr = np.sqrt(np.diag(pcov))``. Note that the relationship between
|
| 714 |
+
`cov` and parameter error estimates is derived based on a linear
|
| 715 |
+
approximation to the model function around the optimum [1].
|
| 716 |
+
When this approximation becomes inaccurate, `cov` may not provide an
|
| 717 |
+
accurate measure of uncertainty.
|
| 718 |
+
|
| 719 |
+
How the `sigma` parameter affects the estimated covariance
|
| 720 |
+
depends on `absolute_sigma` argument, as described above.
|
| 721 |
+
|
| 722 |
+
If the Jacobian matrix at the solution doesn't have a full rank, then
|
| 723 |
+
'lm' method returns a matrix filled with ``np.inf``, on the other hand
|
| 724 |
+
'trf' and 'dogbox' methods use Moore-Penrose pseudoinverse to compute
|
| 725 |
+
the covariance matrix. Covariance matrices with large condition numbers
|
| 726 |
+
(e.g. computed with `numpy.linalg.cond`) may indicate that results are
|
| 727 |
+
unreliable.
|
| 728 |
+
infodict : dict (returned only if `full_output` is True)
|
| 729 |
+
a dictionary of optional outputs with the keys:
|
| 730 |
+
|
| 731 |
+
``nfev``
|
| 732 |
+
The number of function calls. Methods 'trf' and 'dogbox' do not
|
| 733 |
+
count function calls for numerical Jacobian approximation,
|
| 734 |
+
as opposed to 'lm' method.
|
| 735 |
+
``fvec``
|
| 736 |
+
The residual values evaluated at the solution, for a 1-D `sigma`
|
| 737 |
+
this is ``(f(x, *popt) - ydata)/sigma``.
|
| 738 |
+
``fjac``
|
| 739 |
+
A permutation of the R matrix of a QR
|
| 740 |
+
factorization of the final approximate
|
| 741 |
+
Jacobian matrix, stored column wise.
|
| 742 |
+
Together with ipvt, the covariance of the
|
| 743 |
+
estimate can be approximated.
|
| 744 |
+
Method 'lm' only provides this information.
|
| 745 |
+
``ipvt``
|
| 746 |
+
An integer array of length N which defines
|
| 747 |
+
a permutation matrix, p, such that
|
| 748 |
+
fjac*p = q*r, where r is upper triangular
|
| 749 |
+
with diagonal elements of nonincreasing
|
| 750 |
+
magnitude. Column j of p is column ipvt(j)
|
| 751 |
+
of the identity matrix.
|
| 752 |
+
Method 'lm' only provides this information.
|
| 753 |
+
``qtf``
|
| 754 |
+
The vector (transpose(q) * fvec).
|
| 755 |
+
Method 'lm' only provides this information.
|
| 756 |
+
|
| 757 |
+
.. versionadded:: 1.9
|
| 758 |
+
mesg : str (returned only if `full_output` is True)
|
| 759 |
+
A string message giving information about the solution.
|
| 760 |
+
|
| 761 |
+
.. versionadded:: 1.9
|
| 762 |
+
ier : int (returned only if `full_output` is True)
|
| 763 |
+
An integer flag. If it is equal to 1, 2, 3 or 4, the solution was
|
| 764 |
+
found. Otherwise, the solution was not found. In either case, the
|
| 765 |
+
optional output variable `mesg` gives more information.
|
| 766 |
+
|
| 767 |
+
.. versionadded:: 1.9
|
| 768 |
+
|
| 769 |
+
Raises
|
| 770 |
+
------
|
| 771 |
+
ValueError
|
| 772 |
+
if either `ydata` or `xdata` contain NaNs, or if incompatible options
|
| 773 |
+
are used.
|
| 774 |
+
|
| 775 |
+
RuntimeError
|
| 776 |
+
if the least-squares minimization fails.
|
| 777 |
+
|
| 778 |
+
OptimizeWarning
|
| 779 |
+
if covariance of the parameters can not be estimated.
|
| 780 |
+
|
| 781 |
+
See Also
|
| 782 |
+
--------
|
| 783 |
+
least_squares : Minimize the sum of squares of nonlinear functions.
|
| 784 |
+
scipy.stats.linregress : Calculate a linear least squares regression for
|
| 785 |
+
two sets of measurements.
|
| 786 |
+
|
| 787 |
+
Notes
|
| 788 |
+
-----
|
| 789 |
+
Users should ensure that inputs `xdata`, `ydata`, and the output of `f`
|
| 790 |
+
are ``float64``, or else the optimization may return incorrect results.
|
| 791 |
+
|
| 792 |
+
With ``method='lm'``, the algorithm uses the Levenberg-Marquardt algorithm
|
| 793 |
+
through `leastsq`. Note that this algorithm can only deal with
|
| 794 |
+
unconstrained problems.
|
| 795 |
+
|
| 796 |
+
Box constraints can be handled by methods 'trf' and 'dogbox'. Refer to
|
| 797 |
+
the docstring of `least_squares` for more information.
|
| 798 |
+
|
| 799 |
+
Parameters to be fitted must have similar scale. Differences of multiple
|
| 800 |
+
orders of magnitude can lead to incorrect results. For the 'trf' and
|
| 801 |
+
'dogbox' methods, the `x_scale` keyword argument can be used to scale
|
| 802 |
+
the parameters.
|
| 803 |
+
|
| 804 |
+
References
|
| 805 |
+
----------
|
| 806 |
+
[1] K. Vugrin et al. Confidence region estimation techniques for nonlinear
|
| 807 |
+
regression in groundwater flow: Three case studies. Water Resources
|
| 808 |
+
Research, Vol. 43, W03423, :doi:`10.1029/2005WR004804`
|
| 809 |
+
|
| 810 |
+
Examples
|
| 811 |
+
--------
|
| 812 |
+
>>> import numpy as np
|
| 813 |
+
>>> import matplotlib.pyplot as plt
|
| 814 |
+
>>> from scipy.optimize import curve_fit
|
| 815 |
+
|
| 816 |
+
>>> def func(x, a, b, c):
|
| 817 |
+
... return a * np.exp(-b * x) + c
|
| 818 |
+
|
| 819 |
+
Define the data to be fit with some noise:
|
| 820 |
+
|
| 821 |
+
>>> xdata = np.linspace(0, 4, 50)
|
| 822 |
+
>>> y = func(xdata, 2.5, 1.3, 0.5)
|
| 823 |
+
>>> rng = np.random.default_rng()
|
| 824 |
+
>>> y_noise = 0.2 * rng.normal(size=xdata.size)
|
| 825 |
+
>>> ydata = y + y_noise
|
| 826 |
+
>>> plt.plot(xdata, ydata, 'b-', label='data')
|
| 827 |
+
|
| 828 |
+
Fit for the parameters a, b, c of the function `func`:
|
| 829 |
+
|
| 830 |
+
>>> popt, pcov = curve_fit(func, xdata, ydata)
|
| 831 |
+
>>> popt
|
| 832 |
+
array([2.56274217, 1.37268521, 0.47427475])
|
| 833 |
+
>>> plt.plot(xdata, func(xdata, *popt), 'r-',
|
| 834 |
+
... label='fit: a=%5.3f, b=%5.3f, c=%5.3f' % tuple(popt))
|
| 835 |
+
|
| 836 |
+
Constrain the optimization to the region of ``0 <= a <= 3``,
|
| 837 |
+
``0 <= b <= 1`` and ``0 <= c <= 0.5``:
|
| 838 |
+
|
| 839 |
+
>>> popt, pcov = curve_fit(func, xdata, ydata, bounds=(0, [3., 1., 0.5]))
|
| 840 |
+
>>> popt
|
| 841 |
+
array([2.43736712, 1. , 0.34463856])
|
| 842 |
+
>>> plt.plot(xdata, func(xdata, *popt), 'g--',
|
| 843 |
+
... label='fit: a=%5.3f, b=%5.3f, c=%5.3f' % tuple(popt))
|
| 844 |
+
|
| 845 |
+
>>> plt.xlabel('x')
|
| 846 |
+
>>> plt.ylabel('y')
|
| 847 |
+
>>> plt.legend()
|
| 848 |
+
>>> plt.show()
|
| 849 |
+
|
| 850 |
+
For reliable results, the model `func` should not be overparametrized;
|
| 851 |
+
redundant parameters can cause unreliable covariance matrices and, in some
|
| 852 |
+
cases, poorer quality fits. As a quick check of whether the model may be
|
| 853 |
+
overparameterized, calculate the condition number of the covariance matrix:
|
| 854 |
+
|
| 855 |
+
>>> np.linalg.cond(pcov)
|
| 856 |
+
34.571092161547405 # may vary
|
| 857 |
+
|
| 858 |
+
The value is small, so it does not raise much concern. If, however, we were
|
| 859 |
+
to add a fourth parameter ``d`` to `func` with the same effect as ``a``:
|
| 860 |
+
|
| 861 |
+
>>> def func2(x, a, b, c, d):
|
| 862 |
+
... return a * d * np.exp(-b * x) + c # a and d are redundant
|
| 863 |
+
>>> popt, pcov = curve_fit(func2, xdata, ydata)
|
| 864 |
+
>>> np.linalg.cond(pcov)
|
| 865 |
+
1.13250718925596e+32 # may vary
|
| 866 |
+
|
| 867 |
+
Such a large value is cause for concern. The diagonal elements of the
|
| 868 |
+
covariance matrix, which is related to uncertainty of the fit, gives more
|
| 869 |
+
information:
|
| 870 |
+
|
| 871 |
+
>>> np.diag(pcov)
|
| 872 |
+
array([1.48814742e+29, 3.78596560e-02, 5.39253738e-03, 2.76417220e+28]) # may vary
|
| 873 |
+
|
| 874 |
+
Note that the first and last terms are much larger than the other elements,
|
| 875 |
+
suggesting that the optimal values of these parameters are ambiguous and
|
| 876 |
+
that only one of these parameters is needed in the model.
|
| 877 |
+
|
| 878 |
+
If the optimal parameters of `f` differ by multiple orders of magnitude, the
|
| 879 |
+
resulting fit can be inaccurate. Sometimes, `curve_fit` can fail to find any
|
| 880 |
+
results:
|
| 881 |
+
|
| 882 |
+
>>> ydata = func(xdata, 500000, 0.01, 15)
|
| 883 |
+
>>> try:
|
| 884 |
+
... popt, pcov = curve_fit(func, xdata, ydata, method = 'trf')
|
| 885 |
+
... except RuntimeError as e:
|
| 886 |
+
... print(e)
|
| 887 |
+
Optimal parameters not found: The maximum number of function evaluations is
|
| 888 |
+
exceeded.
|
| 889 |
+
|
| 890 |
+
If parameter scale is roughly known beforehand, it can be defined in
|
| 891 |
+
`x_scale` argument:
|
| 892 |
+
|
| 893 |
+
>>> popt, pcov = curve_fit(func, xdata, ydata, method = 'trf',
|
| 894 |
+
... x_scale = [1000, 1, 1])
|
| 895 |
+
>>> popt
|
| 896 |
+
array([5.00000000e+05, 1.00000000e-02, 1.49999999e+01])
|
| 897 |
+
"""
|
| 898 |
+
if p0 is None:
|
| 899 |
+
# determine number of parameters by inspecting the function
|
| 900 |
+
sig = _getfullargspec(f)
|
| 901 |
+
args = sig.args
|
| 902 |
+
if len(args) < 2:
|
| 903 |
+
raise ValueError("Unable to determine number of fit parameters.")
|
| 904 |
+
n = len(args) - 1
|
| 905 |
+
else:
|
| 906 |
+
p0 = np.atleast_1d(p0)
|
| 907 |
+
n = p0.size
|
| 908 |
+
|
| 909 |
+
if isinstance(bounds, Bounds):
|
| 910 |
+
lb, ub = bounds.lb, bounds.ub
|
| 911 |
+
else:
|
| 912 |
+
lb, ub = prepare_bounds(bounds, n)
|
| 913 |
+
if p0 is None:
|
| 914 |
+
p0 = _initialize_feasible(lb, ub)
|
| 915 |
+
|
| 916 |
+
bounded_problem = np.any((lb > -np.inf) | (ub < np.inf))
|
| 917 |
+
if method is None:
|
| 918 |
+
if bounded_problem:
|
| 919 |
+
method = 'trf'
|
| 920 |
+
else:
|
| 921 |
+
method = 'lm'
|
| 922 |
+
|
| 923 |
+
if method == 'lm' and bounded_problem:
|
| 924 |
+
raise ValueError("Method 'lm' only works for unconstrained problems. "
|
| 925 |
+
"Use 'trf' or 'dogbox' instead.")
|
| 926 |
+
|
| 927 |
+
if check_finite is None:
|
| 928 |
+
check_finite = True if nan_policy is None else False
|
| 929 |
+
|
| 930 |
+
# optimization may produce garbage for float32 inputs, cast them to float64
|
| 931 |
+
if check_finite:
|
| 932 |
+
ydata = np.asarray_chkfinite(ydata, float)
|
| 933 |
+
else:
|
| 934 |
+
ydata = np.asarray(ydata, float)
|
| 935 |
+
|
| 936 |
+
if isinstance(xdata, (list, tuple, np.ndarray)):
|
| 937 |
+
# `xdata` is passed straight to the user-defined `f`, so allow
|
| 938 |
+
# non-array_like `xdata`.
|
| 939 |
+
if check_finite:
|
| 940 |
+
xdata = np.asarray_chkfinite(xdata, float)
|
| 941 |
+
else:
|
| 942 |
+
xdata = np.asarray(xdata, float)
|
| 943 |
+
|
| 944 |
+
if ydata.size == 0:
|
| 945 |
+
raise ValueError("`ydata` must not be empty!")
|
| 946 |
+
|
| 947 |
+
# nan handling is needed only if check_finite is False because if True,
|
| 948 |
+
# the x-y data are already checked, and they don't contain nans.
|
| 949 |
+
if not check_finite and nan_policy is not None:
|
| 950 |
+
if nan_policy == "propagate":
|
| 951 |
+
raise ValueError("`nan_policy='propagate'` is not supported "
|
| 952 |
+
"by this function.")
|
| 953 |
+
|
| 954 |
+
policies = [None, 'raise', 'omit']
|
| 955 |
+
x_contains_nan, nan_policy = _contains_nan(xdata, nan_policy,
|
| 956 |
+
policies=policies)
|
| 957 |
+
y_contains_nan, nan_policy = _contains_nan(ydata, nan_policy,
|
| 958 |
+
policies=policies)
|
| 959 |
+
|
| 960 |
+
if (x_contains_nan or y_contains_nan) and nan_policy == 'omit':
|
| 961 |
+
# ignore NaNs for N dimensional arrays
|
| 962 |
+
has_nan = np.isnan(xdata)
|
| 963 |
+
has_nan = has_nan.any(axis=tuple(range(has_nan.ndim-1)))
|
| 964 |
+
has_nan |= np.isnan(ydata)
|
| 965 |
+
|
| 966 |
+
xdata = xdata[..., ~has_nan]
|
| 967 |
+
ydata = ydata[~has_nan]
|
| 968 |
+
|
| 969 |
+
# Determine type of sigma
|
| 970 |
+
if sigma is not None:
|
| 971 |
+
sigma = np.asarray(sigma)
|
| 972 |
+
|
| 973 |
+
# if 1-D or a scalar, sigma are errors, define transform = 1/sigma
|
| 974 |
+
if sigma.size == 1 or sigma.shape == (ydata.size, ):
|
| 975 |
+
transform = 1.0 / sigma
|
| 976 |
+
# if 2-D, sigma is the covariance matrix,
|
| 977 |
+
# define transform = L such that L L^T = C
|
| 978 |
+
elif sigma.shape == (ydata.size, ydata.size):
|
| 979 |
+
try:
|
| 980 |
+
# scipy.linalg.cholesky requires lower=True to return L L^T = A
|
| 981 |
+
transform = cholesky(sigma, lower=True)
|
| 982 |
+
except LinAlgError as e:
|
| 983 |
+
raise ValueError("`sigma` must be positive definite.") from e
|
| 984 |
+
else:
|
| 985 |
+
raise ValueError("`sigma` has incorrect shape.")
|
| 986 |
+
else:
|
| 987 |
+
transform = None
|
| 988 |
+
|
| 989 |
+
func = _lightweight_memoizer(_wrap_func(f, xdata, ydata, transform))
|
| 990 |
+
|
| 991 |
+
if callable(jac):
|
| 992 |
+
jac = _lightweight_memoizer(_wrap_jac(jac, xdata, transform))
|
| 993 |
+
elif jac is None and method != 'lm':
|
| 994 |
+
jac = '2-point'
|
| 995 |
+
|
| 996 |
+
if 'args' in kwargs:
|
| 997 |
+
# The specification for the model function `f` does not support
|
| 998 |
+
# additional arguments. Refer to the `curve_fit` docstring for
|
| 999 |
+
# acceptable call signatures of `f`.
|
| 1000 |
+
raise ValueError("'args' is not a supported keyword argument.")
|
| 1001 |
+
|
| 1002 |
+
if method == 'lm':
|
| 1003 |
+
# if ydata.size == 1, this might be used for broadcast.
|
| 1004 |
+
if ydata.size != 1 and n > ydata.size:
|
| 1005 |
+
raise TypeError(f"The number of func parameters={n} must not"
|
| 1006 |
+
f" exceed the number of data points={ydata.size}")
|
| 1007 |
+
res = leastsq(func, p0, Dfun=jac, full_output=1, **kwargs)
|
| 1008 |
+
popt, pcov, infodict, errmsg, ier = res
|
| 1009 |
+
ysize = len(infodict['fvec'])
|
| 1010 |
+
cost = np.sum(infodict['fvec'] ** 2)
|
| 1011 |
+
if ier not in [1, 2, 3, 4]:
|
| 1012 |
+
raise RuntimeError("Optimal parameters not found: " + errmsg)
|
| 1013 |
+
else:
|
| 1014 |
+
# Rename maxfev (leastsq) to max_nfev (least_squares), if specified.
|
| 1015 |
+
if 'max_nfev' not in kwargs:
|
| 1016 |
+
kwargs['max_nfev'] = kwargs.pop('maxfev', None)
|
| 1017 |
+
|
| 1018 |
+
res = least_squares(func, p0, jac=jac, bounds=bounds, method=method,
|
| 1019 |
+
**kwargs)
|
| 1020 |
+
|
| 1021 |
+
if not res.success:
|
| 1022 |
+
raise RuntimeError("Optimal parameters not found: " + res.message)
|
| 1023 |
+
|
| 1024 |
+
infodict = dict(nfev=res.nfev, fvec=res.fun)
|
| 1025 |
+
ier = res.status
|
| 1026 |
+
errmsg = res.message
|
| 1027 |
+
|
| 1028 |
+
ysize = len(res.fun)
|
| 1029 |
+
cost = 2 * res.cost # res.cost is half sum of squares!
|
| 1030 |
+
popt = res.x
|
| 1031 |
+
|
| 1032 |
+
# Do Moore-Penrose inverse discarding zero singular values.
|
| 1033 |
+
_, s, VT = svd(res.jac, full_matrices=False)
|
| 1034 |
+
threshold = np.finfo(float).eps * max(res.jac.shape) * s[0]
|
| 1035 |
+
s = s[s > threshold]
|
| 1036 |
+
VT = VT[:s.size]
|
| 1037 |
+
pcov = np.dot(VT.T / s**2, VT)
|
| 1038 |
+
|
| 1039 |
+
warn_cov = False
|
| 1040 |
+
if pcov is None or np.isnan(pcov).any():
|
| 1041 |
+
# indeterminate covariance
|
| 1042 |
+
pcov = zeros((len(popt), len(popt)), dtype=float)
|
| 1043 |
+
pcov.fill(inf)
|
| 1044 |
+
warn_cov = True
|
| 1045 |
+
elif not absolute_sigma:
|
| 1046 |
+
if ysize > p0.size:
|
| 1047 |
+
s_sq = cost / (ysize - p0.size)
|
| 1048 |
+
pcov = pcov * s_sq
|
| 1049 |
+
else:
|
| 1050 |
+
pcov.fill(inf)
|
| 1051 |
+
warn_cov = True
|
| 1052 |
+
|
| 1053 |
+
if warn_cov:
|
| 1054 |
+
warnings.warn('Covariance of the parameters could not be estimated',
|
| 1055 |
+
category=OptimizeWarning, stacklevel=2)
|
| 1056 |
+
|
| 1057 |
+
if full_output:
|
| 1058 |
+
return popt, pcov, infodict, errmsg, ier
|
| 1059 |
+
else:
|
| 1060 |
+
return popt, pcov
|
| 1061 |
+
|
| 1062 |
+
|
| 1063 |
+
def check_gradient(fcn, Dfcn, x0, args=(), col_deriv=0):
|
| 1064 |
+
"""Perform a simple check on the gradient for correctness.
|
| 1065 |
+
|
| 1066 |
+
"""
|
| 1067 |
+
|
| 1068 |
+
x = atleast_1d(x0)
|
| 1069 |
+
n = len(x)
|
| 1070 |
+
x = x.reshape((n,))
|
| 1071 |
+
fvec = atleast_1d(fcn(x, *args))
|
| 1072 |
+
m = len(fvec)
|
| 1073 |
+
fvec = fvec.reshape((m,))
|
| 1074 |
+
ldfjac = m
|
| 1075 |
+
fjac = atleast_1d(Dfcn(x, *args))
|
| 1076 |
+
fjac = fjac.reshape((m, n))
|
| 1077 |
+
if col_deriv == 0:
|
| 1078 |
+
fjac = transpose(fjac)
|
| 1079 |
+
|
| 1080 |
+
xp = zeros((n,), float)
|
| 1081 |
+
err = zeros((m,), float)
|
| 1082 |
+
fvecp = None
|
| 1083 |
+
_minpack._chkder(m, n, x, fvec, fjac, ldfjac, xp, fvecp, 1, err)
|
| 1084 |
+
|
| 1085 |
+
fvecp = atleast_1d(fcn(xp, *args))
|
| 1086 |
+
fvecp = fvecp.reshape((m,))
|
| 1087 |
+
_minpack._chkder(m, n, x, fvec, fjac, ldfjac, xp, fvecp, 2, err)
|
| 1088 |
+
|
| 1089 |
+
good = (prod(greater(err, 0.5), axis=0))
|
| 1090 |
+
|
| 1091 |
+
return (good, err)
|
| 1092 |
+
|
| 1093 |
+
|
| 1094 |
+
def _del2(p0, p1, d):
|
| 1095 |
+
return p0 - np.square(p1 - p0) / d
|
| 1096 |
+
|
| 1097 |
+
|
| 1098 |
+
def _relerr(actual, desired):
|
| 1099 |
+
return (actual - desired) / desired
|
| 1100 |
+
|
| 1101 |
+
|
| 1102 |
+
def _fixed_point_helper(func, x0, args, xtol, maxiter, use_accel):
|
| 1103 |
+
p0 = x0
|
| 1104 |
+
for i in range(maxiter):
|
| 1105 |
+
p1 = func(p0, *args)
|
| 1106 |
+
if use_accel:
|
| 1107 |
+
p2 = func(p1, *args)
|
| 1108 |
+
d = p2 - 2.0 * p1 + p0
|
| 1109 |
+
p = _lazywhere(d != 0, (p0, p1, d), f=_del2, fillvalue=p2)
|
| 1110 |
+
else:
|
| 1111 |
+
p = p1
|
| 1112 |
+
relerr = _lazywhere(p0 != 0, (p, p0), f=_relerr, fillvalue=p)
|
| 1113 |
+
if np.all(np.abs(relerr) < xtol):
|
| 1114 |
+
return p
|
| 1115 |
+
p0 = p
|
| 1116 |
+
msg = "Failed to converge after %d iterations, value is %s" % (maxiter, p)
|
| 1117 |
+
raise RuntimeError(msg)
|
| 1118 |
+
|
| 1119 |
+
|
| 1120 |
+
def fixed_point(func, x0, args=(), xtol=1e-8, maxiter=500, method='del2'):
|
| 1121 |
+
"""
|
| 1122 |
+
Find a fixed point of the function.
|
| 1123 |
+
|
| 1124 |
+
Given a function of one or more variables and a starting point, find a
|
| 1125 |
+
fixed point of the function: i.e., where ``func(x0) == x0``.
|
| 1126 |
+
|
| 1127 |
+
Parameters
|
| 1128 |
+
----------
|
| 1129 |
+
func : function
|
| 1130 |
+
Function to evaluate.
|
| 1131 |
+
x0 : array_like
|
| 1132 |
+
Fixed point of function.
|
| 1133 |
+
args : tuple, optional
|
| 1134 |
+
Extra arguments to `func`.
|
| 1135 |
+
xtol : float, optional
|
| 1136 |
+
Convergence tolerance, defaults to 1e-08.
|
| 1137 |
+
maxiter : int, optional
|
| 1138 |
+
Maximum number of iterations, defaults to 500.
|
| 1139 |
+
method : {"del2", "iteration"}, optional
|
| 1140 |
+
Method of finding the fixed-point, defaults to "del2",
|
| 1141 |
+
which uses Steffensen's Method with Aitken's ``Del^2``
|
| 1142 |
+
convergence acceleration [1]_. The "iteration" method simply iterates
|
| 1143 |
+
the function until convergence is detected, without attempting to
|
| 1144 |
+
accelerate the convergence.
|
| 1145 |
+
|
| 1146 |
+
References
|
| 1147 |
+
----------
|
| 1148 |
+
.. [1] Burden, Faires, "Numerical Analysis", 5th edition, pg. 80
|
| 1149 |
+
|
| 1150 |
+
Examples
|
| 1151 |
+
--------
|
| 1152 |
+
>>> import numpy as np
|
| 1153 |
+
>>> from scipy import optimize
|
| 1154 |
+
>>> def func(x, c1, c2):
|
| 1155 |
+
... return np.sqrt(c1/(x+c2))
|
| 1156 |
+
>>> c1 = np.array([10,12.])
|
| 1157 |
+
>>> c2 = np.array([3, 5.])
|
| 1158 |
+
>>> optimize.fixed_point(func, [1.2, 1.3], args=(c1,c2))
|
| 1159 |
+
array([ 1.4920333 , 1.37228132])
|
| 1160 |
+
|
| 1161 |
+
"""
|
| 1162 |
+
use_accel = {'del2': True, 'iteration': False}[method]
|
| 1163 |
+
x0 = _asarray_validated(x0, as_inexact=True)
|
| 1164 |
+
return _fixed_point_helper(func, x0, args, xtol, maxiter, use_accel)
|
vila/lib/python3.10/site-packages/scipy/optimize/_moduleTNC.cpython-310-x86_64-linux-gnu.so
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:d7584b3d74b2c7f2804c049af2291355762236b8a294520a6c7a83085ac11544
|
| 3 |
+
size 152168
|
vila/lib/python3.10/site-packages/scipy/optimize/_nnls.py
ADDED
|
@@ -0,0 +1,164 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
from scipy.linalg import solve, LinAlgWarning
|
| 3 |
+
import warnings
|
| 4 |
+
|
| 5 |
+
__all__ = ['nnls']
|
| 6 |
+
|
| 7 |
+
|
| 8 |
+
def nnls(A, b, maxiter=None, *, atol=None):
|
| 9 |
+
"""
|
| 10 |
+
Solve ``argmin_x || Ax - b ||_2`` for ``x>=0``.
|
| 11 |
+
|
| 12 |
+
This problem, often called as NonNegative Least Squares, is a convex
|
| 13 |
+
optimization problem with convex constraints. It typically arises when
|
| 14 |
+
the ``x`` models quantities for which only nonnegative values are
|
| 15 |
+
attainable; weight of ingredients, component costs and so on.
|
| 16 |
+
|
| 17 |
+
Parameters
|
| 18 |
+
----------
|
| 19 |
+
A : (m, n) ndarray
|
| 20 |
+
Coefficient array
|
| 21 |
+
b : (m,) ndarray, float
|
| 22 |
+
Right-hand side vector.
|
| 23 |
+
maxiter: int, optional
|
| 24 |
+
Maximum number of iterations, optional. Default value is ``3 * n``.
|
| 25 |
+
atol: float
|
| 26 |
+
Tolerance value used in the algorithm to assess closeness to zero in
|
| 27 |
+
the projected residual ``(A.T @ (A x - b)`` entries. Increasing this
|
| 28 |
+
value relaxes the solution constraints. A typical relaxation value can
|
| 29 |
+
be selected as ``max(m, n) * np.linalg.norm(a, 1) * np.spacing(1.)``.
|
| 30 |
+
This value is not set as default since the norm operation becomes
|
| 31 |
+
expensive for large problems hence can be used only when necessary.
|
| 32 |
+
|
| 33 |
+
Returns
|
| 34 |
+
-------
|
| 35 |
+
x : ndarray
|
| 36 |
+
Solution vector.
|
| 37 |
+
rnorm : float
|
| 38 |
+
The 2-norm of the residual, ``|| Ax-b ||_2``.
|
| 39 |
+
|
| 40 |
+
See Also
|
| 41 |
+
--------
|
| 42 |
+
lsq_linear : Linear least squares with bounds on the variables
|
| 43 |
+
|
| 44 |
+
Notes
|
| 45 |
+
-----
|
| 46 |
+
The code is based on [2]_ which is an improved version of the classical
|
| 47 |
+
algorithm of [1]_. It utilizes an active set method and solves the KKT
|
| 48 |
+
(Karush-Kuhn-Tucker) conditions for the non-negative least squares problem.
|
| 49 |
+
|
| 50 |
+
References
|
| 51 |
+
----------
|
| 52 |
+
.. [1] : Lawson C., Hanson R.J., "Solving Least Squares Problems", SIAM,
|
| 53 |
+
1995, :doi:`10.1137/1.9781611971217`
|
| 54 |
+
.. [2] : Bro, Rasmus and de Jong, Sijmen, "A Fast Non-Negativity-
|
| 55 |
+
Constrained Least Squares Algorithm", Journal Of Chemometrics, 1997,
|
| 56 |
+
:doi:`10.1002/(SICI)1099-128X(199709/10)11:5<393::AID-CEM483>3.0.CO;2-L`
|
| 57 |
+
|
| 58 |
+
Examples
|
| 59 |
+
--------
|
| 60 |
+
>>> import numpy as np
|
| 61 |
+
>>> from scipy.optimize import nnls
|
| 62 |
+
...
|
| 63 |
+
>>> A = np.array([[1, 0], [1, 0], [0, 1]])
|
| 64 |
+
>>> b = np.array([2, 1, 1])
|
| 65 |
+
>>> nnls(A, b)
|
| 66 |
+
(array([1.5, 1. ]), 0.7071067811865475)
|
| 67 |
+
|
| 68 |
+
>>> b = np.array([-1, -1, -1])
|
| 69 |
+
>>> nnls(A, b)
|
| 70 |
+
(array([0., 0.]), 1.7320508075688772)
|
| 71 |
+
|
| 72 |
+
"""
|
| 73 |
+
|
| 74 |
+
A = np.asarray_chkfinite(A)
|
| 75 |
+
b = np.asarray_chkfinite(b)
|
| 76 |
+
|
| 77 |
+
if len(A.shape) != 2:
|
| 78 |
+
raise ValueError("Expected a two-dimensional array (matrix)" +
|
| 79 |
+
f", but the shape of A is {A.shape}")
|
| 80 |
+
if len(b.shape) != 1:
|
| 81 |
+
raise ValueError("Expected a one-dimensional array (vector)" +
|
| 82 |
+
f", but the shape of b is {b.shape}")
|
| 83 |
+
|
| 84 |
+
m, n = A.shape
|
| 85 |
+
|
| 86 |
+
if m != b.shape[0]:
|
| 87 |
+
raise ValueError(
|
| 88 |
+
"Incompatible dimensions. The first dimension of " +
|
| 89 |
+
f"A is {m}, while the shape of b is {(b.shape[0], )}")
|
| 90 |
+
|
| 91 |
+
x, rnorm, mode = _nnls(A, b, maxiter, tol=atol)
|
| 92 |
+
if mode != 1:
|
| 93 |
+
raise RuntimeError("Maximum number of iterations reached.")
|
| 94 |
+
|
| 95 |
+
return x, rnorm
|
| 96 |
+
|
| 97 |
+
|
| 98 |
+
def _nnls(A, b, maxiter=None, tol=None):
|
| 99 |
+
"""
|
| 100 |
+
This is a single RHS algorithm from ref [2] above. For multiple RHS
|
| 101 |
+
support, the algorithm is given in :doi:`10.1002/cem.889`
|
| 102 |
+
"""
|
| 103 |
+
m, n = A.shape
|
| 104 |
+
|
| 105 |
+
AtA = A.T @ A
|
| 106 |
+
Atb = b @ A # Result is 1D - let NumPy figure it out
|
| 107 |
+
|
| 108 |
+
if not maxiter:
|
| 109 |
+
maxiter = 3*n
|
| 110 |
+
if tol is None:
|
| 111 |
+
tol = 10 * max(m, n) * np.spacing(1.)
|
| 112 |
+
|
| 113 |
+
# Initialize vars
|
| 114 |
+
x = np.zeros(n, dtype=np.float64)
|
| 115 |
+
s = np.zeros(n, dtype=np.float64)
|
| 116 |
+
# Inactive constraint switches
|
| 117 |
+
P = np.zeros(n, dtype=bool)
|
| 118 |
+
|
| 119 |
+
# Projected residual
|
| 120 |
+
w = Atb.copy().astype(np.float64) # x=0. Skip (-AtA @ x) term
|
| 121 |
+
|
| 122 |
+
# Overall iteration counter
|
| 123 |
+
# Outer loop is not counted, inner iter is counted across outer spins
|
| 124 |
+
iter = 0
|
| 125 |
+
|
| 126 |
+
while (not P.all()) and (w[~P] > tol).any(): # B
|
| 127 |
+
# Get the "most" active coeff index and move to inactive set
|
| 128 |
+
k = np.argmax(w * (~P)) # B.2
|
| 129 |
+
P[k] = True # B.3
|
| 130 |
+
|
| 131 |
+
# Iteration solution
|
| 132 |
+
s[:] = 0.
|
| 133 |
+
# B.4
|
| 134 |
+
with warnings.catch_warnings():
|
| 135 |
+
warnings.filterwarnings('ignore', message='Ill-conditioned matrix',
|
| 136 |
+
category=LinAlgWarning)
|
| 137 |
+
s[P] = solve(AtA[np.ix_(P, P)], Atb[P], assume_a='sym', check_finite=False)
|
| 138 |
+
|
| 139 |
+
# Inner loop
|
| 140 |
+
while (iter < maxiter) and (s[P].min() < 0): # C.1
|
| 141 |
+
iter += 1
|
| 142 |
+
inds = P * (s < 0)
|
| 143 |
+
alpha = (x[inds] / (x[inds] - s[inds])).min() # C.2
|
| 144 |
+
x *= (1 - alpha)
|
| 145 |
+
x += alpha*s
|
| 146 |
+
P[x <= tol] = False
|
| 147 |
+
with warnings.catch_warnings():
|
| 148 |
+
warnings.filterwarnings('ignore', message='Ill-conditioned matrix',
|
| 149 |
+
category=LinAlgWarning)
|
| 150 |
+
s[P] = solve(AtA[np.ix_(P, P)], Atb[P], assume_a='sym',
|
| 151 |
+
check_finite=False)
|
| 152 |
+
s[~P] = 0 # C.6
|
| 153 |
+
|
| 154 |
+
x[:] = s[:]
|
| 155 |
+
w[:] = Atb - AtA @ x
|
| 156 |
+
|
| 157 |
+
if iter == maxiter:
|
| 158 |
+
# Typically following line should return
|
| 159 |
+
# return x, np.linalg.norm(A@x - b), -1
|
| 160 |
+
# however at the top level, -1 raises an exception wasting norm
|
| 161 |
+
# Instead return dummy number 0.
|
| 162 |
+
return x, 0., -1
|
| 163 |
+
|
| 164 |
+
return x, np.linalg.norm(A@x - b), 1
|
vila/lib/python3.10/site-packages/scipy/optimize/_nonlin.py
ADDED
|
@@ -0,0 +1,1585 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
| 1 |
+
# Copyright (C) 2009, Pauli Virtanen <pav@iki.fi>
|
| 2 |
+
# Distributed under the same license as SciPy.
|
| 3 |
+
|
| 4 |
+
import inspect
|
| 5 |
+
import sys
|
| 6 |
+
import warnings
|
| 7 |
+
|
| 8 |
+
import numpy as np
|
| 9 |
+
from numpy import asarray, dot, vdot
|
| 10 |
+
|
| 11 |
+
from scipy.linalg import norm, solve, inv, qr, svd, LinAlgError
|
| 12 |
+
import scipy.sparse.linalg
|
| 13 |
+
import scipy.sparse
|
| 14 |
+
from scipy.linalg import get_blas_funcs
|
| 15 |
+
from scipy._lib._util import copy_if_needed
|
| 16 |
+
from scipy._lib._util import getfullargspec_no_self as _getfullargspec
|
| 17 |
+
from ._linesearch import scalar_search_wolfe1, scalar_search_armijo
|
| 18 |
+
|
| 19 |
+
|
| 20 |
+
__all__ = [
|
| 21 |
+
'broyden1', 'broyden2', 'anderson', 'linearmixing',
|
| 22 |
+
'diagbroyden', 'excitingmixing', 'newton_krylov',
|
| 23 |
+
'BroydenFirst', 'KrylovJacobian', 'InverseJacobian', 'NoConvergence']
|
| 24 |
+
|
| 25 |
+
#------------------------------------------------------------------------------
|
| 26 |
+
# Utility functions
|
| 27 |
+
#------------------------------------------------------------------------------
|
| 28 |
+
|
| 29 |
+
|
| 30 |
+
class NoConvergence(Exception):
|
| 31 |
+
"""Exception raised when nonlinear solver fails to converge within the specified
|
| 32 |
+
`maxiter`."""
|
| 33 |
+
pass
|
| 34 |
+
|
| 35 |
+
|
| 36 |
+
def maxnorm(x):
|
| 37 |
+
return np.absolute(x).max()
|
| 38 |
+
|
| 39 |
+
|
| 40 |
+
def _as_inexact(x):
|
| 41 |
+
"""Return `x` as an array, of either floats or complex floats"""
|
| 42 |
+
x = asarray(x)
|
| 43 |
+
if not np.issubdtype(x.dtype, np.inexact):
|
| 44 |
+
return asarray(x, dtype=np.float64)
|
| 45 |
+
return x
|
| 46 |
+
|
| 47 |
+
|
| 48 |
+
def _array_like(x, x0):
|
| 49 |
+
"""Return ndarray `x` as same array subclass and shape as `x0`"""
|
| 50 |
+
x = np.reshape(x, np.shape(x0))
|
| 51 |
+
wrap = getattr(x0, '__array_wrap__', x.__array_wrap__)
|
| 52 |
+
return wrap(x)
|
| 53 |
+
|
| 54 |
+
|
| 55 |
+
def _safe_norm(v):
|
| 56 |
+
if not np.isfinite(v).all():
|
| 57 |
+
return np.array(np.inf)
|
| 58 |
+
return norm(v)
|
| 59 |
+
|
| 60 |
+
#------------------------------------------------------------------------------
|
| 61 |
+
# Generic nonlinear solver machinery
|
| 62 |
+
#------------------------------------------------------------------------------
|
| 63 |
+
|
| 64 |
+
|
| 65 |
+
_doc_parts = dict(
|
| 66 |
+
params_basic="""
|
| 67 |
+
F : function(x) -> f
|
| 68 |
+
Function whose root to find; should take and return an array-like
|
| 69 |
+
object.
|
| 70 |
+
xin : array_like
|
| 71 |
+
Initial guess for the solution
|
| 72 |
+
""".strip(),
|
| 73 |
+
params_extra="""
|
| 74 |
+
iter : int, optional
|
| 75 |
+
Number of iterations to make. If omitted (default), make as many
|
| 76 |
+
as required to meet tolerances.
|
| 77 |
+
verbose : bool, optional
|
| 78 |
+
Print status to stdout on every iteration.
|
| 79 |
+
maxiter : int, optional
|
| 80 |
+
Maximum number of iterations to make. If more are needed to
|
| 81 |
+
meet convergence, `NoConvergence` is raised.
|
| 82 |
+
f_tol : float, optional
|
| 83 |
+
Absolute tolerance (in max-norm) for the residual.
|
| 84 |
+
If omitted, default is 6e-6.
|
| 85 |
+
f_rtol : float, optional
|
| 86 |
+
Relative tolerance for the residual. If omitted, not used.
|
| 87 |
+
x_tol : float, optional
|
| 88 |
+
Absolute minimum step size, as determined from the Jacobian
|
| 89 |
+
approximation. If the step size is smaller than this, optimization
|
| 90 |
+
is terminated as successful. If omitted, not used.
|
| 91 |
+
x_rtol : float, optional
|
| 92 |
+
Relative minimum step size. If omitted, not used.
|
| 93 |
+
tol_norm : function(vector) -> scalar, optional
|
| 94 |
+
Norm to use in convergence check. Default is the maximum norm.
|
| 95 |
+
line_search : {None, 'armijo' (default), 'wolfe'}, optional
|
| 96 |
+
Which type of a line search to use to determine the step size in the
|
| 97 |
+
direction given by the Jacobian approximation. Defaults to 'armijo'.
|
| 98 |
+
callback : function, optional
|
| 99 |
+
Optional callback function. It is called on every iteration as
|
| 100 |
+
``callback(x, f)`` where `x` is the current solution and `f`
|
| 101 |
+
the corresponding residual.
|
| 102 |
+
|
| 103 |
+
Returns
|
| 104 |
+
-------
|
| 105 |
+
sol : ndarray
|
| 106 |
+
An array (of similar array type as `x0`) containing the final solution.
|
| 107 |
+
|
| 108 |
+
Raises
|
| 109 |
+
------
|
| 110 |
+
NoConvergence
|
| 111 |
+
When a solution was not found.
|
| 112 |
+
|
| 113 |
+
""".strip()
|
| 114 |
+
)
|
| 115 |
+
|
| 116 |
+
|
| 117 |
+
def _set_doc(obj):
|
| 118 |
+
if obj.__doc__:
|
| 119 |
+
obj.__doc__ = obj.__doc__ % _doc_parts
|
| 120 |
+
|
| 121 |
+
|
| 122 |
+
def nonlin_solve(F, x0, jacobian='krylov', iter=None, verbose=False,
|
| 123 |
+
maxiter=None, f_tol=None, f_rtol=None, x_tol=None, x_rtol=None,
|
| 124 |
+
tol_norm=None, line_search='armijo', callback=None,
|
| 125 |
+
full_output=False, raise_exception=True):
|
| 126 |
+
"""
|
| 127 |
+
Find a root of a function, in a way suitable for large-scale problems.
|
| 128 |
+
|
| 129 |
+
Parameters
|
| 130 |
+
----------
|
| 131 |
+
%(params_basic)s
|
| 132 |
+
jacobian : Jacobian
|
| 133 |
+
A Jacobian approximation: `Jacobian` object or something that
|
| 134 |
+
`asjacobian` can transform to one. Alternatively, a string specifying
|
| 135 |
+
which of the builtin Jacobian approximations to use:
|
| 136 |
+
|
| 137 |
+
krylov, broyden1, broyden2, anderson
|
| 138 |
+
diagbroyden, linearmixing, excitingmixing
|
| 139 |
+
|
| 140 |
+
%(params_extra)s
|
| 141 |
+
full_output : bool
|
| 142 |
+
If true, returns a dictionary `info` containing convergence
|
| 143 |
+
information.
|
| 144 |
+
raise_exception : bool
|
| 145 |
+
If True, a `NoConvergence` exception is raise if no solution is found.
|
| 146 |
+
|
| 147 |
+
See Also
|
| 148 |
+
--------
|
| 149 |
+
asjacobian, Jacobian
|
| 150 |
+
|
| 151 |
+
Notes
|
| 152 |
+
-----
|
| 153 |
+
This algorithm implements the inexact Newton method, with
|
| 154 |
+
backtracking or full line searches. Several Jacobian
|
| 155 |
+
approximations are available, including Krylov and Quasi-Newton
|
| 156 |
+
methods.
|
| 157 |
+
|
| 158 |
+
References
|
| 159 |
+
----------
|
| 160 |
+
.. [KIM] C. T. Kelley, \"Iterative Methods for Linear and Nonlinear
|
| 161 |
+
Equations\". Society for Industrial and Applied Mathematics. (1995)
|
| 162 |
+
https://archive.siam.org/books/kelley/fr16/
|
| 163 |
+
|
| 164 |
+
"""
|
| 165 |
+
# Can't use default parameters because it's being explicitly passed as None
|
| 166 |
+
# from the calling function, so we need to set it here.
|
| 167 |
+
tol_norm = maxnorm if tol_norm is None else tol_norm
|
| 168 |
+
condition = TerminationCondition(f_tol=f_tol, f_rtol=f_rtol,
|
| 169 |
+
x_tol=x_tol, x_rtol=x_rtol,
|
| 170 |
+
iter=iter, norm=tol_norm)
|
| 171 |
+
|
| 172 |
+
x0 = _as_inexact(x0)
|
| 173 |
+
def func(z):
|
| 174 |
+
return _as_inexact(F(_array_like(z, x0))).flatten()
|
| 175 |
+
x = x0.flatten()
|
| 176 |
+
|
| 177 |
+
dx = np.full_like(x, np.inf)
|
| 178 |
+
Fx = func(x)
|
| 179 |
+
Fx_norm = norm(Fx)
|
| 180 |
+
|
| 181 |
+
jacobian = asjacobian(jacobian)
|
| 182 |
+
jacobian.setup(x.copy(), Fx, func)
|
| 183 |
+
|
| 184 |
+
if maxiter is None:
|
| 185 |
+
if iter is not None:
|
| 186 |
+
maxiter = iter + 1
|
| 187 |
+
else:
|
| 188 |
+
maxiter = 100*(x.size+1)
|
| 189 |
+
|
| 190 |
+
if line_search is True:
|
| 191 |
+
line_search = 'armijo'
|
| 192 |
+
elif line_search is False:
|
| 193 |
+
line_search = None
|
| 194 |
+
|
| 195 |
+
if line_search not in (None, 'armijo', 'wolfe'):
|
| 196 |
+
raise ValueError("Invalid line search")
|
| 197 |
+
|
| 198 |
+
# Solver tolerance selection
|
| 199 |
+
gamma = 0.9
|
| 200 |
+
eta_max = 0.9999
|
| 201 |
+
eta_treshold = 0.1
|
| 202 |
+
eta = 1e-3
|
| 203 |
+
|
| 204 |
+
for n in range(maxiter):
|
| 205 |
+
status = condition.check(Fx, x, dx)
|
| 206 |
+
if status:
|
| 207 |
+
break
|
| 208 |
+
|
| 209 |
+
# The tolerance, as computed for scipy.sparse.linalg.* routines
|
| 210 |
+
tol = min(eta, eta*Fx_norm)
|
| 211 |
+
dx = -jacobian.solve(Fx, tol=tol)
|
| 212 |
+
|
| 213 |
+
if norm(dx) == 0:
|
| 214 |
+
raise ValueError("Jacobian inversion yielded zero vector. "
|
| 215 |
+
"This indicates a bug in the Jacobian "
|
| 216 |
+
"approximation.")
|
| 217 |
+
|
| 218 |
+
# Line search, or Newton step
|
| 219 |
+
if line_search:
|
| 220 |
+
s, x, Fx, Fx_norm_new = _nonlin_line_search(func, x, Fx, dx,
|
| 221 |
+
line_search)
|
| 222 |
+
else:
|
| 223 |
+
s = 1.0
|
| 224 |
+
x = x + dx
|
| 225 |
+
Fx = func(x)
|
| 226 |
+
Fx_norm_new = norm(Fx)
|
| 227 |
+
|
| 228 |
+
jacobian.update(x.copy(), Fx)
|
| 229 |
+
|
| 230 |
+
if callback:
|
| 231 |
+
callback(x, Fx)
|
| 232 |
+
|
| 233 |
+
# Adjust forcing parameters for inexact methods
|
| 234 |
+
eta_A = gamma * Fx_norm_new**2 / Fx_norm**2
|
| 235 |
+
if gamma * eta**2 < eta_treshold:
|
| 236 |
+
eta = min(eta_max, eta_A)
|
| 237 |
+
else:
|
| 238 |
+
eta = min(eta_max, max(eta_A, gamma*eta**2))
|
| 239 |
+
|
| 240 |
+
Fx_norm = Fx_norm_new
|
| 241 |
+
|
| 242 |
+
# Print status
|
| 243 |
+
if verbose:
|
| 244 |
+
sys.stdout.write("%d: |F(x)| = %g; step %g\n" % (
|
| 245 |
+
n, tol_norm(Fx), s))
|
| 246 |
+
sys.stdout.flush()
|
| 247 |
+
else:
|
| 248 |
+
if raise_exception:
|
| 249 |
+
raise NoConvergence(_array_like(x, x0))
|
| 250 |
+
else:
|
| 251 |
+
status = 2
|
| 252 |
+
|
| 253 |
+
if full_output:
|
| 254 |
+
info = {'nit': condition.iteration,
|
| 255 |
+
'fun': Fx,
|
| 256 |
+
'status': status,
|
| 257 |
+
'success': status == 1,
|
| 258 |
+
'message': {1: 'A solution was found at the specified '
|
| 259 |
+
'tolerance.',
|
| 260 |
+
2: 'The maximum number of iterations allowed '
|
| 261 |
+
'has been reached.'
|
| 262 |
+
}[status]
|
| 263 |
+
}
|
| 264 |
+
return _array_like(x, x0), info
|
| 265 |
+
else:
|
| 266 |
+
return _array_like(x, x0)
|
| 267 |
+
|
| 268 |
+
|
| 269 |
+
_set_doc(nonlin_solve)
|
| 270 |
+
|
| 271 |
+
|
| 272 |
+
def _nonlin_line_search(func, x, Fx, dx, search_type='armijo', rdiff=1e-8,
|
| 273 |
+
smin=1e-2):
|
| 274 |
+
tmp_s = [0]
|
| 275 |
+
tmp_Fx = [Fx]
|
| 276 |
+
tmp_phi = [norm(Fx)**2]
|
| 277 |
+
s_norm = norm(x) / norm(dx)
|
| 278 |
+
|
| 279 |
+
def phi(s, store=True):
|
| 280 |
+
if s == tmp_s[0]:
|
| 281 |
+
return tmp_phi[0]
|
| 282 |
+
xt = x + s*dx
|
| 283 |
+
v = func(xt)
|
| 284 |
+
p = _safe_norm(v)**2
|
| 285 |
+
if store:
|
| 286 |
+
tmp_s[0] = s
|
| 287 |
+
tmp_phi[0] = p
|
| 288 |
+
tmp_Fx[0] = v
|
| 289 |
+
return p
|
| 290 |
+
|
| 291 |
+
def derphi(s):
|
| 292 |
+
ds = (abs(s) + s_norm + 1) * rdiff
|
| 293 |
+
return (phi(s+ds, store=False) - phi(s)) / ds
|
| 294 |
+
|
| 295 |
+
if search_type == 'wolfe':
|
| 296 |
+
s, phi1, phi0 = scalar_search_wolfe1(phi, derphi, tmp_phi[0],
|
| 297 |
+
xtol=1e-2, amin=smin)
|
| 298 |
+
elif search_type == 'armijo':
|
| 299 |
+
s, phi1 = scalar_search_armijo(phi, tmp_phi[0], -tmp_phi[0],
|
| 300 |
+
amin=smin)
|
| 301 |
+
|
| 302 |
+
if s is None:
|
| 303 |
+
# XXX: No suitable step length found. Take the full Newton step,
|
| 304 |
+
# and hope for the best.
|
| 305 |
+
s = 1.0
|
| 306 |
+
|
| 307 |
+
x = x + s*dx
|
| 308 |
+
if s == tmp_s[0]:
|
| 309 |
+
Fx = tmp_Fx[0]
|
| 310 |
+
else:
|
| 311 |
+
Fx = func(x)
|
| 312 |
+
Fx_norm = norm(Fx)
|
| 313 |
+
|
| 314 |
+
return s, x, Fx, Fx_norm
|
| 315 |
+
|
| 316 |
+
|
| 317 |
+
class TerminationCondition:
|
| 318 |
+
"""
|
| 319 |
+
Termination condition for an iteration. It is terminated if
|
| 320 |
+
|
| 321 |
+
- |F| < f_rtol*|F_0|, AND
|
| 322 |
+
- |F| < f_tol
|
| 323 |
+
|
| 324 |
+
AND
|
| 325 |
+
|
| 326 |
+
- |dx| < x_rtol*|x|, AND
|
| 327 |
+
- |dx| < x_tol
|
| 328 |
+
|
| 329 |
+
"""
|
| 330 |
+
def __init__(self, f_tol=None, f_rtol=None, x_tol=None, x_rtol=None,
|
| 331 |
+
iter=None, norm=maxnorm):
|
| 332 |
+
|
| 333 |
+
if f_tol is None:
|
| 334 |
+
f_tol = np.finfo(np.float64).eps ** (1./3)
|
| 335 |
+
if f_rtol is None:
|
| 336 |
+
f_rtol = np.inf
|
| 337 |
+
if x_tol is None:
|
| 338 |
+
x_tol = np.inf
|
| 339 |
+
if x_rtol is None:
|
| 340 |
+
x_rtol = np.inf
|
| 341 |
+
|
| 342 |
+
self.x_tol = x_tol
|
| 343 |
+
self.x_rtol = x_rtol
|
| 344 |
+
self.f_tol = f_tol
|
| 345 |
+
self.f_rtol = f_rtol
|
| 346 |
+
|
| 347 |
+
self.norm = norm
|
| 348 |
+
|
| 349 |
+
self.iter = iter
|
| 350 |
+
|
| 351 |
+
self.f0_norm = None
|
| 352 |
+
self.iteration = 0
|
| 353 |
+
|
| 354 |
+
def check(self, f, x, dx):
|
| 355 |
+
self.iteration += 1
|
| 356 |
+
f_norm = self.norm(f)
|
| 357 |
+
x_norm = self.norm(x)
|
| 358 |
+
dx_norm = self.norm(dx)
|
| 359 |
+
|
| 360 |
+
if self.f0_norm is None:
|
| 361 |
+
self.f0_norm = f_norm
|
| 362 |
+
|
| 363 |
+
if f_norm == 0:
|
| 364 |
+
return 1
|
| 365 |
+
|
| 366 |
+
if self.iter is not None:
|
| 367 |
+
# backwards compatibility with SciPy 0.6.0
|
| 368 |
+
return 2 * (self.iteration > self.iter)
|
| 369 |
+
|
| 370 |
+
# NB: condition must succeed for rtol=inf even if norm == 0
|
| 371 |
+
return int((f_norm <= self.f_tol
|
| 372 |
+
and f_norm/self.f_rtol <= self.f0_norm)
|
| 373 |
+
and (dx_norm <= self.x_tol
|
| 374 |
+
and dx_norm/self.x_rtol <= x_norm))
|
| 375 |
+
|
| 376 |
+
|
| 377 |
+
#------------------------------------------------------------------------------
|
| 378 |
+
# Generic Jacobian approximation
|
| 379 |
+
#------------------------------------------------------------------------------
|
| 380 |
+
|
| 381 |
+
class Jacobian:
|
| 382 |
+
"""
|
| 383 |
+
Common interface for Jacobians or Jacobian approximations.
|
| 384 |
+
|
| 385 |
+
The optional methods come useful when implementing trust region
|
| 386 |
+
etc., algorithms that often require evaluating transposes of the
|
| 387 |
+
Jacobian.
|
| 388 |
+
|
| 389 |
+
Methods
|
| 390 |
+
-------
|
| 391 |
+
solve
|
| 392 |
+
Returns J^-1 * v
|
| 393 |
+
update
|
| 394 |
+
Updates Jacobian to point `x` (where the function has residual `Fx`)
|
| 395 |
+
|
| 396 |
+
matvec : optional
|
| 397 |
+
Returns J * v
|
| 398 |
+
rmatvec : optional
|
| 399 |
+
Returns A^H * v
|
| 400 |
+
rsolve : optional
|
| 401 |
+
Returns A^-H * v
|
| 402 |
+
matmat : optional
|
| 403 |
+
Returns A * V, where V is a dense matrix with dimensions (N,K).
|
| 404 |
+
todense : optional
|
| 405 |
+
Form the dense Jacobian matrix. Necessary for dense trust region
|
| 406 |
+
algorithms, and useful for testing.
|
| 407 |
+
|
| 408 |
+
Attributes
|
| 409 |
+
----------
|
| 410 |
+
shape
|
| 411 |
+
Matrix dimensions (M, N)
|
| 412 |
+
dtype
|
| 413 |
+
Data type of the matrix.
|
| 414 |
+
func : callable, optional
|
| 415 |
+
Function the Jacobian corresponds to
|
| 416 |
+
|
| 417 |
+
"""
|
| 418 |
+
|
| 419 |
+
def __init__(self, **kw):
|
| 420 |
+
names = ["solve", "update", "matvec", "rmatvec", "rsolve",
|
| 421 |
+
"matmat", "todense", "shape", "dtype"]
|
| 422 |
+
for name, value in kw.items():
|
| 423 |
+
if name not in names:
|
| 424 |
+
raise ValueError("Unknown keyword argument %s" % name)
|
| 425 |
+
if value is not None:
|
| 426 |
+
setattr(self, name, kw[name])
|
| 427 |
+
|
| 428 |
+
|
| 429 |
+
if hasattr(self, "todense"):
|
| 430 |
+
def __array__(self, dtype=None, copy=None):
|
| 431 |
+
if dtype is not None:
|
| 432 |
+
raise ValueError(f"`dtype` must be None, was {dtype}")
|
| 433 |
+
return self.todense()
|
| 434 |
+
|
| 435 |
+
def aspreconditioner(self):
|
| 436 |
+
return InverseJacobian(self)
|
| 437 |
+
|
| 438 |
+
def solve(self, v, tol=0):
|
| 439 |
+
raise NotImplementedError
|
| 440 |
+
|
| 441 |
+
def update(self, x, F):
|
| 442 |
+
pass
|
| 443 |
+
|
| 444 |
+
def setup(self, x, F, func):
|
| 445 |
+
self.func = func
|
| 446 |
+
self.shape = (F.size, x.size)
|
| 447 |
+
self.dtype = F.dtype
|
| 448 |
+
if self.__class__.setup is Jacobian.setup:
|
| 449 |
+
# Call on the first point unless overridden
|
| 450 |
+
self.update(x, F)
|
| 451 |
+
|
| 452 |
+
|
| 453 |
+
class InverseJacobian:
|
| 454 |
+
def __init__(self, jacobian):
|
| 455 |
+
self.jacobian = jacobian
|
| 456 |
+
self.matvec = jacobian.solve
|
| 457 |
+
self.update = jacobian.update
|
| 458 |
+
if hasattr(jacobian, 'setup'):
|
| 459 |
+
self.setup = jacobian.setup
|
| 460 |
+
if hasattr(jacobian, 'rsolve'):
|
| 461 |
+
self.rmatvec = jacobian.rsolve
|
| 462 |
+
|
| 463 |
+
@property
|
| 464 |
+
def shape(self):
|
| 465 |
+
return self.jacobian.shape
|
| 466 |
+
|
| 467 |
+
@property
|
| 468 |
+
def dtype(self):
|
| 469 |
+
return self.jacobian.dtype
|
| 470 |
+
|
| 471 |
+
|
| 472 |
+
def asjacobian(J):
|
| 473 |
+
"""
|
| 474 |
+
Convert given object to one suitable for use as a Jacobian.
|
| 475 |
+
"""
|
| 476 |
+
spsolve = scipy.sparse.linalg.spsolve
|
| 477 |
+
if isinstance(J, Jacobian):
|
| 478 |
+
return J
|
| 479 |
+
elif inspect.isclass(J) and issubclass(J, Jacobian):
|
| 480 |
+
return J()
|
| 481 |
+
elif isinstance(J, np.ndarray):
|
| 482 |
+
if J.ndim > 2:
|
| 483 |
+
raise ValueError('array must have rank <= 2')
|
| 484 |
+
J = np.atleast_2d(np.asarray(J))
|
| 485 |
+
if J.shape[0] != J.shape[1]:
|
| 486 |
+
raise ValueError('array must be square')
|
| 487 |
+
|
| 488 |
+
return Jacobian(matvec=lambda v: dot(J, v),
|
| 489 |
+
rmatvec=lambda v: dot(J.conj().T, v),
|
| 490 |
+
solve=lambda v, tol=0: solve(J, v),
|
| 491 |
+
rsolve=lambda v, tol=0: solve(J.conj().T, v),
|
| 492 |
+
dtype=J.dtype, shape=J.shape)
|
| 493 |
+
elif scipy.sparse.issparse(J):
|
| 494 |
+
if J.shape[0] != J.shape[1]:
|
| 495 |
+
raise ValueError('matrix must be square')
|
| 496 |
+
return Jacobian(matvec=lambda v: J @ v,
|
| 497 |
+
rmatvec=lambda v: J.conj().T @ v,
|
| 498 |
+
solve=lambda v, tol=0: spsolve(J, v),
|
| 499 |
+
rsolve=lambda v, tol=0: spsolve(J.conj().T, v),
|
| 500 |
+
dtype=J.dtype, shape=J.shape)
|
| 501 |
+
elif hasattr(J, 'shape') and hasattr(J, 'dtype') and hasattr(J, 'solve'):
|
| 502 |
+
return Jacobian(matvec=getattr(J, 'matvec'),
|
| 503 |
+
rmatvec=getattr(J, 'rmatvec'),
|
| 504 |
+
solve=J.solve,
|
| 505 |
+
rsolve=getattr(J, 'rsolve'),
|
| 506 |
+
update=getattr(J, 'update'),
|
| 507 |
+
setup=getattr(J, 'setup'),
|
| 508 |
+
dtype=J.dtype,
|
| 509 |
+
shape=J.shape)
|
| 510 |
+
elif callable(J):
|
| 511 |
+
# Assume it's a function J(x) that returns the Jacobian
|
| 512 |
+
class Jac(Jacobian):
|
| 513 |
+
def update(self, x, F):
|
| 514 |
+
self.x = x
|
| 515 |
+
|
| 516 |
+
def solve(self, v, tol=0):
|
| 517 |
+
m = J(self.x)
|
| 518 |
+
if isinstance(m, np.ndarray):
|
| 519 |
+
return solve(m, v)
|
| 520 |
+
elif scipy.sparse.issparse(m):
|
| 521 |
+
return spsolve(m, v)
|
| 522 |
+
else:
|
| 523 |
+
raise ValueError("Unknown matrix type")
|
| 524 |
+
|
| 525 |
+
def matvec(self, v):
|
| 526 |
+
m = J(self.x)
|
| 527 |
+
if isinstance(m, np.ndarray):
|
| 528 |
+
return dot(m, v)
|
| 529 |
+
elif scipy.sparse.issparse(m):
|
| 530 |
+
return m @ v
|
| 531 |
+
else:
|
| 532 |
+
raise ValueError("Unknown matrix type")
|
| 533 |
+
|
| 534 |
+
def rsolve(self, v, tol=0):
|
| 535 |
+
m = J(self.x)
|
| 536 |
+
if isinstance(m, np.ndarray):
|
| 537 |
+
return solve(m.conj().T, v)
|
| 538 |
+
elif scipy.sparse.issparse(m):
|
| 539 |
+
return spsolve(m.conj().T, v)
|
| 540 |
+
else:
|
| 541 |
+
raise ValueError("Unknown matrix type")
|
| 542 |
+
|
| 543 |
+
def rmatvec(self, v):
|
| 544 |
+
m = J(self.x)
|
| 545 |
+
if isinstance(m, np.ndarray):
|
| 546 |
+
return dot(m.conj().T, v)
|
| 547 |
+
elif scipy.sparse.issparse(m):
|
| 548 |
+
return m.conj().T @ v
|
| 549 |
+
else:
|
| 550 |
+
raise ValueError("Unknown matrix type")
|
| 551 |
+
return Jac()
|
| 552 |
+
elif isinstance(J, str):
|
| 553 |
+
return dict(broyden1=BroydenFirst,
|
| 554 |
+
broyden2=BroydenSecond,
|
| 555 |
+
anderson=Anderson,
|
| 556 |
+
diagbroyden=DiagBroyden,
|
| 557 |
+
linearmixing=LinearMixing,
|
| 558 |
+
excitingmixing=ExcitingMixing,
|
| 559 |
+
krylov=KrylovJacobian)[J]()
|
| 560 |
+
else:
|
| 561 |
+
raise TypeError('Cannot convert object to a Jacobian')
|
| 562 |
+
|
| 563 |
+
|
| 564 |
+
#------------------------------------------------------------------------------
|
| 565 |
+
# Broyden
|
| 566 |
+
#------------------------------------------------------------------------------
|
| 567 |
+
|
| 568 |
+
class GenericBroyden(Jacobian):
|
| 569 |
+
def setup(self, x0, f0, func):
|
| 570 |
+
Jacobian.setup(self, x0, f0, func)
|
| 571 |
+
self.last_f = f0
|
| 572 |
+
self.last_x = x0
|
| 573 |
+
|
| 574 |
+
if hasattr(self, 'alpha') and self.alpha is None:
|
| 575 |
+
# Autoscale the initial Jacobian parameter
|
| 576 |
+
# unless we have already guessed the solution.
|
| 577 |
+
normf0 = norm(f0)
|
| 578 |
+
if normf0:
|
| 579 |
+
self.alpha = 0.5*max(norm(x0), 1) / normf0
|
| 580 |
+
else:
|
| 581 |
+
self.alpha = 1.0
|
| 582 |
+
|
| 583 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 584 |
+
raise NotImplementedError
|
| 585 |
+
|
| 586 |
+
def update(self, x, f):
|
| 587 |
+
df = f - self.last_f
|
| 588 |
+
dx = x - self.last_x
|
| 589 |
+
self._update(x, f, dx, df, norm(dx), norm(df))
|
| 590 |
+
self.last_f = f
|
| 591 |
+
self.last_x = x
|
| 592 |
+
|
| 593 |
+
|
| 594 |
+
class LowRankMatrix:
|
| 595 |
+
r"""
|
| 596 |
+
A matrix represented as
|
| 597 |
+
|
| 598 |
+
.. math:: \alpha I + \sum_{n=0}^{n=M} c_n d_n^\dagger
|
| 599 |
+
|
| 600 |
+
However, if the rank of the matrix reaches the dimension of the vectors,
|
| 601 |
+
full matrix representation will be used thereon.
|
| 602 |
+
|
| 603 |
+
"""
|
| 604 |
+
|
| 605 |
+
def __init__(self, alpha, n, dtype):
|
| 606 |
+
self.alpha = alpha
|
| 607 |
+
self.cs = []
|
| 608 |
+
self.ds = []
|
| 609 |
+
self.n = n
|
| 610 |
+
self.dtype = dtype
|
| 611 |
+
self.collapsed = None
|
| 612 |
+
|
| 613 |
+
@staticmethod
|
| 614 |
+
def _matvec(v, alpha, cs, ds):
|
| 615 |
+
axpy, scal, dotc = get_blas_funcs(['axpy', 'scal', 'dotc'],
|
| 616 |
+
cs[:1] + [v])
|
| 617 |
+
w = alpha * v
|
| 618 |
+
for c, d in zip(cs, ds):
|
| 619 |
+
a = dotc(d, v)
|
| 620 |
+
w = axpy(c, w, w.size, a)
|
| 621 |
+
return w
|
| 622 |
+
|
| 623 |
+
@staticmethod
|
| 624 |
+
def _solve(v, alpha, cs, ds):
|
| 625 |
+
"""Evaluate w = M^-1 v"""
|
| 626 |
+
if len(cs) == 0:
|
| 627 |
+
return v/alpha
|
| 628 |
+
|
| 629 |
+
# (B + C D^H)^-1 = B^-1 - B^-1 C (I + D^H B^-1 C)^-1 D^H B^-1
|
| 630 |
+
|
| 631 |
+
axpy, dotc = get_blas_funcs(['axpy', 'dotc'], cs[:1] + [v])
|
| 632 |
+
|
| 633 |
+
c0 = cs[0]
|
| 634 |
+
A = alpha * np.identity(len(cs), dtype=c0.dtype)
|
| 635 |
+
for i, d in enumerate(ds):
|
| 636 |
+
for j, c in enumerate(cs):
|
| 637 |
+
A[i,j] += dotc(d, c)
|
| 638 |
+
|
| 639 |
+
q = np.zeros(len(cs), dtype=c0.dtype)
|
| 640 |
+
for j, d in enumerate(ds):
|
| 641 |
+
q[j] = dotc(d, v)
|
| 642 |
+
q /= alpha
|
| 643 |
+
q = solve(A, q)
|
| 644 |
+
|
| 645 |
+
w = v/alpha
|
| 646 |
+
for c, qc in zip(cs, q):
|
| 647 |
+
w = axpy(c, w, w.size, -qc)
|
| 648 |
+
|
| 649 |
+
return w
|
| 650 |
+
|
| 651 |
+
def matvec(self, v):
|
| 652 |
+
"""Evaluate w = M v"""
|
| 653 |
+
if self.collapsed is not None:
|
| 654 |
+
return np.dot(self.collapsed, v)
|
| 655 |
+
return LowRankMatrix._matvec(v, self.alpha, self.cs, self.ds)
|
| 656 |
+
|
| 657 |
+
def rmatvec(self, v):
|
| 658 |
+
"""Evaluate w = M^H v"""
|
| 659 |
+
if self.collapsed is not None:
|
| 660 |
+
return np.dot(self.collapsed.T.conj(), v)
|
| 661 |
+
return LowRankMatrix._matvec(v, np.conj(self.alpha), self.ds, self.cs)
|
| 662 |
+
|
| 663 |
+
def solve(self, v, tol=0):
|
| 664 |
+
"""Evaluate w = M^-1 v"""
|
| 665 |
+
if self.collapsed is not None:
|
| 666 |
+
return solve(self.collapsed, v)
|
| 667 |
+
return LowRankMatrix._solve(v, self.alpha, self.cs, self.ds)
|
| 668 |
+
|
| 669 |
+
def rsolve(self, v, tol=0):
|
| 670 |
+
"""Evaluate w = M^-H v"""
|
| 671 |
+
if self.collapsed is not None:
|
| 672 |
+
return solve(self.collapsed.T.conj(), v)
|
| 673 |
+
return LowRankMatrix._solve(v, np.conj(self.alpha), self.ds, self.cs)
|
| 674 |
+
|
| 675 |
+
def append(self, c, d):
|
| 676 |
+
if self.collapsed is not None:
|
| 677 |
+
self.collapsed += c[:,None] * d[None,:].conj()
|
| 678 |
+
return
|
| 679 |
+
|
| 680 |
+
self.cs.append(c)
|
| 681 |
+
self.ds.append(d)
|
| 682 |
+
|
| 683 |
+
if len(self.cs) > c.size:
|
| 684 |
+
self.collapse()
|
| 685 |
+
|
| 686 |
+
def __array__(self, dtype=None, copy=None):
|
| 687 |
+
if dtype is not None:
|
| 688 |
+
warnings.warn("LowRankMatrix is scipy-internal code, `dtype` "
|
| 689 |
+
f"should only be None but was {dtype} (not handled)",
|
| 690 |
+
stacklevel=3)
|
| 691 |
+
if copy is not None:
|
| 692 |
+
warnings.warn("LowRankMatrix is scipy-internal code, `copy` "
|
| 693 |
+
f"should only be None but was {copy} (not handled)",
|
| 694 |
+
stacklevel=3)
|
| 695 |
+
if self.collapsed is not None:
|
| 696 |
+
return self.collapsed
|
| 697 |
+
|
| 698 |
+
Gm = self.alpha*np.identity(self.n, dtype=self.dtype)
|
| 699 |
+
for c, d in zip(self.cs, self.ds):
|
| 700 |
+
Gm += c[:,None]*d[None,:].conj()
|
| 701 |
+
return Gm
|
| 702 |
+
|
| 703 |
+
def collapse(self):
|
| 704 |
+
"""Collapse the low-rank matrix to a full-rank one."""
|
| 705 |
+
self.collapsed = np.array(self, copy=copy_if_needed)
|
| 706 |
+
self.cs = None
|
| 707 |
+
self.ds = None
|
| 708 |
+
self.alpha = None
|
| 709 |
+
|
| 710 |
+
def restart_reduce(self, rank):
|
| 711 |
+
"""
|
| 712 |
+
Reduce the rank of the matrix by dropping all vectors.
|
| 713 |
+
"""
|
| 714 |
+
if self.collapsed is not None:
|
| 715 |
+
return
|
| 716 |
+
assert rank > 0
|
| 717 |
+
if len(self.cs) > rank:
|
| 718 |
+
del self.cs[:]
|
| 719 |
+
del self.ds[:]
|
| 720 |
+
|
| 721 |
+
def simple_reduce(self, rank):
|
| 722 |
+
"""
|
| 723 |
+
Reduce the rank of the matrix by dropping oldest vectors.
|
| 724 |
+
"""
|
| 725 |
+
if self.collapsed is not None:
|
| 726 |
+
return
|
| 727 |
+
assert rank > 0
|
| 728 |
+
while len(self.cs) > rank:
|
| 729 |
+
del self.cs[0]
|
| 730 |
+
del self.ds[0]
|
| 731 |
+
|
| 732 |
+
def svd_reduce(self, max_rank, to_retain=None):
|
| 733 |
+
"""
|
| 734 |
+
Reduce the rank of the matrix by retaining some SVD components.
|
| 735 |
+
|
| 736 |
+
This corresponds to the \"Broyden Rank Reduction Inverse\"
|
| 737 |
+
algorithm described in [1]_.
|
| 738 |
+
|
| 739 |
+
Note that the SVD decomposition can be done by solving only a
|
| 740 |
+
problem whose size is the effective rank of this matrix, which
|
| 741 |
+
is viable even for large problems.
|
| 742 |
+
|
| 743 |
+
Parameters
|
| 744 |
+
----------
|
| 745 |
+
max_rank : int
|
| 746 |
+
Maximum rank of this matrix after reduction.
|
| 747 |
+
to_retain : int, optional
|
| 748 |
+
Number of SVD components to retain when reduction is done
|
| 749 |
+
(ie. rank > max_rank). Default is ``max_rank - 2``.
|
| 750 |
+
|
| 751 |
+
References
|
| 752 |
+
----------
|
| 753 |
+
.. [1] B.A. van der Rotten, PhD thesis,
|
| 754 |
+
\"A limited memory Broyden method to solve high-dimensional
|
| 755 |
+
systems of nonlinear equations\". Mathematisch Instituut,
|
| 756 |
+
Universiteit Leiden, The Netherlands (2003).
|
| 757 |
+
|
| 758 |
+
https://web.archive.org/web/20161022015821/http://www.math.leidenuniv.nl/scripties/Rotten.pdf
|
| 759 |
+
|
| 760 |
+
"""
|
| 761 |
+
if self.collapsed is not None:
|
| 762 |
+
return
|
| 763 |
+
|
| 764 |
+
p = max_rank
|
| 765 |
+
if to_retain is not None:
|
| 766 |
+
q = to_retain
|
| 767 |
+
else:
|
| 768 |
+
q = p - 2
|
| 769 |
+
|
| 770 |
+
if self.cs:
|
| 771 |
+
p = min(p, len(self.cs[0]))
|
| 772 |
+
q = max(0, min(q, p-1))
|
| 773 |
+
|
| 774 |
+
m = len(self.cs)
|
| 775 |
+
if m < p:
|
| 776 |
+
# nothing to do
|
| 777 |
+
return
|
| 778 |
+
|
| 779 |
+
C = np.array(self.cs).T
|
| 780 |
+
D = np.array(self.ds).T
|
| 781 |
+
|
| 782 |
+
D, R = qr(D, mode='economic')
|
| 783 |
+
C = dot(C, R.T.conj())
|
| 784 |
+
|
| 785 |
+
U, S, WH = svd(C, full_matrices=False)
|
| 786 |
+
|
| 787 |
+
C = dot(C, inv(WH))
|
| 788 |
+
D = dot(D, WH.T.conj())
|
| 789 |
+
|
| 790 |
+
for k in range(q):
|
| 791 |
+
self.cs[k] = C[:,k].copy()
|
| 792 |
+
self.ds[k] = D[:,k].copy()
|
| 793 |
+
|
| 794 |
+
del self.cs[q:]
|
| 795 |
+
del self.ds[q:]
|
| 796 |
+
|
| 797 |
+
|
| 798 |
+
_doc_parts['broyden_params'] = """
|
| 799 |
+
alpha : float, optional
|
| 800 |
+
Initial guess for the Jacobian is ``(-1/alpha)``.
|
| 801 |
+
reduction_method : str or tuple, optional
|
| 802 |
+
Method used in ensuring that the rank of the Broyden matrix
|
| 803 |
+
stays low. Can either be a string giving the name of the method,
|
| 804 |
+
or a tuple of the form ``(method, param1, param2, ...)``
|
| 805 |
+
that gives the name of the method and values for additional parameters.
|
| 806 |
+
|
| 807 |
+
Methods available:
|
| 808 |
+
|
| 809 |
+
- ``restart``: drop all matrix columns. Has no extra parameters.
|
| 810 |
+
- ``simple``: drop oldest matrix column. Has no extra parameters.
|
| 811 |
+
- ``svd``: keep only the most significant SVD components.
|
| 812 |
+
Takes an extra parameter, ``to_retain``, which determines the
|
| 813 |
+
number of SVD components to retain when rank reduction is done.
|
| 814 |
+
Default is ``max_rank - 2``.
|
| 815 |
+
|
| 816 |
+
max_rank : int, optional
|
| 817 |
+
Maximum rank for the Broyden matrix.
|
| 818 |
+
Default is infinity (i.e., no rank reduction).
|
| 819 |
+
""".strip()
|
| 820 |
+
|
| 821 |
+
|
| 822 |
+
class BroydenFirst(GenericBroyden):
|
| 823 |
+
r"""
|
| 824 |
+
Find a root of a function, using Broyden's first Jacobian approximation.
|
| 825 |
+
|
| 826 |
+
This method is also known as \"Broyden's good method\".
|
| 827 |
+
|
| 828 |
+
Parameters
|
| 829 |
+
----------
|
| 830 |
+
%(params_basic)s
|
| 831 |
+
%(broyden_params)s
|
| 832 |
+
%(params_extra)s
|
| 833 |
+
|
| 834 |
+
See Also
|
| 835 |
+
--------
|
| 836 |
+
root : Interface to root finding algorithms for multivariate
|
| 837 |
+
functions. See ``method='broyden1'`` in particular.
|
| 838 |
+
|
| 839 |
+
Notes
|
| 840 |
+
-----
|
| 841 |
+
This algorithm implements the inverse Jacobian Quasi-Newton update
|
| 842 |
+
|
| 843 |
+
.. math:: H_+ = H + (dx - H df) dx^\dagger H / ( dx^\dagger H df)
|
| 844 |
+
|
| 845 |
+
which corresponds to Broyden's first Jacobian update
|
| 846 |
+
|
| 847 |
+
.. math:: J_+ = J + (df - J dx) dx^\dagger / dx^\dagger dx
|
| 848 |
+
|
| 849 |
+
|
| 850 |
+
References
|
| 851 |
+
----------
|
| 852 |
+
.. [1] B.A. van der Rotten, PhD thesis,
|
| 853 |
+
\"A limited memory Broyden method to solve high-dimensional
|
| 854 |
+
systems of nonlinear equations\". Mathematisch Instituut,
|
| 855 |
+
Universiteit Leiden, The Netherlands (2003).
|
| 856 |
+
|
| 857 |
+
https://web.archive.org/web/20161022015821/http://www.math.leidenuniv.nl/scripties/Rotten.pdf
|
| 858 |
+
|
| 859 |
+
Examples
|
| 860 |
+
--------
|
| 861 |
+
The following functions define a system of nonlinear equations
|
| 862 |
+
|
| 863 |
+
>>> def fun(x):
|
| 864 |
+
... return [x[0] + 0.5 * (x[0] - x[1])**3 - 1.0,
|
| 865 |
+
... 0.5 * (x[1] - x[0])**3 + x[1]]
|
| 866 |
+
|
| 867 |
+
A solution can be obtained as follows.
|
| 868 |
+
|
| 869 |
+
>>> from scipy import optimize
|
| 870 |
+
>>> sol = optimize.broyden1(fun, [0, 0])
|
| 871 |
+
>>> sol
|
| 872 |
+
array([0.84116396, 0.15883641])
|
| 873 |
+
|
| 874 |
+
"""
|
| 875 |
+
|
| 876 |
+
def __init__(self, alpha=None, reduction_method='restart', max_rank=None):
|
| 877 |
+
GenericBroyden.__init__(self)
|
| 878 |
+
self.alpha = alpha
|
| 879 |
+
self.Gm = None
|
| 880 |
+
|
| 881 |
+
if max_rank is None:
|
| 882 |
+
max_rank = np.inf
|
| 883 |
+
self.max_rank = max_rank
|
| 884 |
+
|
| 885 |
+
if isinstance(reduction_method, str):
|
| 886 |
+
reduce_params = ()
|
| 887 |
+
else:
|
| 888 |
+
reduce_params = reduction_method[1:]
|
| 889 |
+
reduction_method = reduction_method[0]
|
| 890 |
+
reduce_params = (max_rank - 1,) + reduce_params
|
| 891 |
+
|
| 892 |
+
if reduction_method == 'svd':
|
| 893 |
+
self._reduce = lambda: self.Gm.svd_reduce(*reduce_params)
|
| 894 |
+
elif reduction_method == 'simple':
|
| 895 |
+
self._reduce = lambda: self.Gm.simple_reduce(*reduce_params)
|
| 896 |
+
elif reduction_method == 'restart':
|
| 897 |
+
self._reduce = lambda: self.Gm.restart_reduce(*reduce_params)
|
| 898 |
+
else:
|
| 899 |
+
raise ValueError("Unknown rank reduction method '%s'" %
|
| 900 |
+
reduction_method)
|
| 901 |
+
|
| 902 |
+
def setup(self, x, F, func):
|
| 903 |
+
GenericBroyden.setup(self, x, F, func)
|
| 904 |
+
self.Gm = LowRankMatrix(-self.alpha, self.shape[0], self.dtype)
|
| 905 |
+
|
| 906 |
+
def todense(self):
|
| 907 |
+
return inv(self.Gm)
|
| 908 |
+
|
| 909 |
+
def solve(self, f, tol=0):
|
| 910 |
+
r = self.Gm.matvec(f)
|
| 911 |
+
if not np.isfinite(r).all():
|
| 912 |
+
# singular; reset the Jacobian approximation
|
| 913 |
+
self.setup(self.last_x, self.last_f, self.func)
|
| 914 |
+
return self.Gm.matvec(f)
|
| 915 |
+
return r
|
| 916 |
+
|
| 917 |
+
def matvec(self, f):
|
| 918 |
+
return self.Gm.solve(f)
|
| 919 |
+
|
| 920 |
+
def rsolve(self, f, tol=0):
|
| 921 |
+
return self.Gm.rmatvec(f)
|
| 922 |
+
|
| 923 |
+
def rmatvec(self, f):
|
| 924 |
+
return self.Gm.rsolve(f)
|
| 925 |
+
|
| 926 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 927 |
+
self._reduce() # reduce first to preserve secant condition
|
| 928 |
+
|
| 929 |
+
v = self.Gm.rmatvec(dx)
|
| 930 |
+
c = dx - self.Gm.matvec(df)
|
| 931 |
+
d = v / vdot(df, v)
|
| 932 |
+
|
| 933 |
+
self.Gm.append(c, d)
|
| 934 |
+
|
| 935 |
+
|
| 936 |
+
class BroydenSecond(BroydenFirst):
|
| 937 |
+
"""
|
| 938 |
+
Find a root of a function, using Broyden\'s second Jacobian approximation.
|
| 939 |
+
|
| 940 |
+
This method is also known as \"Broyden's bad method\".
|
| 941 |
+
|
| 942 |
+
Parameters
|
| 943 |
+
----------
|
| 944 |
+
%(params_basic)s
|
| 945 |
+
%(broyden_params)s
|
| 946 |
+
%(params_extra)s
|
| 947 |
+
|
| 948 |
+
See Also
|
| 949 |
+
--------
|
| 950 |
+
root : Interface to root finding algorithms for multivariate
|
| 951 |
+
functions. See ``method='broyden2'`` in particular.
|
| 952 |
+
|
| 953 |
+
Notes
|
| 954 |
+
-----
|
| 955 |
+
This algorithm implements the inverse Jacobian Quasi-Newton update
|
| 956 |
+
|
| 957 |
+
.. math:: H_+ = H + (dx - H df) df^\\dagger / ( df^\\dagger df)
|
| 958 |
+
|
| 959 |
+
corresponding to Broyden's second method.
|
| 960 |
+
|
| 961 |
+
References
|
| 962 |
+
----------
|
| 963 |
+
.. [1] B.A. van der Rotten, PhD thesis,
|
| 964 |
+
\"A limited memory Broyden method to solve high-dimensional
|
| 965 |
+
systems of nonlinear equations\". Mathematisch Instituut,
|
| 966 |
+
Universiteit Leiden, The Netherlands (2003).
|
| 967 |
+
|
| 968 |
+
https://web.archive.org/web/20161022015821/http://www.math.leidenuniv.nl/scripties/Rotten.pdf
|
| 969 |
+
|
| 970 |
+
Examples
|
| 971 |
+
--------
|
| 972 |
+
The following functions define a system of nonlinear equations
|
| 973 |
+
|
| 974 |
+
>>> def fun(x):
|
| 975 |
+
... return [x[0] + 0.5 * (x[0] - x[1])**3 - 1.0,
|
| 976 |
+
... 0.5 * (x[1] - x[0])**3 + x[1]]
|
| 977 |
+
|
| 978 |
+
A solution can be obtained as follows.
|
| 979 |
+
|
| 980 |
+
>>> from scipy import optimize
|
| 981 |
+
>>> sol = optimize.broyden2(fun, [0, 0])
|
| 982 |
+
>>> sol
|
| 983 |
+
array([0.84116365, 0.15883529])
|
| 984 |
+
|
| 985 |
+
"""
|
| 986 |
+
|
| 987 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 988 |
+
self._reduce() # reduce first to preserve secant condition
|
| 989 |
+
|
| 990 |
+
v = df
|
| 991 |
+
c = dx - self.Gm.matvec(df)
|
| 992 |
+
d = v / df_norm**2
|
| 993 |
+
self.Gm.append(c, d)
|
| 994 |
+
|
| 995 |
+
|
| 996 |
+
#------------------------------------------------------------------------------
|
| 997 |
+
# Broyden-like (restricted memory)
|
| 998 |
+
#------------------------------------------------------------------------------
|
| 999 |
+
|
| 1000 |
+
class Anderson(GenericBroyden):
|
| 1001 |
+
"""
|
| 1002 |
+
Find a root of a function, using (extended) Anderson mixing.
|
| 1003 |
+
|
| 1004 |
+
The Jacobian is formed by for a 'best' solution in the space
|
| 1005 |
+
spanned by last `M` vectors. As a result, only a MxM matrix
|
| 1006 |
+
inversions and MxN multiplications are required. [Ey]_
|
| 1007 |
+
|
| 1008 |
+
Parameters
|
| 1009 |
+
----------
|
| 1010 |
+
%(params_basic)s
|
| 1011 |
+
alpha : float, optional
|
| 1012 |
+
Initial guess for the Jacobian is (-1/alpha).
|
| 1013 |
+
M : float, optional
|
| 1014 |
+
Number of previous vectors to retain. Defaults to 5.
|
| 1015 |
+
w0 : float, optional
|
| 1016 |
+
Regularization parameter for numerical stability.
|
| 1017 |
+
Compared to unity, good values of the order of 0.01.
|
| 1018 |
+
%(params_extra)s
|
| 1019 |
+
|
| 1020 |
+
See Also
|
| 1021 |
+
--------
|
| 1022 |
+
root : Interface to root finding algorithms for multivariate
|
| 1023 |
+
functions. See ``method='anderson'`` in particular.
|
| 1024 |
+
|
| 1025 |
+
References
|
| 1026 |
+
----------
|
| 1027 |
+
.. [Ey] V. Eyert, J. Comp. Phys., 124, 271 (1996).
|
| 1028 |
+
|
| 1029 |
+
Examples
|
| 1030 |
+
--------
|
| 1031 |
+
The following functions define a system of nonlinear equations
|
| 1032 |
+
|
| 1033 |
+
>>> def fun(x):
|
| 1034 |
+
... return [x[0] + 0.5 * (x[0] - x[1])**3 - 1.0,
|
| 1035 |
+
... 0.5 * (x[1] - x[0])**3 + x[1]]
|
| 1036 |
+
|
| 1037 |
+
A solution can be obtained as follows.
|
| 1038 |
+
|
| 1039 |
+
>>> from scipy import optimize
|
| 1040 |
+
>>> sol = optimize.anderson(fun, [0, 0])
|
| 1041 |
+
>>> sol
|
| 1042 |
+
array([0.84116588, 0.15883789])
|
| 1043 |
+
|
| 1044 |
+
"""
|
| 1045 |
+
|
| 1046 |
+
# Note:
|
| 1047 |
+
#
|
| 1048 |
+
# Anderson method maintains a rank M approximation of the inverse Jacobian,
|
| 1049 |
+
#
|
| 1050 |
+
# J^-1 v ~ -v*alpha + (dX + alpha dF) A^-1 dF^H v
|
| 1051 |
+
# A = W + dF^H dF
|
| 1052 |
+
# W = w0^2 diag(dF^H dF)
|
| 1053 |
+
#
|
| 1054 |
+
# so that for w0 = 0 the secant condition applies for last M iterates, i.e.,
|
| 1055 |
+
#
|
| 1056 |
+
# J^-1 df_j = dx_j
|
| 1057 |
+
#
|
| 1058 |
+
# for all j = 0 ... M-1.
|
| 1059 |
+
#
|
| 1060 |
+
# Moreover, (from Sherman-Morrison-Woodbury formula)
|
| 1061 |
+
#
|
| 1062 |
+
# J v ~ [ b I - b^2 C (I + b dF^H A^-1 C)^-1 dF^H ] v
|
| 1063 |
+
# C = (dX + alpha dF) A^-1
|
| 1064 |
+
# b = -1/alpha
|
| 1065 |
+
#
|
| 1066 |
+
# and after simplification
|
| 1067 |
+
#
|
| 1068 |
+
# J v ~ -v/alpha + (dX/alpha + dF) (dF^H dX - alpha W)^-1 dF^H v
|
| 1069 |
+
#
|
| 1070 |
+
|
| 1071 |
+
def __init__(self, alpha=None, w0=0.01, M=5):
|
| 1072 |
+
GenericBroyden.__init__(self)
|
| 1073 |
+
self.alpha = alpha
|
| 1074 |
+
self.M = M
|
| 1075 |
+
self.dx = []
|
| 1076 |
+
self.df = []
|
| 1077 |
+
self.gamma = None
|
| 1078 |
+
self.w0 = w0
|
| 1079 |
+
|
| 1080 |
+
def solve(self, f, tol=0):
|
| 1081 |
+
dx = -self.alpha*f
|
| 1082 |
+
|
| 1083 |
+
n = len(self.dx)
|
| 1084 |
+
if n == 0:
|
| 1085 |
+
return dx
|
| 1086 |
+
|
| 1087 |
+
df_f = np.empty(n, dtype=f.dtype)
|
| 1088 |
+
for k in range(n):
|
| 1089 |
+
df_f[k] = vdot(self.df[k], f)
|
| 1090 |
+
|
| 1091 |
+
try:
|
| 1092 |
+
gamma = solve(self.a, df_f)
|
| 1093 |
+
except LinAlgError:
|
| 1094 |
+
# singular; reset the Jacobian approximation
|
| 1095 |
+
del self.dx[:]
|
| 1096 |
+
del self.df[:]
|
| 1097 |
+
return dx
|
| 1098 |
+
|
| 1099 |
+
for m in range(n):
|
| 1100 |
+
dx += gamma[m]*(self.dx[m] + self.alpha*self.df[m])
|
| 1101 |
+
return dx
|
| 1102 |
+
|
| 1103 |
+
def matvec(self, f):
|
| 1104 |
+
dx = -f/self.alpha
|
| 1105 |
+
|
| 1106 |
+
n = len(self.dx)
|
| 1107 |
+
if n == 0:
|
| 1108 |
+
return dx
|
| 1109 |
+
|
| 1110 |
+
df_f = np.empty(n, dtype=f.dtype)
|
| 1111 |
+
for k in range(n):
|
| 1112 |
+
df_f[k] = vdot(self.df[k], f)
|
| 1113 |
+
|
| 1114 |
+
b = np.empty((n, n), dtype=f.dtype)
|
| 1115 |
+
for i in range(n):
|
| 1116 |
+
for j in range(n):
|
| 1117 |
+
b[i,j] = vdot(self.df[i], self.dx[j])
|
| 1118 |
+
if i == j and self.w0 != 0:
|
| 1119 |
+
b[i,j] -= vdot(self.df[i], self.df[i])*self.w0**2*self.alpha
|
| 1120 |
+
gamma = solve(b, df_f)
|
| 1121 |
+
|
| 1122 |
+
for m in range(n):
|
| 1123 |
+
dx += gamma[m]*(self.df[m] + self.dx[m]/self.alpha)
|
| 1124 |
+
return dx
|
| 1125 |
+
|
| 1126 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 1127 |
+
if self.M == 0:
|
| 1128 |
+
return
|
| 1129 |
+
|
| 1130 |
+
self.dx.append(dx)
|
| 1131 |
+
self.df.append(df)
|
| 1132 |
+
|
| 1133 |
+
while len(self.dx) > self.M:
|
| 1134 |
+
self.dx.pop(0)
|
| 1135 |
+
self.df.pop(0)
|
| 1136 |
+
|
| 1137 |
+
n = len(self.dx)
|
| 1138 |
+
a = np.zeros((n, n), dtype=f.dtype)
|
| 1139 |
+
|
| 1140 |
+
for i in range(n):
|
| 1141 |
+
for j in range(i, n):
|
| 1142 |
+
if i == j:
|
| 1143 |
+
wd = self.w0**2
|
| 1144 |
+
else:
|
| 1145 |
+
wd = 0
|
| 1146 |
+
a[i,j] = (1+wd)*vdot(self.df[i], self.df[j])
|
| 1147 |
+
|
| 1148 |
+
a += np.triu(a, 1).T.conj()
|
| 1149 |
+
self.a = a
|
| 1150 |
+
|
| 1151 |
+
#------------------------------------------------------------------------------
|
| 1152 |
+
# Simple iterations
|
| 1153 |
+
#------------------------------------------------------------------------------
|
| 1154 |
+
|
| 1155 |
+
|
| 1156 |
+
class DiagBroyden(GenericBroyden):
|
| 1157 |
+
"""
|
| 1158 |
+
Find a root of a function, using diagonal Broyden Jacobian approximation.
|
| 1159 |
+
|
| 1160 |
+
The Jacobian approximation is derived from previous iterations, by
|
| 1161 |
+
retaining only the diagonal of Broyden matrices.
|
| 1162 |
+
|
| 1163 |
+
.. warning::
|
| 1164 |
+
|
| 1165 |
+
This algorithm may be useful for specific problems, but whether
|
| 1166 |
+
it will work may depend strongly on the problem.
|
| 1167 |
+
|
| 1168 |
+
Parameters
|
| 1169 |
+
----------
|
| 1170 |
+
%(params_basic)s
|
| 1171 |
+
alpha : float, optional
|
| 1172 |
+
Initial guess for the Jacobian is (-1/alpha).
|
| 1173 |
+
%(params_extra)s
|
| 1174 |
+
|
| 1175 |
+
See Also
|
| 1176 |
+
--------
|
| 1177 |
+
root : Interface to root finding algorithms for multivariate
|
| 1178 |
+
functions. See ``method='diagbroyden'`` in particular.
|
| 1179 |
+
|
| 1180 |
+
Examples
|
| 1181 |
+
--------
|
| 1182 |
+
The following functions define a system of nonlinear equations
|
| 1183 |
+
|
| 1184 |
+
>>> def fun(x):
|
| 1185 |
+
... return [x[0] + 0.5 * (x[0] - x[1])**3 - 1.0,
|
| 1186 |
+
... 0.5 * (x[1] - x[0])**3 + x[1]]
|
| 1187 |
+
|
| 1188 |
+
A solution can be obtained as follows.
|
| 1189 |
+
|
| 1190 |
+
>>> from scipy import optimize
|
| 1191 |
+
>>> sol = optimize.diagbroyden(fun, [0, 0])
|
| 1192 |
+
>>> sol
|
| 1193 |
+
array([0.84116403, 0.15883384])
|
| 1194 |
+
|
| 1195 |
+
"""
|
| 1196 |
+
|
| 1197 |
+
def __init__(self, alpha=None):
|
| 1198 |
+
GenericBroyden.__init__(self)
|
| 1199 |
+
self.alpha = alpha
|
| 1200 |
+
|
| 1201 |
+
def setup(self, x, F, func):
|
| 1202 |
+
GenericBroyden.setup(self, x, F, func)
|
| 1203 |
+
self.d = np.full((self.shape[0],), 1 / self.alpha, dtype=self.dtype)
|
| 1204 |
+
|
| 1205 |
+
def solve(self, f, tol=0):
|
| 1206 |
+
return -f / self.d
|
| 1207 |
+
|
| 1208 |
+
def matvec(self, f):
|
| 1209 |
+
return -f * self.d
|
| 1210 |
+
|
| 1211 |
+
def rsolve(self, f, tol=0):
|
| 1212 |
+
return -f / self.d.conj()
|
| 1213 |
+
|
| 1214 |
+
def rmatvec(self, f):
|
| 1215 |
+
return -f * self.d.conj()
|
| 1216 |
+
|
| 1217 |
+
def todense(self):
|
| 1218 |
+
return np.diag(-self.d)
|
| 1219 |
+
|
| 1220 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 1221 |
+
self.d -= (df + self.d*dx)*dx/dx_norm**2
|
| 1222 |
+
|
| 1223 |
+
|
| 1224 |
+
class LinearMixing(GenericBroyden):
|
| 1225 |
+
"""
|
| 1226 |
+
Find a root of a function, using a scalar Jacobian approximation.
|
| 1227 |
+
|
| 1228 |
+
.. warning::
|
| 1229 |
+
|
| 1230 |
+
This algorithm may be useful for specific problems, but whether
|
| 1231 |
+
it will work may depend strongly on the problem.
|
| 1232 |
+
|
| 1233 |
+
Parameters
|
| 1234 |
+
----------
|
| 1235 |
+
%(params_basic)s
|
| 1236 |
+
alpha : float, optional
|
| 1237 |
+
The Jacobian approximation is (-1/alpha).
|
| 1238 |
+
%(params_extra)s
|
| 1239 |
+
|
| 1240 |
+
See Also
|
| 1241 |
+
--------
|
| 1242 |
+
root : Interface to root finding algorithms for multivariate
|
| 1243 |
+
functions. See ``method='linearmixing'`` in particular.
|
| 1244 |
+
|
| 1245 |
+
"""
|
| 1246 |
+
|
| 1247 |
+
def __init__(self, alpha=None):
|
| 1248 |
+
GenericBroyden.__init__(self)
|
| 1249 |
+
self.alpha = alpha
|
| 1250 |
+
|
| 1251 |
+
def solve(self, f, tol=0):
|
| 1252 |
+
return -f*self.alpha
|
| 1253 |
+
|
| 1254 |
+
def matvec(self, f):
|
| 1255 |
+
return -f/self.alpha
|
| 1256 |
+
|
| 1257 |
+
def rsolve(self, f, tol=0):
|
| 1258 |
+
return -f*np.conj(self.alpha)
|
| 1259 |
+
|
| 1260 |
+
def rmatvec(self, f):
|
| 1261 |
+
return -f/np.conj(self.alpha)
|
| 1262 |
+
|
| 1263 |
+
def todense(self):
|
| 1264 |
+
return np.diag(np.full(self.shape[0], -1/self.alpha))
|
| 1265 |
+
|
| 1266 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 1267 |
+
pass
|
| 1268 |
+
|
| 1269 |
+
|
| 1270 |
+
class ExcitingMixing(GenericBroyden):
|
| 1271 |
+
"""
|
| 1272 |
+
Find a root of a function, using a tuned diagonal Jacobian approximation.
|
| 1273 |
+
|
| 1274 |
+
The Jacobian matrix is diagonal and is tuned on each iteration.
|
| 1275 |
+
|
| 1276 |
+
.. warning::
|
| 1277 |
+
|
| 1278 |
+
This algorithm may be useful for specific problems, but whether
|
| 1279 |
+
it will work may depend strongly on the problem.
|
| 1280 |
+
|
| 1281 |
+
See Also
|
| 1282 |
+
--------
|
| 1283 |
+
root : Interface to root finding algorithms for multivariate
|
| 1284 |
+
functions. See ``method='excitingmixing'`` in particular.
|
| 1285 |
+
|
| 1286 |
+
Parameters
|
| 1287 |
+
----------
|
| 1288 |
+
%(params_basic)s
|
| 1289 |
+
alpha : float, optional
|
| 1290 |
+
Initial Jacobian approximation is (-1/alpha).
|
| 1291 |
+
alphamax : float, optional
|
| 1292 |
+
The entries of the diagonal Jacobian are kept in the range
|
| 1293 |
+
``[alpha, alphamax]``.
|
| 1294 |
+
%(params_extra)s
|
| 1295 |
+
"""
|
| 1296 |
+
|
| 1297 |
+
def __init__(self, alpha=None, alphamax=1.0):
|
| 1298 |
+
GenericBroyden.__init__(self)
|
| 1299 |
+
self.alpha = alpha
|
| 1300 |
+
self.alphamax = alphamax
|
| 1301 |
+
self.beta = None
|
| 1302 |
+
|
| 1303 |
+
def setup(self, x, F, func):
|
| 1304 |
+
GenericBroyden.setup(self, x, F, func)
|
| 1305 |
+
self.beta = np.full((self.shape[0],), self.alpha, dtype=self.dtype)
|
| 1306 |
+
|
| 1307 |
+
def solve(self, f, tol=0):
|
| 1308 |
+
return -f*self.beta
|
| 1309 |
+
|
| 1310 |
+
def matvec(self, f):
|
| 1311 |
+
return -f/self.beta
|
| 1312 |
+
|
| 1313 |
+
def rsolve(self, f, tol=0):
|
| 1314 |
+
return -f*self.beta.conj()
|
| 1315 |
+
|
| 1316 |
+
def rmatvec(self, f):
|
| 1317 |
+
return -f/self.beta.conj()
|
| 1318 |
+
|
| 1319 |
+
def todense(self):
|
| 1320 |
+
return np.diag(-1/self.beta)
|
| 1321 |
+
|
| 1322 |
+
def _update(self, x, f, dx, df, dx_norm, df_norm):
|
| 1323 |
+
incr = f*self.last_f > 0
|
| 1324 |
+
self.beta[incr] += self.alpha
|
| 1325 |
+
self.beta[~incr] = self.alpha
|
| 1326 |
+
np.clip(self.beta, 0, self.alphamax, out=self.beta)
|
| 1327 |
+
|
| 1328 |
+
|
| 1329 |
+
#------------------------------------------------------------------------------
|
| 1330 |
+
# Iterative/Krylov approximated Jacobians
|
| 1331 |
+
#------------------------------------------------------------------------------
|
| 1332 |
+
|
| 1333 |
+
class KrylovJacobian(Jacobian):
|
| 1334 |
+
r"""
|
| 1335 |
+
Find a root of a function, using Krylov approximation for inverse Jacobian.
|
| 1336 |
+
|
| 1337 |
+
This method is suitable for solving large-scale problems.
|
| 1338 |
+
|
| 1339 |
+
Parameters
|
| 1340 |
+
----------
|
| 1341 |
+
%(params_basic)s
|
| 1342 |
+
rdiff : float, optional
|
| 1343 |
+
Relative step size to use in numerical differentiation.
|
| 1344 |
+
method : str or callable, optional
|
| 1345 |
+
Krylov method to use to approximate the Jacobian. Can be a string,
|
| 1346 |
+
or a function implementing the same interface as the iterative
|
| 1347 |
+
solvers in `scipy.sparse.linalg`. If a string, needs to be one of:
|
| 1348 |
+
``'lgmres'``, ``'gmres'``, ``'bicgstab'``, ``'cgs'``, ``'minres'``,
|
| 1349 |
+
``'tfqmr'``.
|
| 1350 |
+
|
| 1351 |
+
The default is `scipy.sparse.linalg.lgmres`.
|
| 1352 |
+
inner_maxiter : int, optional
|
| 1353 |
+
Parameter to pass to the "inner" Krylov solver: maximum number of
|
| 1354 |
+
iterations. Iteration will stop after maxiter steps even if the
|
| 1355 |
+
specified tolerance has not been achieved.
|
| 1356 |
+
inner_M : LinearOperator or InverseJacobian
|
| 1357 |
+
Preconditioner for the inner Krylov iteration.
|
| 1358 |
+
Note that you can use also inverse Jacobians as (adaptive)
|
| 1359 |
+
preconditioners. For example,
|
| 1360 |
+
|
| 1361 |
+
>>> from scipy.optimize import BroydenFirst, KrylovJacobian
|
| 1362 |
+
>>> from scipy.optimize import InverseJacobian
|
| 1363 |
+
>>> jac = BroydenFirst()
|
| 1364 |
+
>>> kjac = KrylovJacobian(inner_M=InverseJacobian(jac))
|
| 1365 |
+
|
| 1366 |
+
If the preconditioner has a method named 'update', it will be called
|
| 1367 |
+
as ``update(x, f)`` after each nonlinear step, with ``x`` giving
|
| 1368 |
+
the current point, and ``f`` the current function value.
|
| 1369 |
+
outer_k : int, optional
|
| 1370 |
+
Size of the subspace kept across LGMRES nonlinear iterations.
|
| 1371 |
+
See `scipy.sparse.linalg.lgmres` for details.
|
| 1372 |
+
inner_kwargs : kwargs
|
| 1373 |
+
Keyword parameters for the "inner" Krylov solver
|
| 1374 |
+
(defined with `method`). Parameter names must start with
|
| 1375 |
+
the `inner_` prefix which will be stripped before passing on
|
| 1376 |
+
the inner method. See, e.g., `scipy.sparse.linalg.gmres` for details.
|
| 1377 |
+
%(params_extra)s
|
| 1378 |
+
|
| 1379 |
+
See Also
|
| 1380 |
+
--------
|
| 1381 |
+
root : Interface to root finding algorithms for multivariate
|
| 1382 |
+
functions. See ``method='krylov'`` in particular.
|
| 1383 |
+
scipy.sparse.linalg.gmres
|
| 1384 |
+
scipy.sparse.linalg.lgmres
|
| 1385 |
+
|
| 1386 |
+
Notes
|
| 1387 |
+
-----
|
| 1388 |
+
This function implements a Newton-Krylov solver. The basic idea is
|
| 1389 |
+
to compute the inverse of the Jacobian with an iterative Krylov
|
| 1390 |
+
method. These methods require only evaluating the Jacobian-vector
|
| 1391 |
+
products, which are conveniently approximated by a finite difference:
|
| 1392 |
+
|
| 1393 |
+
.. math:: J v \approx (f(x + \omega*v/|v|) - f(x)) / \omega
|
| 1394 |
+
|
| 1395 |
+
Due to the use of iterative matrix inverses, these methods can
|
| 1396 |
+
deal with large nonlinear problems.
|
| 1397 |
+
|
| 1398 |
+
SciPy's `scipy.sparse.linalg` module offers a selection of Krylov
|
| 1399 |
+
solvers to choose from. The default here is `lgmres`, which is a
|
| 1400 |
+
variant of restarted GMRES iteration that reuses some of the
|
| 1401 |
+
information obtained in the previous Newton steps to invert
|
| 1402 |
+
Jacobians in subsequent steps.
|
| 1403 |
+
|
| 1404 |
+
For a review on Newton-Krylov methods, see for example [1]_,
|
| 1405 |
+
and for the LGMRES sparse inverse method, see [2]_.
|
| 1406 |
+
|
| 1407 |
+
References
|
| 1408 |
+
----------
|
| 1409 |
+
.. [1] C. T. Kelley, Solving Nonlinear Equations with Newton's Method,
|
| 1410 |
+
SIAM, pp.57-83, 2003.
|
| 1411 |
+
:doi:`10.1137/1.9780898718898.ch3`
|
| 1412 |
+
.. [2] D.A. Knoll and D.E. Keyes, J. Comp. Phys. 193, 357 (2004).
|
| 1413 |
+
:doi:`10.1016/j.jcp.2003.08.010`
|
| 1414 |
+
.. [3] A.H. Baker and E.R. Jessup and T. Manteuffel,
|
| 1415 |
+
SIAM J. Matrix Anal. Appl. 26, 962 (2005).
|
| 1416 |
+
:doi:`10.1137/S0895479803422014`
|
| 1417 |
+
|
| 1418 |
+
Examples
|
| 1419 |
+
--------
|
| 1420 |
+
The following functions define a system of nonlinear equations
|
| 1421 |
+
|
| 1422 |
+
>>> def fun(x):
|
| 1423 |
+
... return [x[0] + 0.5 * x[1] - 1.0,
|
| 1424 |
+
... 0.5 * (x[1] - x[0]) ** 2]
|
| 1425 |
+
|
| 1426 |
+
A solution can be obtained as follows.
|
| 1427 |
+
|
| 1428 |
+
>>> from scipy import optimize
|
| 1429 |
+
>>> sol = optimize.newton_krylov(fun, [0, 0])
|
| 1430 |
+
>>> sol
|
| 1431 |
+
array([0.66731771, 0.66536458])
|
| 1432 |
+
|
| 1433 |
+
"""
|
| 1434 |
+
|
| 1435 |
+
def __init__(self, rdiff=None, method='lgmres', inner_maxiter=20,
|
| 1436 |
+
inner_M=None, outer_k=10, **kw):
|
| 1437 |
+
self.preconditioner = inner_M
|
| 1438 |
+
self.rdiff = rdiff
|
| 1439 |
+
# Note that this retrieves one of the named functions, or otherwise
|
| 1440 |
+
# uses `method` as is (i.e., for a user-provided callable).
|
| 1441 |
+
self.method = dict(
|
| 1442 |
+
bicgstab=scipy.sparse.linalg.bicgstab,
|
| 1443 |
+
gmres=scipy.sparse.linalg.gmres,
|
| 1444 |
+
lgmres=scipy.sparse.linalg.lgmres,
|
| 1445 |
+
cgs=scipy.sparse.linalg.cgs,
|
| 1446 |
+
minres=scipy.sparse.linalg.minres,
|
| 1447 |
+
tfqmr=scipy.sparse.linalg.tfqmr,
|
| 1448 |
+
).get(method, method)
|
| 1449 |
+
|
| 1450 |
+
self.method_kw = dict(maxiter=inner_maxiter, M=self.preconditioner)
|
| 1451 |
+
|
| 1452 |
+
if self.method is scipy.sparse.linalg.gmres:
|
| 1453 |
+
# Replace GMRES's outer iteration with Newton steps
|
| 1454 |
+
self.method_kw['restart'] = inner_maxiter
|
| 1455 |
+
self.method_kw['maxiter'] = 1
|
| 1456 |
+
self.method_kw.setdefault('atol', 0)
|
| 1457 |
+
elif self.method in (scipy.sparse.linalg.gcrotmk,
|
| 1458 |
+
scipy.sparse.linalg.bicgstab,
|
| 1459 |
+
scipy.sparse.linalg.cgs):
|
| 1460 |
+
self.method_kw.setdefault('atol', 0)
|
| 1461 |
+
elif self.method is scipy.sparse.linalg.lgmres:
|
| 1462 |
+
self.method_kw['outer_k'] = outer_k
|
| 1463 |
+
# Replace LGMRES's outer iteration with Newton steps
|
| 1464 |
+
self.method_kw['maxiter'] = 1
|
| 1465 |
+
# Carry LGMRES's `outer_v` vectors across nonlinear iterations
|
| 1466 |
+
self.method_kw.setdefault('outer_v', [])
|
| 1467 |
+
self.method_kw.setdefault('prepend_outer_v', True)
|
| 1468 |
+
# But don't carry the corresponding Jacobian*v products, in case
|
| 1469 |
+
# the Jacobian changes a lot in the nonlinear step
|
| 1470 |
+
#
|
| 1471 |
+
# XXX: some trust-region inspired ideas might be more efficient...
|
| 1472 |
+
# See e.g., Brown & Saad. But needs to be implemented separately
|
| 1473 |
+
# since it's not an inexact Newton method.
|
| 1474 |
+
self.method_kw.setdefault('store_outer_Av', False)
|
| 1475 |
+
self.method_kw.setdefault('atol', 0)
|
| 1476 |
+
|
| 1477 |
+
for key, value in kw.items():
|
| 1478 |
+
if not key.startswith('inner_'):
|
| 1479 |
+
raise ValueError("Unknown parameter %s" % key)
|
| 1480 |
+
self.method_kw[key[6:]] = value
|
| 1481 |
+
|
| 1482 |
+
def _update_diff_step(self):
|
| 1483 |
+
mx = abs(self.x0).max()
|
| 1484 |
+
mf = abs(self.f0).max()
|
| 1485 |
+
self.omega = self.rdiff * max(1, mx) / max(1, mf)
|
| 1486 |
+
|
| 1487 |
+
def matvec(self, v):
|
| 1488 |
+
nv = norm(v)
|
| 1489 |
+
if nv == 0:
|
| 1490 |
+
return 0*v
|
| 1491 |
+
sc = self.omega / nv
|
| 1492 |
+
r = (self.func(self.x0 + sc*v) - self.f0) / sc
|
| 1493 |
+
if not np.all(np.isfinite(r)) and np.all(np.isfinite(v)):
|
| 1494 |
+
raise ValueError('Function returned non-finite results')
|
| 1495 |
+
return r
|
| 1496 |
+
|
| 1497 |
+
def solve(self, rhs, tol=0):
|
| 1498 |
+
if 'rtol' in self.method_kw:
|
| 1499 |
+
sol, info = self.method(self.op, rhs, **self.method_kw)
|
| 1500 |
+
else:
|
| 1501 |
+
sol, info = self.method(self.op, rhs, rtol=tol, **self.method_kw)
|
| 1502 |
+
return sol
|
| 1503 |
+
|
| 1504 |
+
def update(self, x, f):
|
| 1505 |
+
self.x0 = x
|
| 1506 |
+
self.f0 = f
|
| 1507 |
+
self._update_diff_step()
|
| 1508 |
+
|
| 1509 |
+
# Update also the preconditioner, if possible
|
| 1510 |
+
if self.preconditioner is not None:
|
| 1511 |
+
if hasattr(self.preconditioner, 'update'):
|
| 1512 |
+
self.preconditioner.update(x, f)
|
| 1513 |
+
|
| 1514 |
+
def setup(self, x, f, func):
|
| 1515 |
+
Jacobian.setup(self, x, f, func)
|
| 1516 |
+
self.x0 = x
|
| 1517 |
+
self.f0 = f
|
| 1518 |
+
self.op = scipy.sparse.linalg.aslinearoperator(self)
|
| 1519 |
+
|
| 1520 |
+
if self.rdiff is None:
|
| 1521 |
+
self.rdiff = np.finfo(x.dtype).eps ** (1./2)
|
| 1522 |
+
|
| 1523 |
+
self._update_diff_step()
|
| 1524 |
+
|
| 1525 |
+
# Setup also the preconditioner, if possible
|
| 1526 |
+
if self.preconditioner is not None:
|
| 1527 |
+
if hasattr(self.preconditioner, 'setup'):
|
| 1528 |
+
self.preconditioner.setup(x, f, func)
|
| 1529 |
+
|
| 1530 |
+
|
| 1531 |
+
#------------------------------------------------------------------------------
|
| 1532 |
+
# Wrapper functions
|
| 1533 |
+
#------------------------------------------------------------------------------
|
| 1534 |
+
|
| 1535 |
+
def _nonlin_wrapper(name, jac):
|
| 1536 |
+
"""
|
| 1537 |
+
Construct a solver wrapper with given name and Jacobian approx.
|
| 1538 |
+
|
| 1539 |
+
It inspects the keyword arguments of ``jac.__init__``, and allows to
|
| 1540 |
+
use the same arguments in the wrapper function, in addition to the
|
| 1541 |
+
keyword arguments of `nonlin_solve`
|
| 1542 |
+
|
| 1543 |
+
"""
|
| 1544 |
+
signature = _getfullargspec(jac.__init__)
|
| 1545 |
+
args, varargs, varkw, defaults, kwonlyargs, kwdefaults, _ = signature
|
| 1546 |
+
kwargs = list(zip(args[-len(defaults):], defaults))
|
| 1547 |
+
kw_str = ", ".join([f"{k}={v!r}" for k, v in kwargs])
|
| 1548 |
+
if kw_str:
|
| 1549 |
+
kw_str = ", " + kw_str
|
| 1550 |
+
kwkw_str = ", ".join([f"{k}={k}" for k, v in kwargs])
|
| 1551 |
+
if kwkw_str:
|
| 1552 |
+
kwkw_str = kwkw_str + ", "
|
| 1553 |
+
if kwonlyargs:
|
| 1554 |
+
raise ValueError('Unexpected signature %s' % signature)
|
| 1555 |
+
|
| 1556 |
+
# Construct the wrapper function so that its keyword arguments
|
| 1557 |
+
# are visible in pydoc.help etc.
|
| 1558 |
+
wrapper = """
|
| 1559 |
+
def %(name)s(F, xin, iter=None %(kw)s, verbose=False, maxiter=None,
|
| 1560 |
+
f_tol=None, f_rtol=None, x_tol=None, x_rtol=None,
|
| 1561 |
+
tol_norm=None, line_search='armijo', callback=None, **kw):
|
| 1562 |
+
jac = %(jac)s(%(kwkw)s **kw)
|
| 1563 |
+
return nonlin_solve(F, xin, jac, iter, verbose, maxiter,
|
| 1564 |
+
f_tol, f_rtol, x_tol, x_rtol, tol_norm, line_search,
|
| 1565 |
+
callback)
|
| 1566 |
+
"""
|
| 1567 |
+
|
| 1568 |
+
wrapper = wrapper % dict(name=name, kw=kw_str, jac=jac.__name__,
|
| 1569 |
+
kwkw=kwkw_str)
|
| 1570 |
+
ns = {}
|
| 1571 |
+
ns.update(globals())
|
| 1572 |
+
exec(wrapper, ns)
|
| 1573 |
+
func = ns[name]
|
| 1574 |
+
func.__doc__ = jac.__doc__
|
| 1575 |
+
_set_doc(func)
|
| 1576 |
+
return func
|
| 1577 |
+
|
| 1578 |
+
|
| 1579 |
+
broyden1 = _nonlin_wrapper('broyden1', BroydenFirst)
|
| 1580 |
+
broyden2 = _nonlin_wrapper('broyden2', BroydenSecond)
|
| 1581 |
+
anderson = _nonlin_wrapper('anderson', Anderson)
|
| 1582 |
+
linearmixing = _nonlin_wrapper('linearmixing', LinearMixing)
|
| 1583 |
+
diagbroyden = _nonlin_wrapper('diagbroyden', DiagBroyden)
|
| 1584 |
+
excitingmixing = _nonlin_wrapper('excitingmixing', ExcitingMixing)
|
| 1585 |
+
newton_krylov = _nonlin_wrapper('newton_krylov', KrylovJacobian)
|
vila/lib/python3.10/site-packages/scipy/optimize/_numdiff.py
ADDED
|
@@ -0,0 +1,779 @@
|
|
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|
|
| 1 |
+
"""Routines for numerical differentiation."""
|
| 2 |
+
import functools
|
| 3 |
+
import numpy as np
|
| 4 |
+
from numpy.linalg import norm
|
| 5 |
+
|
| 6 |
+
from scipy.sparse.linalg import LinearOperator
|
| 7 |
+
from ..sparse import issparse, csc_matrix, csr_matrix, coo_matrix, find
|
| 8 |
+
from ._group_columns import group_dense, group_sparse
|
| 9 |
+
from scipy._lib._array_api import atleast_nd, array_namespace
|
| 10 |
+
|
| 11 |
+
|
| 12 |
+
def _adjust_scheme_to_bounds(x0, h, num_steps, scheme, lb, ub):
|
| 13 |
+
"""Adjust final difference scheme to the presence of bounds.
|
| 14 |
+
|
| 15 |
+
Parameters
|
| 16 |
+
----------
|
| 17 |
+
x0 : ndarray, shape (n,)
|
| 18 |
+
Point at which we wish to estimate derivative.
|
| 19 |
+
h : ndarray, shape (n,)
|
| 20 |
+
Desired absolute finite difference steps.
|
| 21 |
+
num_steps : int
|
| 22 |
+
Number of `h` steps in one direction required to implement finite
|
| 23 |
+
difference scheme. For example, 2 means that we need to evaluate
|
| 24 |
+
f(x0 + 2 * h) or f(x0 - 2 * h)
|
| 25 |
+
scheme : {'1-sided', '2-sided'}
|
| 26 |
+
Whether steps in one or both directions are required. In other
|
| 27 |
+
words '1-sided' applies to forward and backward schemes, '2-sided'
|
| 28 |
+
applies to center schemes.
|
| 29 |
+
lb : ndarray, shape (n,)
|
| 30 |
+
Lower bounds on independent variables.
|
| 31 |
+
ub : ndarray, shape (n,)
|
| 32 |
+
Upper bounds on independent variables.
|
| 33 |
+
|
| 34 |
+
Returns
|
| 35 |
+
-------
|
| 36 |
+
h_adjusted : ndarray, shape (n,)
|
| 37 |
+
Adjusted absolute step sizes. Step size decreases only if a sign flip
|
| 38 |
+
or switching to one-sided scheme doesn't allow to take a full step.
|
| 39 |
+
use_one_sided : ndarray of bool, shape (n,)
|
| 40 |
+
Whether to switch to one-sided scheme. Informative only for
|
| 41 |
+
``scheme='2-sided'``.
|
| 42 |
+
"""
|
| 43 |
+
if scheme == '1-sided':
|
| 44 |
+
use_one_sided = np.ones_like(h, dtype=bool)
|
| 45 |
+
elif scheme == '2-sided':
|
| 46 |
+
h = np.abs(h)
|
| 47 |
+
use_one_sided = np.zeros_like(h, dtype=bool)
|
| 48 |
+
else:
|
| 49 |
+
raise ValueError("`scheme` must be '1-sided' or '2-sided'.")
|
| 50 |
+
|
| 51 |
+
if np.all((lb == -np.inf) & (ub == np.inf)):
|
| 52 |
+
return h, use_one_sided
|
| 53 |
+
|
| 54 |
+
h_total = h * num_steps
|
| 55 |
+
h_adjusted = h.copy()
|
| 56 |
+
|
| 57 |
+
lower_dist = x0 - lb
|
| 58 |
+
upper_dist = ub - x0
|
| 59 |
+
|
| 60 |
+
if scheme == '1-sided':
|
| 61 |
+
x = x0 + h_total
|
| 62 |
+
violated = (x < lb) | (x > ub)
|
| 63 |
+
fitting = np.abs(h_total) <= np.maximum(lower_dist, upper_dist)
|
| 64 |
+
h_adjusted[violated & fitting] *= -1
|
| 65 |
+
|
| 66 |
+
forward = (upper_dist >= lower_dist) & ~fitting
|
| 67 |
+
h_adjusted[forward] = upper_dist[forward] / num_steps
|
| 68 |
+
backward = (upper_dist < lower_dist) & ~fitting
|
| 69 |
+
h_adjusted[backward] = -lower_dist[backward] / num_steps
|
| 70 |
+
elif scheme == '2-sided':
|
| 71 |
+
central = (lower_dist >= h_total) & (upper_dist >= h_total)
|
| 72 |
+
|
| 73 |
+
forward = (upper_dist >= lower_dist) & ~central
|
| 74 |
+
h_adjusted[forward] = np.minimum(
|
| 75 |
+
h[forward], 0.5 * upper_dist[forward] / num_steps)
|
| 76 |
+
use_one_sided[forward] = True
|
| 77 |
+
|
| 78 |
+
backward = (upper_dist < lower_dist) & ~central
|
| 79 |
+
h_adjusted[backward] = -np.minimum(
|
| 80 |
+
h[backward], 0.5 * lower_dist[backward] / num_steps)
|
| 81 |
+
use_one_sided[backward] = True
|
| 82 |
+
|
| 83 |
+
min_dist = np.minimum(upper_dist, lower_dist) / num_steps
|
| 84 |
+
adjusted_central = (~central & (np.abs(h_adjusted) <= min_dist))
|
| 85 |
+
h_adjusted[adjusted_central] = min_dist[adjusted_central]
|
| 86 |
+
use_one_sided[adjusted_central] = False
|
| 87 |
+
|
| 88 |
+
return h_adjusted, use_one_sided
|
| 89 |
+
|
| 90 |
+
|
| 91 |
+
@functools.lru_cache
|
| 92 |
+
def _eps_for_method(x0_dtype, f0_dtype, method):
|
| 93 |
+
"""
|
| 94 |
+
Calculates relative EPS step to use for a given data type
|
| 95 |
+
and numdiff step method.
|
| 96 |
+
|
| 97 |
+
Progressively smaller steps are used for larger floating point types.
|
| 98 |
+
|
| 99 |
+
Parameters
|
| 100 |
+
----------
|
| 101 |
+
f0_dtype: np.dtype
|
| 102 |
+
dtype of function evaluation
|
| 103 |
+
|
| 104 |
+
x0_dtype: np.dtype
|
| 105 |
+
dtype of parameter vector
|
| 106 |
+
|
| 107 |
+
method: {'2-point', '3-point', 'cs'}
|
| 108 |
+
|
| 109 |
+
Returns
|
| 110 |
+
-------
|
| 111 |
+
EPS: float
|
| 112 |
+
relative step size. May be np.float16, np.float32, np.float64
|
| 113 |
+
|
| 114 |
+
Notes
|
| 115 |
+
-----
|
| 116 |
+
The default relative step will be np.float64. However, if x0 or f0 are
|
| 117 |
+
smaller floating point types (np.float16, np.float32), then the smallest
|
| 118 |
+
floating point type is chosen.
|
| 119 |
+
"""
|
| 120 |
+
# the default EPS value
|
| 121 |
+
EPS = np.finfo(np.float64).eps
|
| 122 |
+
|
| 123 |
+
x0_is_fp = False
|
| 124 |
+
if np.issubdtype(x0_dtype, np.inexact):
|
| 125 |
+
# if you're a floating point type then over-ride the default EPS
|
| 126 |
+
EPS = np.finfo(x0_dtype).eps
|
| 127 |
+
x0_itemsize = np.dtype(x0_dtype).itemsize
|
| 128 |
+
x0_is_fp = True
|
| 129 |
+
|
| 130 |
+
if np.issubdtype(f0_dtype, np.inexact):
|
| 131 |
+
f0_itemsize = np.dtype(f0_dtype).itemsize
|
| 132 |
+
# choose the smallest itemsize between x0 and f0
|
| 133 |
+
if x0_is_fp and f0_itemsize < x0_itemsize:
|
| 134 |
+
EPS = np.finfo(f0_dtype).eps
|
| 135 |
+
|
| 136 |
+
if method in ["2-point", "cs"]:
|
| 137 |
+
return EPS**0.5
|
| 138 |
+
elif method in ["3-point"]:
|
| 139 |
+
return EPS**(1/3)
|
| 140 |
+
else:
|
| 141 |
+
raise RuntimeError("Unknown step method, should be one of "
|
| 142 |
+
"{'2-point', '3-point', 'cs'}")
|
| 143 |
+
|
| 144 |
+
|
| 145 |
+
def _compute_absolute_step(rel_step, x0, f0, method):
|
| 146 |
+
"""
|
| 147 |
+
Computes an absolute step from a relative step for finite difference
|
| 148 |
+
calculation.
|
| 149 |
+
|
| 150 |
+
Parameters
|
| 151 |
+
----------
|
| 152 |
+
rel_step: None or array-like
|
| 153 |
+
Relative step for the finite difference calculation
|
| 154 |
+
x0 : np.ndarray
|
| 155 |
+
Parameter vector
|
| 156 |
+
f0 : np.ndarray or scalar
|
| 157 |
+
method : {'2-point', '3-point', 'cs'}
|
| 158 |
+
|
| 159 |
+
Returns
|
| 160 |
+
-------
|
| 161 |
+
h : float
|
| 162 |
+
The absolute step size
|
| 163 |
+
|
| 164 |
+
Notes
|
| 165 |
+
-----
|
| 166 |
+
`h` will always be np.float64. However, if `x0` or `f0` are
|
| 167 |
+
smaller floating point dtypes (e.g. np.float32), then the absolute
|
| 168 |
+
step size will be calculated from the smallest floating point size.
|
| 169 |
+
"""
|
| 170 |
+
# this is used instead of np.sign(x0) because we need
|
| 171 |
+
# sign_x0 to be 1 when x0 == 0.
|
| 172 |
+
sign_x0 = (x0 >= 0).astype(float) * 2 - 1
|
| 173 |
+
|
| 174 |
+
rstep = _eps_for_method(x0.dtype, f0.dtype, method)
|
| 175 |
+
|
| 176 |
+
if rel_step is None:
|
| 177 |
+
abs_step = rstep * sign_x0 * np.maximum(1.0, np.abs(x0))
|
| 178 |
+
else:
|
| 179 |
+
# User has requested specific relative steps.
|
| 180 |
+
# Don't multiply by max(1, abs(x0) because if x0 < 1 then their
|
| 181 |
+
# requested step is not used.
|
| 182 |
+
abs_step = rel_step * sign_x0 * np.abs(x0)
|
| 183 |
+
|
| 184 |
+
# however we don't want an abs_step of 0, which can happen if
|
| 185 |
+
# rel_step is 0, or x0 is 0. Instead, substitute a realistic step
|
| 186 |
+
dx = ((x0 + abs_step) - x0)
|
| 187 |
+
abs_step = np.where(dx == 0,
|
| 188 |
+
rstep * sign_x0 * np.maximum(1.0, np.abs(x0)),
|
| 189 |
+
abs_step)
|
| 190 |
+
|
| 191 |
+
return abs_step
|
| 192 |
+
|
| 193 |
+
|
| 194 |
+
def _prepare_bounds(bounds, x0):
|
| 195 |
+
"""
|
| 196 |
+
Prepares new-style bounds from a two-tuple specifying the lower and upper
|
| 197 |
+
limits for values in x0. If a value is not bound then the lower/upper bound
|
| 198 |
+
will be expected to be -np.inf/np.inf.
|
| 199 |
+
|
| 200 |
+
Examples
|
| 201 |
+
--------
|
| 202 |
+
>>> _prepare_bounds([(0, 1, 2), (1, 2, np.inf)], [0.5, 1.5, 2.5])
|
| 203 |
+
(array([0., 1., 2.]), array([ 1., 2., inf]))
|
| 204 |
+
"""
|
| 205 |
+
lb, ub = (np.asarray(b, dtype=float) for b in bounds)
|
| 206 |
+
if lb.ndim == 0:
|
| 207 |
+
lb = np.resize(lb, x0.shape)
|
| 208 |
+
|
| 209 |
+
if ub.ndim == 0:
|
| 210 |
+
ub = np.resize(ub, x0.shape)
|
| 211 |
+
|
| 212 |
+
return lb, ub
|
| 213 |
+
|
| 214 |
+
|
| 215 |
+
def group_columns(A, order=0):
|
| 216 |
+
"""Group columns of a 2-D matrix for sparse finite differencing [1]_.
|
| 217 |
+
|
| 218 |
+
Two columns are in the same group if in each row at least one of them
|
| 219 |
+
has zero. A greedy sequential algorithm is used to construct groups.
|
| 220 |
+
|
| 221 |
+
Parameters
|
| 222 |
+
----------
|
| 223 |
+
A : array_like or sparse matrix, shape (m, n)
|
| 224 |
+
Matrix of which to group columns.
|
| 225 |
+
order : int, iterable of int with shape (n,) or None
|
| 226 |
+
Permutation array which defines the order of columns enumeration.
|
| 227 |
+
If int or None, a random permutation is used with `order` used as
|
| 228 |
+
a random seed. Default is 0, that is use a random permutation but
|
| 229 |
+
guarantee repeatability.
|
| 230 |
+
|
| 231 |
+
Returns
|
| 232 |
+
-------
|
| 233 |
+
groups : ndarray of int, shape (n,)
|
| 234 |
+
Contains values from 0 to n_groups-1, where n_groups is the number
|
| 235 |
+
of found groups. Each value ``groups[i]`` is an index of a group to
|
| 236 |
+
which ith column assigned. The procedure was helpful only if
|
| 237 |
+
n_groups is significantly less than n.
|
| 238 |
+
|
| 239 |
+
References
|
| 240 |
+
----------
|
| 241 |
+
.. [1] A. Curtis, M. J. D. Powell, and J. Reid, "On the estimation of
|
| 242 |
+
sparse Jacobian matrices", Journal of the Institute of Mathematics
|
| 243 |
+
and its Applications, 13 (1974), pp. 117-120.
|
| 244 |
+
"""
|
| 245 |
+
if issparse(A):
|
| 246 |
+
A = csc_matrix(A)
|
| 247 |
+
else:
|
| 248 |
+
A = np.atleast_2d(A)
|
| 249 |
+
A = (A != 0).astype(np.int32)
|
| 250 |
+
|
| 251 |
+
if A.ndim != 2:
|
| 252 |
+
raise ValueError("`A` must be 2-dimensional.")
|
| 253 |
+
|
| 254 |
+
m, n = A.shape
|
| 255 |
+
|
| 256 |
+
if order is None or np.isscalar(order):
|
| 257 |
+
rng = np.random.RandomState(order)
|
| 258 |
+
order = rng.permutation(n)
|
| 259 |
+
else:
|
| 260 |
+
order = np.asarray(order)
|
| 261 |
+
if order.shape != (n,):
|
| 262 |
+
raise ValueError("`order` has incorrect shape.")
|
| 263 |
+
|
| 264 |
+
A = A[:, order]
|
| 265 |
+
|
| 266 |
+
if issparse(A):
|
| 267 |
+
groups = group_sparse(m, n, A.indices, A.indptr)
|
| 268 |
+
else:
|
| 269 |
+
groups = group_dense(m, n, A)
|
| 270 |
+
|
| 271 |
+
groups[order] = groups.copy()
|
| 272 |
+
|
| 273 |
+
return groups
|
| 274 |
+
|
| 275 |
+
|
| 276 |
+
def approx_derivative(fun, x0, method='3-point', rel_step=None, abs_step=None,
|
| 277 |
+
f0=None, bounds=(-np.inf, np.inf), sparsity=None,
|
| 278 |
+
as_linear_operator=False, args=(), kwargs={}):
|
| 279 |
+
"""Compute finite difference approximation of the derivatives of a
|
| 280 |
+
vector-valued function.
|
| 281 |
+
|
| 282 |
+
If a function maps from R^n to R^m, its derivatives form m-by-n matrix
|
| 283 |
+
called the Jacobian, where an element (i, j) is a partial derivative of
|
| 284 |
+
f[i] with respect to x[j].
|
| 285 |
+
|
| 286 |
+
Parameters
|
| 287 |
+
----------
|
| 288 |
+
fun : callable
|
| 289 |
+
Function of which to estimate the derivatives. The argument x
|
| 290 |
+
passed to this function is ndarray of shape (n,) (never a scalar
|
| 291 |
+
even if n=1). It must return 1-D array_like of shape (m,) or a scalar.
|
| 292 |
+
x0 : array_like of shape (n,) or float
|
| 293 |
+
Point at which to estimate the derivatives. Float will be converted
|
| 294 |
+
to a 1-D array.
|
| 295 |
+
method : {'3-point', '2-point', 'cs'}, optional
|
| 296 |
+
Finite difference method to use:
|
| 297 |
+
- '2-point' - use the first order accuracy forward or backward
|
| 298 |
+
difference.
|
| 299 |
+
- '3-point' - use central difference in interior points and the
|
| 300 |
+
second order accuracy forward or backward difference
|
| 301 |
+
near the boundary.
|
| 302 |
+
- 'cs' - use a complex-step finite difference scheme. This assumes
|
| 303 |
+
that the user function is real-valued and can be
|
| 304 |
+
analytically continued to the complex plane. Otherwise,
|
| 305 |
+
produces bogus results.
|
| 306 |
+
rel_step : None or array_like, optional
|
| 307 |
+
Relative step size to use. If None (default) the absolute step size is
|
| 308 |
+
computed as ``h = rel_step * sign(x0) * max(1, abs(x0))``, with
|
| 309 |
+
`rel_step` being selected automatically, see Notes. Otherwise
|
| 310 |
+
``h = rel_step * sign(x0) * abs(x0)``. For ``method='3-point'`` the
|
| 311 |
+
sign of `h` is ignored. The calculated step size is possibly adjusted
|
| 312 |
+
to fit into the bounds.
|
| 313 |
+
abs_step : array_like, optional
|
| 314 |
+
Absolute step size to use, possibly adjusted to fit into the bounds.
|
| 315 |
+
For ``method='3-point'`` the sign of `abs_step` is ignored. By default
|
| 316 |
+
relative steps are used, only if ``abs_step is not None`` are absolute
|
| 317 |
+
steps used.
|
| 318 |
+
f0 : None or array_like, optional
|
| 319 |
+
If not None it is assumed to be equal to ``fun(x0)``, in this case
|
| 320 |
+
the ``fun(x0)`` is not called. Default is None.
|
| 321 |
+
bounds : tuple of array_like, optional
|
| 322 |
+
Lower and upper bounds on independent variables. Defaults to no bounds.
|
| 323 |
+
Each bound must match the size of `x0` or be a scalar, in the latter
|
| 324 |
+
case the bound will be the same for all variables. Use it to limit the
|
| 325 |
+
range of function evaluation. Bounds checking is not implemented
|
| 326 |
+
when `as_linear_operator` is True.
|
| 327 |
+
sparsity : {None, array_like, sparse matrix, 2-tuple}, optional
|
| 328 |
+
Defines a sparsity structure of the Jacobian matrix. If the Jacobian
|
| 329 |
+
matrix is known to have only few non-zero elements in each row, then
|
| 330 |
+
it's possible to estimate its several columns by a single function
|
| 331 |
+
evaluation [3]_. To perform such economic computations two ingredients
|
| 332 |
+
are required:
|
| 333 |
+
|
| 334 |
+
* structure : array_like or sparse matrix of shape (m, n). A zero
|
| 335 |
+
element means that a corresponding element of the Jacobian
|
| 336 |
+
identically equals to zero.
|
| 337 |
+
* groups : array_like of shape (n,). A column grouping for a given
|
| 338 |
+
sparsity structure, use `group_columns` to obtain it.
|
| 339 |
+
|
| 340 |
+
A single array or a sparse matrix is interpreted as a sparsity
|
| 341 |
+
structure, and groups are computed inside the function. A tuple is
|
| 342 |
+
interpreted as (structure, groups). If None (default), a standard
|
| 343 |
+
dense differencing will be used.
|
| 344 |
+
|
| 345 |
+
Note, that sparse differencing makes sense only for large Jacobian
|
| 346 |
+
matrices where each row contains few non-zero elements.
|
| 347 |
+
as_linear_operator : bool, optional
|
| 348 |
+
When True the function returns an `scipy.sparse.linalg.LinearOperator`.
|
| 349 |
+
Otherwise it returns a dense array or a sparse matrix depending on
|
| 350 |
+
`sparsity`. The linear operator provides an efficient way of computing
|
| 351 |
+
``J.dot(p)`` for any vector ``p`` of shape (n,), but does not allow
|
| 352 |
+
direct access to individual elements of the matrix. By default
|
| 353 |
+
`as_linear_operator` is False.
|
| 354 |
+
args, kwargs : tuple and dict, optional
|
| 355 |
+
Additional arguments passed to `fun`. Both empty by default.
|
| 356 |
+
The calling signature is ``fun(x, *args, **kwargs)``.
|
| 357 |
+
|
| 358 |
+
Returns
|
| 359 |
+
-------
|
| 360 |
+
J : {ndarray, sparse matrix, LinearOperator}
|
| 361 |
+
Finite difference approximation of the Jacobian matrix.
|
| 362 |
+
If `as_linear_operator` is True returns a LinearOperator
|
| 363 |
+
with shape (m, n). Otherwise it returns a dense array or sparse
|
| 364 |
+
matrix depending on how `sparsity` is defined. If `sparsity`
|
| 365 |
+
is None then a ndarray with shape (m, n) is returned. If
|
| 366 |
+
`sparsity` is not None returns a csr_matrix with shape (m, n).
|
| 367 |
+
For sparse matrices and linear operators it is always returned as
|
| 368 |
+
a 2-D structure, for ndarrays, if m=1 it is returned
|
| 369 |
+
as a 1-D gradient array with shape (n,).
|
| 370 |
+
|
| 371 |
+
See Also
|
| 372 |
+
--------
|
| 373 |
+
check_derivative : Check correctness of a function computing derivatives.
|
| 374 |
+
|
| 375 |
+
Notes
|
| 376 |
+
-----
|
| 377 |
+
If `rel_step` is not provided, it assigned as ``EPS**(1/s)``, where EPS is
|
| 378 |
+
determined from the smallest floating point dtype of `x0` or `fun(x0)`,
|
| 379 |
+
``np.finfo(x0.dtype).eps``, s=2 for '2-point' method and
|
| 380 |
+
s=3 for '3-point' method. Such relative step approximately minimizes a sum
|
| 381 |
+
of truncation and round-off errors, see [1]_. Relative steps are used by
|
| 382 |
+
default. However, absolute steps are used when ``abs_step is not None``.
|
| 383 |
+
If any of the absolute or relative steps produces an indistinguishable
|
| 384 |
+
difference from the original `x0`, ``(x0 + dx) - x0 == 0``, then a
|
| 385 |
+
automatic step size is substituted for that particular entry.
|
| 386 |
+
|
| 387 |
+
A finite difference scheme for '3-point' method is selected automatically.
|
| 388 |
+
The well-known central difference scheme is used for points sufficiently
|
| 389 |
+
far from the boundary, and 3-point forward or backward scheme is used for
|
| 390 |
+
points near the boundary. Both schemes have the second-order accuracy in
|
| 391 |
+
terms of Taylor expansion. Refer to [2]_ for the formulas of 3-point
|
| 392 |
+
forward and backward difference schemes.
|
| 393 |
+
|
| 394 |
+
For dense differencing when m=1 Jacobian is returned with a shape (n,),
|
| 395 |
+
on the other hand when n=1 Jacobian is returned with a shape (m, 1).
|
| 396 |
+
Our motivation is the following: a) It handles a case of gradient
|
| 397 |
+
computation (m=1) in a conventional way. b) It clearly separates these two
|
| 398 |
+
different cases. b) In all cases np.atleast_2d can be called to get 2-D
|
| 399 |
+
Jacobian with correct dimensions.
|
| 400 |
+
|
| 401 |
+
References
|
| 402 |
+
----------
|
| 403 |
+
.. [1] W. H. Press et. al. "Numerical Recipes. The Art of Scientific
|
| 404 |
+
Computing. 3rd edition", sec. 5.7.
|
| 405 |
+
|
| 406 |
+
.. [2] A. Curtis, M. J. D. Powell, and J. Reid, "On the estimation of
|
| 407 |
+
sparse Jacobian matrices", Journal of the Institute of Mathematics
|
| 408 |
+
and its Applications, 13 (1974), pp. 117-120.
|
| 409 |
+
|
| 410 |
+
.. [3] B. Fornberg, "Generation of Finite Difference Formulas on
|
| 411 |
+
Arbitrarily Spaced Grids", Mathematics of Computation 51, 1988.
|
| 412 |
+
|
| 413 |
+
Examples
|
| 414 |
+
--------
|
| 415 |
+
>>> import numpy as np
|
| 416 |
+
>>> from scipy.optimize._numdiff import approx_derivative
|
| 417 |
+
>>>
|
| 418 |
+
>>> def f(x, c1, c2):
|
| 419 |
+
... return np.array([x[0] * np.sin(c1 * x[1]),
|
| 420 |
+
... x[0] * np.cos(c2 * x[1])])
|
| 421 |
+
...
|
| 422 |
+
>>> x0 = np.array([1.0, 0.5 * np.pi])
|
| 423 |
+
>>> approx_derivative(f, x0, args=(1, 2))
|
| 424 |
+
array([[ 1., 0.],
|
| 425 |
+
[-1., 0.]])
|
| 426 |
+
|
| 427 |
+
Bounds can be used to limit the region of function evaluation.
|
| 428 |
+
In the example below we compute left and right derivative at point 1.0.
|
| 429 |
+
|
| 430 |
+
>>> def g(x):
|
| 431 |
+
... return x**2 if x >= 1 else x
|
| 432 |
+
...
|
| 433 |
+
>>> x0 = 1.0
|
| 434 |
+
>>> approx_derivative(g, x0, bounds=(-np.inf, 1.0))
|
| 435 |
+
array([ 1.])
|
| 436 |
+
>>> approx_derivative(g, x0, bounds=(1.0, np.inf))
|
| 437 |
+
array([ 2.])
|
| 438 |
+
"""
|
| 439 |
+
if method not in ['2-point', '3-point', 'cs']:
|
| 440 |
+
raise ValueError("Unknown method '%s'. " % method)
|
| 441 |
+
|
| 442 |
+
xp = array_namespace(x0)
|
| 443 |
+
_x = atleast_nd(x0, ndim=1, xp=xp)
|
| 444 |
+
_dtype = xp.float64
|
| 445 |
+
if xp.isdtype(_x.dtype, "real floating"):
|
| 446 |
+
_dtype = _x.dtype
|
| 447 |
+
|
| 448 |
+
# promotes to floating
|
| 449 |
+
x0 = xp.astype(_x, _dtype)
|
| 450 |
+
|
| 451 |
+
if x0.ndim > 1:
|
| 452 |
+
raise ValueError("`x0` must have at most 1 dimension.")
|
| 453 |
+
|
| 454 |
+
lb, ub = _prepare_bounds(bounds, x0)
|
| 455 |
+
|
| 456 |
+
if lb.shape != x0.shape or ub.shape != x0.shape:
|
| 457 |
+
raise ValueError("Inconsistent shapes between bounds and `x0`.")
|
| 458 |
+
|
| 459 |
+
if as_linear_operator and not (np.all(np.isinf(lb))
|
| 460 |
+
and np.all(np.isinf(ub))):
|
| 461 |
+
raise ValueError("Bounds not supported when "
|
| 462 |
+
"`as_linear_operator` is True.")
|
| 463 |
+
|
| 464 |
+
def fun_wrapped(x):
|
| 465 |
+
# send user function same fp type as x0. (but only if cs is not being
|
| 466 |
+
# used
|
| 467 |
+
if xp.isdtype(x.dtype, "real floating"):
|
| 468 |
+
x = xp.astype(x, x0.dtype)
|
| 469 |
+
|
| 470 |
+
f = np.atleast_1d(fun(x, *args, **kwargs))
|
| 471 |
+
if f.ndim > 1:
|
| 472 |
+
raise RuntimeError("`fun` return value has "
|
| 473 |
+
"more than 1 dimension.")
|
| 474 |
+
return f
|
| 475 |
+
|
| 476 |
+
if f0 is None:
|
| 477 |
+
f0 = fun_wrapped(x0)
|
| 478 |
+
else:
|
| 479 |
+
f0 = np.atleast_1d(f0)
|
| 480 |
+
if f0.ndim > 1:
|
| 481 |
+
raise ValueError("`f0` passed has more than 1 dimension.")
|
| 482 |
+
|
| 483 |
+
if np.any((x0 < lb) | (x0 > ub)):
|
| 484 |
+
raise ValueError("`x0` violates bound constraints.")
|
| 485 |
+
|
| 486 |
+
if as_linear_operator:
|
| 487 |
+
if rel_step is None:
|
| 488 |
+
rel_step = _eps_for_method(x0.dtype, f0.dtype, method)
|
| 489 |
+
|
| 490 |
+
return _linear_operator_difference(fun_wrapped, x0,
|
| 491 |
+
f0, rel_step, method)
|
| 492 |
+
else:
|
| 493 |
+
# by default we use rel_step
|
| 494 |
+
if abs_step is None:
|
| 495 |
+
h = _compute_absolute_step(rel_step, x0, f0, method)
|
| 496 |
+
else:
|
| 497 |
+
# user specifies an absolute step
|
| 498 |
+
sign_x0 = (x0 >= 0).astype(float) * 2 - 1
|
| 499 |
+
h = abs_step
|
| 500 |
+
|
| 501 |
+
# cannot have a zero step. This might happen if x0 is very large
|
| 502 |
+
# or small. In which case fall back to relative step.
|
| 503 |
+
dx = ((x0 + h) - x0)
|
| 504 |
+
h = np.where(dx == 0,
|
| 505 |
+
_eps_for_method(x0.dtype, f0.dtype, method) *
|
| 506 |
+
sign_x0 * np.maximum(1.0, np.abs(x0)),
|
| 507 |
+
h)
|
| 508 |
+
|
| 509 |
+
if method == '2-point':
|
| 510 |
+
h, use_one_sided = _adjust_scheme_to_bounds(
|
| 511 |
+
x0, h, 1, '1-sided', lb, ub)
|
| 512 |
+
elif method == '3-point':
|
| 513 |
+
h, use_one_sided = _adjust_scheme_to_bounds(
|
| 514 |
+
x0, h, 1, '2-sided', lb, ub)
|
| 515 |
+
elif method == 'cs':
|
| 516 |
+
use_one_sided = False
|
| 517 |
+
|
| 518 |
+
if sparsity is None:
|
| 519 |
+
return _dense_difference(fun_wrapped, x0, f0, h,
|
| 520 |
+
use_one_sided, method)
|
| 521 |
+
else:
|
| 522 |
+
if not issparse(sparsity) and len(sparsity) == 2:
|
| 523 |
+
structure, groups = sparsity
|
| 524 |
+
else:
|
| 525 |
+
structure = sparsity
|
| 526 |
+
groups = group_columns(sparsity)
|
| 527 |
+
|
| 528 |
+
if issparse(structure):
|
| 529 |
+
structure = csc_matrix(structure)
|
| 530 |
+
else:
|
| 531 |
+
structure = np.atleast_2d(structure)
|
| 532 |
+
|
| 533 |
+
groups = np.atleast_1d(groups)
|
| 534 |
+
return _sparse_difference(fun_wrapped, x0, f0, h,
|
| 535 |
+
use_one_sided, structure,
|
| 536 |
+
groups, method)
|
| 537 |
+
|
| 538 |
+
|
| 539 |
+
def _linear_operator_difference(fun, x0, f0, h, method):
|
| 540 |
+
m = f0.size
|
| 541 |
+
n = x0.size
|
| 542 |
+
|
| 543 |
+
if method == '2-point':
|
| 544 |
+
def matvec(p):
|
| 545 |
+
if np.array_equal(p, np.zeros_like(p)):
|
| 546 |
+
return np.zeros(m)
|
| 547 |
+
dx = h / norm(p)
|
| 548 |
+
x = x0 + dx*p
|
| 549 |
+
df = fun(x) - f0
|
| 550 |
+
return df / dx
|
| 551 |
+
|
| 552 |
+
elif method == '3-point':
|
| 553 |
+
def matvec(p):
|
| 554 |
+
if np.array_equal(p, np.zeros_like(p)):
|
| 555 |
+
return np.zeros(m)
|
| 556 |
+
dx = 2*h / norm(p)
|
| 557 |
+
x1 = x0 - (dx/2)*p
|
| 558 |
+
x2 = x0 + (dx/2)*p
|
| 559 |
+
f1 = fun(x1)
|
| 560 |
+
f2 = fun(x2)
|
| 561 |
+
df = f2 - f1
|
| 562 |
+
return df / dx
|
| 563 |
+
|
| 564 |
+
elif method == 'cs':
|
| 565 |
+
def matvec(p):
|
| 566 |
+
if np.array_equal(p, np.zeros_like(p)):
|
| 567 |
+
return np.zeros(m)
|
| 568 |
+
dx = h / norm(p)
|
| 569 |
+
x = x0 + dx*p*1.j
|
| 570 |
+
f1 = fun(x)
|
| 571 |
+
df = f1.imag
|
| 572 |
+
return df / dx
|
| 573 |
+
|
| 574 |
+
else:
|
| 575 |
+
raise RuntimeError("Never be here.")
|
| 576 |
+
|
| 577 |
+
return LinearOperator((m, n), matvec)
|
| 578 |
+
|
| 579 |
+
|
| 580 |
+
def _dense_difference(fun, x0, f0, h, use_one_sided, method):
|
| 581 |
+
m = f0.size
|
| 582 |
+
n = x0.size
|
| 583 |
+
J_transposed = np.empty((n, m))
|
| 584 |
+
x1 = x0.copy()
|
| 585 |
+
x2 = x0.copy()
|
| 586 |
+
xc = x0.astype(complex, copy=True)
|
| 587 |
+
|
| 588 |
+
for i in range(h.size):
|
| 589 |
+
if method == '2-point':
|
| 590 |
+
x1[i] += h[i]
|
| 591 |
+
dx = x1[i] - x0[i] # Recompute dx as exactly representable number.
|
| 592 |
+
df = fun(x1) - f0
|
| 593 |
+
elif method == '3-point' and use_one_sided[i]:
|
| 594 |
+
x1[i] += h[i]
|
| 595 |
+
x2[i] += 2 * h[i]
|
| 596 |
+
dx = x2[i] - x0[i]
|
| 597 |
+
f1 = fun(x1)
|
| 598 |
+
f2 = fun(x2)
|
| 599 |
+
df = -3.0 * f0 + 4 * f1 - f2
|
| 600 |
+
elif method == '3-point' and not use_one_sided[i]:
|
| 601 |
+
x1[i] -= h[i]
|
| 602 |
+
x2[i] += h[i]
|
| 603 |
+
dx = x2[i] - x1[i]
|
| 604 |
+
f1 = fun(x1)
|
| 605 |
+
f2 = fun(x2)
|
| 606 |
+
df = f2 - f1
|
| 607 |
+
elif method == 'cs':
|
| 608 |
+
xc[i] += h[i] * 1.j
|
| 609 |
+
f1 = fun(xc)
|
| 610 |
+
df = f1.imag
|
| 611 |
+
dx = h[i]
|
| 612 |
+
else:
|
| 613 |
+
raise RuntimeError("Never be here.")
|
| 614 |
+
|
| 615 |
+
J_transposed[i] = df / dx
|
| 616 |
+
x1[i] = x2[i] = xc[i] = x0[i]
|
| 617 |
+
|
| 618 |
+
if m == 1:
|
| 619 |
+
J_transposed = np.ravel(J_transposed)
|
| 620 |
+
|
| 621 |
+
return J_transposed.T
|
| 622 |
+
|
| 623 |
+
|
| 624 |
+
def _sparse_difference(fun, x0, f0, h, use_one_sided,
|
| 625 |
+
structure, groups, method):
|
| 626 |
+
m = f0.size
|
| 627 |
+
n = x0.size
|
| 628 |
+
row_indices = []
|
| 629 |
+
col_indices = []
|
| 630 |
+
fractions = []
|
| 631 |
+
|
| 632 |
+
n_groups = np.max(groups) + 1
|
| 633 |
+
for group in range(n_groups):
|
| 634 |
+
# Perturb variables which are in the same group simultaneously.
|
| 635 |
+
e = np.equal(group, groups)
|
| 636 |
+
h_vec = h * e
|
| 637 |
+
if method == '2-point':
|
| 638 |
+
x = x0 + h_vec
|
| 639 |
+
dx = x - x0
|
| 640 |
+
df = fun(x) - f0
|
| 641 |
+
# The result is written to columns which correspond to perturbed
|
| 642 |
+
# variables.
|
| 643 |
+
cols, = np.nonzero(e)
|
| 644 |
+
# Find all non-zero elements in selected columns of Jacobian.
|
| 645 |
+
i, j, _ = find(structure[:, cols])
|
| 646 |
+
# Restore column indices in the full array.
|
| 647 |
+
j = cols[j]
|
| 648 |
+
elif method == '3-point':
|
| 649 |
+
# Here we do conceptually the same but separate one-sided
|
| 650 |
+
# and two-sided schemes.
|
| 651 |
+
x1 = x0.copy()
|
| 652 |
+
x2 = x0.copy()
|
| 653 |
+
|
| 654 |
+
mask_1 = use_one_sided & e
|
| 655 |
+
x1[mask_1] += h_vec[mask_1]
|
| 656 |
+
x2[mask_1] += 2 * h_vec[mask_1]
|
| 657 |
+
|
| 658 |
+
mask_2 = ~use_one_sided & e
|
| 659 |
+
x1[mask_2] -= h_vec[mask_2]
|
| 660 |
+
x2[mask_2] += h_vec[mask_2]
|
| 661 |
+
|
| 662 |
+
dx = np.zeros(n)
|
| 663 |
+
dx[mask_1] = x2[mask_1] - x0[mask_1]
|
| 664 |
+
dx[mask_2] = x2[mask_2] - x1[mask_2]
|
| 665 |
+
|
| 666 |
+
f1 = fun(x1)
|
| 667 |
+
f2 = fun(x2)
|
| 668 |
+
|
| 669 |
+
cols, = np.nonzero(e)
|
| 670 |
+
i, j, _ = find(structure[:, cols])
|
| 671 |
+
j = cols[j]
|
| 672 |
+
|
| 673 |
+
mask = use_one_sided[j]
|
| 674 |
+
df = np.empty(m)
|
| 675 |
+
|
| 676 |
+
rows = i[mask]
|
| 677 |
+
df[rows] = -3 * f0[rows] + 4 * f1[rows] - f2[rows]
|
| 678 |
+
|
| 679 |
+
rows = i[~mask]
|
| 680 |
+
df[rows] = f2[rows] - f1[rows]
|
| 681 |
+
elif method == 'cs':
|
| 682 |
+
f1 = fun(x0 + h_vec*1.j)
|
| 683 |
+
df = f1.imag
|
| 684 |
+
dx = h_vec
|
| 685 |
+
cols, = np.nonzero(e)
|
| 686 |
+
i, j, _ = find(structure[:, cols])
|
| 687 |
+
j = cols[j]
|
| 688 |
+
else:
|
| 689 |
+
raise ValueError("Never be here.")
|
| 690 |
+
|
| 691 |
+
# All that's left is to compute the fraction. We store i, j and
|
| 692 |
+
# fractions as separate arrays and later construct coo_matrix.
|
| 693 |
+
row_indices.append(i)
|
| 694 |
+
col_indices.append(j)
|
| 695 |
+
fractions.append(df[i] / dx[j])
|
| 696 |
+
|
| 697 |
+
row_indices = np.hstack(row_indices)
|
| 698 |
+
col_indices = np.hstack(col_indices)
|
| 699 |
+
fractions = np.hstack(fractions)
|
| 700 |
+
J = coo_matrix((fractions, (row_indices, col_indices)), shape=(m, n))
|
| 701 |
+
return csr_matrix(J)
|
| 702 |
+
|
| 703 |
+
|
| 704 |
+
def check_derivative(fun, jac, x0, bounds=(-np.inf, np.inf), args=(),
|
| 705 |
+
kwargs={}):
|
| 706 |
+
"""Check correctness of a function computing derivatives (Jacobian or
|
| 707 |
+
gradient) by comparison with a finite difference approximation.
|
| 708 |
+
|
| 709 |
+
Parameters
|
| 710 |
+
----------
|
| 711 |
+
fun : callable
|
| 712 |
+
Function of which to estimate the derivatives. The argument x
|
| 713 |
+
passed to this function is ndarray of shape (n,) (never a scalar
|
| 714 |
+
even if n=1). It must return 1-D array_like of shape (m,) or a scalar.
|
| 715 |
+
jac : callable
|
| 716 |
+
Function which computes Jacobian matrix of `fun`. It must work with
|
| 717 |
+
argument x the same way as `fun`. The return value must be array_like
|
| 718 |
+
or sparse matrix with an appropriate shape.
|
| 719 |
+
x0 : array_like of shape (n,) or float
|
| 720 |
+
Point at which to estimate the derivatives. Float will be converted
|
| 721 |
+
to 1-D array.
|
| 722 |
+
bounds : 2-tuple of array_like, optional
|
| 723 |
+
Lower and upper bounds on independent variables. Defaults to no bounds.
|
| 724 |
+
Each bound must match the size of `x0` or be a scalar, in the latter
|
| 725 |
+
case the bound will be the same for all variables. Use it to limit the
|
| 726 |
+
range of function evaluation.
|
| 727 |
+
args, kwargs : tuple and dict, optional
|
| 728 |
+
Additional arguments passed to `fun` and `jac`. Both empty by default.
|
| 729 |
+
The calling signature is ``fun(x, *args, **kwargs)`` and the same
|
| 730 |
+
for `jac`.
|
| 731 |
+
|
| 732 |
+
Returns
|
| 733 |
+
-------
|
| 734 |
+
accuracy : float
|
| 735 |
+
The maximum among all relative errors for elements with absolute values
|
| 736 |
+
higher than 1 and absolute errors for elements with absolute values
|
| 737 |
+
less or equal than 1. If `accuracy` is on the order of 1e-6 or lower,
|
| 738 |
+
then it is likely that your `jac` implementation is correct.
|
| 739 |
+
|
| 740 |
+
See Also
|
| 741 |
+
--------
|
| 742 |
+
approx_derivative : Compute finite difference approximation of derivative.
|
| 743 |
+
|
| 744 |
+
Examples
|
| 745 |
+
--------
|
| 746 |
+
>>> import numpy as np
|
| 747 |
+
>>> from scipy.optimize._numdiff import check_derivative
|
| 748 |
+
>>>
|
| 749 |
+
>>>
|
| 750 |
+
>>> def f(x, c1, c2):
|
| 751 |
+
... return np.array([x[0] * np.sin(c1 * x[1]),
|
| 752 |
+
... x[0] * np.cos(c2 * x[1])])
|
| 753 |
+
...
|
| 754 |
+
>>> def jac(x, c1, c2):
|
| 755 |
+
... return np.array([
|
| 756 |
+
... [np.sin(c1 * x[1]), c1 * x[0] * np.cos(c1 * x[1])],
|
| 757 |
+
... [np.cos(c2 * x[1]), -c2 * x[0] * np.sin(c2 * x[1])]
|
| 758 |
+
... ])
|
| 759 |
+
...
|
| 760 |
+
>>>
|
| 761 |
+
>>> x0 = np.array([1.0, 0.5 * np.pi])
|
| 762 |
+
>>> check_derivative(f, jac, x0, args=(1, 2))
|
| 763 |
+
2.4492935982947064e-16
|
| 764 |
+
"""
|
| 765 |
+
J_to_test = jac(x0, *args, **kwargs)
|
| 766 |
+
if issparse(J_to_test):
|
| 767 |
+
J_diff = approx_derivative(fun, x0, bounds=bounds, sparsity=J_to_test,
|
| 768 |
+
args=args, kwargs=kwargs)
|
| 769 |
+
J_to_test = csr_matrix(J_to_test)
|
| 770 |
+
abs_err = J_to_test - J_diff
|
| 771 |
+
i, j, abs_err_data = find(abs_err)
|
| 772 |
+
J_diff_data = np.asarray(J_diff[i, j]).ravel()
|
| 773 |
+
return np.max(np.abs(abs_err_data) /
|
| 774 |
+
np.maximum(1, np.abs(J_diff_data)))
|
| 775 |
+
else:
|
| 776 |
+
J_diff = approx_derivative(fun, x0, bounds=bounds,
|
| 777 |
+
args=args, kwargs=kwargs)
|
| 778 |
+
abs_err = np.abs(J_to_test - J_diff)
|
| 779 |
+
return np.max(abs_err / np.maximum(1, np.abs(J_diff)))
|
vila/lib/python3.10/site-packages/scipy/optimize/_optimize.py
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_pava_pybind.cpython-310-x86_64-linux-gnu.so
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:eea00160871368c5807d7825188089b3fdb35c1373133b5b4c504be8a5dc9d2c
|
| 3 |
+
size 223832
|
vila/lib/python3.10/site-packages/scipy/optimize/_root_scalar.py
ADDED
|
@@ -0,0 +1,525 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
|
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|
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|
|
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|
|
|
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|
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|
|
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|
|
|
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|
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|
|
|
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|
|
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|
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|
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|
|
|
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|
|
|
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|
|
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|
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|
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|
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|
|
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|
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|
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|
|
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|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
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|
|
|
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|
|
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|
| 1 |
+
"""
|
| 2 |
+
Unified interfaces to root finding algorithms for real or complex
|
| 3 |
+
scalar functions.
|
| 4 |
+
|
| 5 |
+
Functions
|
| 6 |
+
---------
|
| 7 |
+
- root : find a root of a scalar function.
|
| 8 |
+
"""
|
| 9 |
+
import numpy as np
|
| 10 |
+
|
| 11 |
+
from . import _zeros_py as optzeros
|
| 12 |
+
from ._numdiff import approx_derivative
|
| 13 |
+
|
| 14 |
+
__all__ = ['root_scalar']
|
| 15 |
+
|
| 16 |
+
ROOT_SCALAR_METHODS = ['bisect', 'brentq', 'brenth', 'ridder', 'toms748',
|
| 17 |
+
'newton', 'secant', 'halley']
|
| 18 |
+
|
| 19 |
+
|
| 20 |
+
class MemoizeDer:
|
| 21 |
+
"""Decorator that caches the value and derivative(s) of function each
|
| 22 |
+
time it is called.
|
| 23 |
+
|
| 24 |
+
This is a simplistic memoizer that calls and caches a single value
|
| 25 |
+
of `f(x, *args)`.
|
| 26 |
+
It assumes that `args` does not change between invocations.
|
| 27 |
+
It supports the use case of a root-finder where `args` is fixed,
|
| 28 |
+
`x` changes, and only rarely, if at all, does x assume the same value
|
| 29 |
+
more than once."""
|
| 30 |
+
def __init__(self, fun):
|
| 31 |
+
self.fun = fun
|
| 32 |
+
self.vals = None
|
| 33 |
+
self.x = None
|
| 34 |
+
self.n_calls = 0
|
| 35 |
+
|
| 36 |
+
def __call__(self, x, *args):
|
| 37 |
+
r"""Calculate f or use cached value if available"""
|
| 38 |
+
# Derivative may be requested before the function itself, always check
|
| 39 |
+
if self.vals is None or x != self.x:
|
| 40 |
+
fg = self.fun(x, *args)
|
| 41 |
+
self.x = x
|
| 42 |
+
self.n_calls += 1
|
| 43 |
+
self.vals = fg[:]
|
| 44 |
+
return self.vals[0]
|
| 45 |
+
|
| 46 |
+
def fprime(self, x, *args):
|
| 47 |
+
r"""Calculate f' or use a cached value if available"""
|
| 48 |
+
if self.vals is None or x != self.x:
|
| 49 |
+
self(x, *args)
|
| 50 |
+
return self.vals[1]
|
| 51 |
+
|
| 52 |
+
def fprime2(self, x, *args):
|
| 53 |
+
r"""Calculate f'' or use a cached value if available"""
|
| 54 |
+
if self.vals is None or x != self.x:
|
| 55 |
+
self(x, *args)
|
| 56 |
+
return self.vals[2]
|
| 57 |
+
|
| 58 |
+
def ncalls(self):
|
| 59 |
+
return self.n_calls
|
| 60 |
+
|
| 61 |
+
|
| 62 |
+
def root_scalar(f, args=(), method=None, bracket=None,
|
| 63 |
+
fprime=None, fprime2=None,
|
| 64 |
+
x0=None, x1=None,
|
| 65 |
+
xtol=None, rtol=None, maxiter=None,
|
| 66 |
+
options=None):
|
| 67 |
+
"""
|
| 68 |
+
Find a root of a scalar function.
|
| 69 |
+
|
| 70 |
+
Parameters
|
| 71 |
+
----------
|
| 72 |
+
f : callable
|
| 73 |
+
A function to find a root of.
|
| 74 |
+
args : tuple, optional
|
| 75 |
+
Extra arguments passed to the objective function and its derivative(s).
|
| 76 |
+
method : str, optional
|
| 77 |
+
Type of solver. Should be one of
|
| 78 |
+
|
| 79 |
+
- 'bisect' :ref:`(see here) <optimize.root_scalar-bisect>`
|
| 80 |
+
- 'brentq' :ref:`(see here) <optimize.root_scalar-brentq>`
|
| 81 |
+
- 'brenth' :ref:`(see here) <optimize.root_scalar-brenth>`
|
| 82 |
+
- 'ridder' :ref:`(see here) <optimize.root_scalar-ridder>`
|
| 83 |
+
- 'toms748' :ref:`(see here) <optimize.root_scalar-toms748>`
|
| 84 |
+
- 'newton' :ref:`(see here) <optimize.root_scalar-newton>`
|
| 85 |
+
- 'secant' :ref:`(see here) <optimize.root_scalar-secant>`
|
| 86 |
+
- 'halley' :ref:`(see here) <optimize.root_scalar-halley>`
|
| 87 |
+
|
| 88 |
+
bracket: A sequence of 2 floats, optional
|
| 89 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 90 |
+
signs at the two endpoints.
|
| 91 |
+
x0 : float, optional
|
| 92 |
+
Initial guess.
|
| 93 |
+
x1 : float, optional
|
| 94 |
+
A second guess.
|
| 95 |
+
fprime : bool or callable, optional
|
| 96 |
+
If `fprime` is a boolean and is True, `f` is assumed to return the
|
| 97 |
+
value of the objective function and of the derivative.
|
| 98 |
+
`fprime` can also be a callable returning the derivative of `f`. In
|
| 99 |
+
this case, it must accept the same arguments as `f`.
|
| 100 |
+
fprime2 : bool or callable, optional
|
| 101 |
+
If `fprime2` is a boolean and is True, `f` is assumed to return the
|
| 102 |
+
value of the objective function and of the
|
| 103 |
+
first and second derivatives.
|
| 104 |
+
`fprime2` can also be a callable returning the second derivative of `f`.
|
| 105 |
+
In this case, it must accept the same arguments as `f`.
|
| 106 |
+
xtol : float, optional
|
| 107 |
+
Tolerance (absolute) for termination.
|
| 108 |
+
rtol : float, optional
|
| 109 |
+
Tolerance (relative) for termination.
|
| 110 |
+
maxiter : int, optional
|
| 111 |
+
Maximum number of iterations.
|
| 112 |
+
options : dict, optional
|
| 113 |
+
A dictionary of solver options. E.g., ``k``, see
|
| 114 |
+
:obj:`show_options()` for details.
|
| 115 |
+
|
| 116 |
+
Returns
|
| 117 |
+
-------
|
| 118 |
+
sol : RootResults
|
| 119 |
+
The solution represented as a ``RootResults`` object.
|
| 120 |
+
Important attributes are: ``root`` the solution , ``converged`` a
|
| 121 |
+
boolean flag indicating if the algorithm exited successfully and
|
| 122 |
+
``flag`` which describes the cause of the termination. See
|
| 123 |
+
`RootResults` for a description of other attributes.
|
| 124 |
+
|
| 125 |
+
See also
|
| 126 |
+
--------
|
| 127 |
+
show_options : Additional options accepted by the solvers
|
| 128 |
+
root : Find a root of a vector function.
|
| 129 |
+
|
| 130 |
+
Notes
|
| 131 |
+
-----
|
| 132 |
+
This section describes the available solvers that can be selected by the
|
| 133 |
+
'method' parameter.
|
| 134 |
+
|
| 135 |
+
The default is to use the best method available for the situation
|
| 136 |
+
presented.
|
| 137 |
+
If a bracket is provided, it may use one of the bracketing methods.
|
| 138 |
+
If a derivative and an initial value are specified, it may
|
| 139 |
+
select one of the derivative-based methods.
|
| 140 |
+
If no method is judged applicable, it will raise an Exception.
|
| 141 |
+
|
| 142 |
+
Arguments for each method are as follows (x=required, o=optional).
|
| 143 |
+
|
| 144 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 145 |
+
| method | f | args | bracket | x0 | x1 | fprime | fprime2 | xtol | rtol | maxiter | options |
|
| 146 |
+
+===============================================+===+======+=========+====+====+========+=========+======+======+=========+=========+
|
| 147 |
+
| :ref:`bisect <optimize.root_scalar-bisect>` | x | o | x | | | | | o | o | o | o |
|
| 148 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 149 |
+
| :ref:`brentq <optimize.root_scalar-brentq>` | x | o | x | | | | | o | o | o | o |
|
| 150 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 151 |
+
| :ref:`brenth <optimize.root_scalar-brenth>` | x | o | x | | | | | o | o | o | o |
|
| 152 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 153 |
+
| :ref:`ridder <optimize.root_scalar-ridder>` | x | o | x | | | | | o | o | o | o |
|
| 154 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 155 |
+
| :ref:`toms748 <optimize.root_scalar-toms748>` | x | o | x | | | | | o | o | o | o |
|
| 156 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 157 |
+
| :ref:`secant <optimize.root_scalar-secant>` | x | o | | x | o | | | o | o | o | o |
|
| 158 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 159 |
+
| :ref:`newton <optimize.root_scalar-newton>` | x | o | | x | | o | | o | o | o | o |
|
| 160 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 161 |
+
| :ref:`halley <optimize.root_scalar-halley>` | x | o | | x | | x | x | o | o | o | o |
|
| 162 |
+
+-----------------------------------------------+---+------+---------+----+----+--------+---------+------+------+---------+---------+
|
| 163 |
+
|
| 164 |
+
Examples
|
| 165 |
+
--------
|
| 166 |
+
|
| 167 |
+
Find the root of a simple cubic
|
| 168 |
+
|
| 169 |
+
>>> from scipy import optimize
|
| 170 |
+
>>> def f(x):
|
| 171 |
+
... return (x**3 - 1) # only one real root at x = 1
|
| 172 |
+
|
| 173 |
+
>>> def fprime(x):
|
| 174 |
+
... return 3*x**2
|
| 175 |
+
|
| 176 |
+
The `brentq` method takes as input a bracket
|
| 177 |
+
|
| 178 |
+
>>> sol = optimize.root_scalar(f, bracket=[0, 3], method='brentq')
|
| 179 |
+
>>> sol.root, sol.iterations, sol.function_calls
|
| 180 |
+
(1.0, 10, 11)
|
| 181 |
+
|
| 182 |
+
The `newton` method takes as input a single point and uses the
|
| 183 |
+
derivative(s).
|
| 184 |
+
|
| 185 |
+
>>> sol = optimize.root_scalar(f, x0=0.2, fprime=fprime, method='newton')
|
| 186 |
+
>>> sol.root, sol.iterations, sol.function_calls
|
| 187 |
+
(1.0, 11, 22)
|
| 188 |
+
|
| 189 |
+
The function can provide the value and derivative(s) in a single call.
|
| 190 |
+
|
| 191 |
+
>>> def f_p_pp(x):
|
| 192 |
+
... return (x**3 - 1), 3*x**2, 6*x
|
| 193 |
+
|
| 194 |
+
>>> sol = optimize.root_scalar(
|
| 195 |
+
... f_p_pp, x0=0.2, fprime=True, method='newton'
|
| 196 |
+
... )
|
| 197 |
+
>>> sol.root, sol.iterations, sol.function_calls
|
| 198 |
+
(1.0, 11, 11)
|
| 199 |
+
|
| 200 |
+
>>> sol = optimize.root_scalar(
|
| 201 |
+
... f_p_pp, x0=0.2, fprime=True, fprime2=True, method='halley'
|
| 202 |
+
... )
|
| 203 |
+
>>> sol.root, sol.iterations, sol.function_calls
|
| 204 |
+
(1.0, 7, 8)
|
| 205 |
+
|
| 206 |
+
|
| 207 |
+
""" # noqa: E501
|
| 208 |
+
if not isinstance(args, tuple):
|
| 209 |
+
args = (args,)
|
| 210 |
+
|
| 211 |
+
if options is None:
|
| 212 |
+
options = {}
|
| 213 |
+
|
| 214 |
+
# fun also returns the derivative(s)
|
| 215 |
+
is_memoized = False
|
| 216 |
+
if fprime2 is not None and not callable(fprime2):
|
| 217 |
+
if bool(fprime2):
|
| 218 |
+
f = MemoizeDer(f)
|
| 219 |
+
is_memoized = True
|
| 220 |
+
fprime2 = f.fprime2
|
| 221 |
+
fprime = f.fprime
|
| 222 |
+
else:
|
| 223 |
+
fprime2 = None
|
| 224 |
+
if fprime is not None and not callable(fprime):
|
| 225 |
+
if bool(fprime):
|
| 226 |
+
f = MemoizeDer(f)
|
| 227 |
+
is_memoized = True
|
| 228 |
+
fprime = f.fprime
|
| 229 |
+
else:
|
| 230 |
+
fprime = None
|
| 231 |
+
|
| 232 |
+
# respect solver-specific default tolerances - only pass in if actually set
|
| 233 |
+
kwargs = {}
|
| 234 |
+
for k in ['xtol', 'rtol', 'maxiter']:
|
| 235 |
+
v = locals().get(k)
|
| 236 |
+
if v is not None:
|
| 237 |
+
kwargs[k] = v
|
| 238 |
+
|
| 239 |
+
# Set any solver-specific options
|
| 240 |
+
if options:
|
| 241 |
+
kwargs.update(options)
|
| 242 |
+
# Always request full_output from the underlying method as _root_scalar
|
| 243 |
+
# always returns a RootResults object
|
| 244 |
+
kwargs.update(full_output=True, disp=False)
|
| 245 |
+
|
| 246 |
+
# Pick a method if not specified.
|
| 247 |
+
# Use the "best" method available for the situation.
|
| 248 |
+
if not method:
|
| 249 |
+
if bracket:
|
| 250 |
+
method = 'brentq'
|
| 251 |
+
elif x0 is not None:
|
| 252 |
+
if fprime:
|
| 253 |
+
if fprime2:
|
| 254 |
+
method = 'halley'
|
| 255 |
+
else:
|
| 256 |
+
method = 'newton'
|
| 257 |
+
elif x1 is not None:
|
| 258 |
+
method = 'secant'
|
| 259 |
+
else:
|
| 260 |
+
method = 'newton'
|
| 261 |
+
if not method:
|
| 262 |
+
raise ValueError('Unable to select a solver as neither bracket '
|
| 263 |
+
'nor starting point provided.')
|
| 264 |
+
|
| 265 |
+
meth = method.lower()
|
| 266 |
+
map2underlying = {'halley': 'newton', 'secant': 'newton'}
|
| 267 |
+
|
| 268 |
+
try:
|
| 269 |
+
methodc = getattr(optzeros, map2underlying.get(meth, meth))
|
| 270 |
+
except AttributeError as e:
|
| 271 |
+
raise ValueError('Unknown solver %s' % meth) from e
|
| 272 |
+
|
| 273 |
+
if meth in ['bisect', 'ridder', 'brentq', 'brenth', 'toms748']:
|
| 274 |
+
if not isinstance(bracket, (list, tuple, np.ndarray)):
|
| 275 |
+
raise ValueError('Bracket needed for %s' % method)
|
| 276 |
+
|
| 277 |
+
a, b = bracket[:2]
|
| 278 |
+
try:
|
| 279 |
+
r, sol = methodc(f, a, b, args=args, **kwargs)
|
| 280 |
+
except ValueError as e:
|
| 281 |
+
# gh-17622 fixed some bugs in low-level solvers by raising an error
|
| 282 |
+
# (rather than returning incorrect results) when the callable
|
| 283 |
+
# returns a NaN. It did so by wrapping the callable rather than
|
| 284 |
+
# modifying compiled code, so the iteration count is not available.
|
| 285 |
+
if hasattr(e, "_x"):
|
| 286 |
+
sol = optzeros.RootResults(root=e._x,
|
| 287 |
+
iterations=np.nan,
|
| 288 |
+
function_calls=e._function_calls,
|
| 289 |
+
flag=str(e), method=method)
|
| 290 |
+
else:
|
| 291 |
+
raise
|
| 292 |
+
|
| 293 |
+
elif meth in ['secant']:
|
| 294 |
+
if x0 is None:
|
| 295 |
+
raise ValueError('x0 must not be None for %s' % method)
|
| 296 |
+
if 'xtol' in kwargs:
|
| 297 |
+
kwargs['tol'] = kwargs.pop('xtol')
|
| 298 |
+
r, sol = methodc(f, x0, args=args, fprime=None, fprime2=None,
|
| 299 |
+
x1=x1, **kwargs)
|
| 300 |
+
elif meth in ['newton']:
|
| 301 |
+
if x0 is None:
|
| 302 |
+
raise ValueError('x0 must not be None for %s' % method)
|
| 303 |
+
if not fprime:
|
| 304 |
+
# approximate fprime with finite differences
|
| 305 |
+
|
| 306 |
+
def fprime(x, *args):
|
| 307 |
+
# `root_scalar` doesn't actually seem to support vectorized
|
| 308 |
+
# use of `newton`. In that case, `approx_derivative` will
|
| 309 |
+
# always get scalar input. Nonetheless, it always returns an
|
| 310 |
+
# array, so we extract the element to produce scalar output.
|
| 311 |
+
return approx_derivative(f, x, method='2-point', args=args)[0]
|
| 312 |
+
|
| 313 |
+
if 'xtol' in kwargs:
|
| 314 |
+
kwargs['tol'] = kwargs.pop('xtol')
|
| 315 |
+
r, sol = methodc(f, x0, args=args, fprime=fprime, fprime2=None,
|
| 316 |
+
**kwargs)
|
| 317 |
+
elif meth in ['halley']:
|
| 318 |
+
if x0 is None:
|
| 319 |
+
raise ValueError('x0 must not be None for %s' % method)
|
| 320 |
+
if not fprime:
|
| 321 |
+
raise ValueError('fprime must be specified for %s' % method)
|
| 322 |
+
if not fprime2:
|
| 323 |
+
raise ValueError('fprime2 must be specified for %s' % method)
|
| 324 |
+
if 'xtol' in kwargs:
|
| 325 |
+
kwargs['tol'] = kwargs.pop('xtol')
|
| 326 |
+
r, sol = methodc(f, x0, args=args, fprime=fprime, fprime2=fprime2, **kwargs)
|
| 327 |
+
else:
|
| 328 |
+
raise ValueError('Unknown solver %s' % method)
|
| 329 |
+
|
| 330 |
+
if is_memoized:
|
| 331 |
+
# Replace the function_calls count with the memoized count.
|
| 332 |
+
# Avoids double and triple-counting.
|
| 333 |
+
n_calls = f.n_calls
|
| 334 |
+
sol.function_calls = n_calls
|
| 335 |
+
|
| 336 |
+
return sol
|
| 337 |
+
|
| 338 |
+
|
| 339 |
+
def _root_scalar_brentq_doc():
|
| 340 |
+
r"""
|
| 341 |
+
Options
|
| 342 |
+
-------
|
| 343 |
+
args : tuple, optional
|
| 344 |
+
Extra arguments passed to the objective function.
|
| 345 |
+
bracket: A sequence of 2 floats, optional
|
| 346 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 347 |
+
signs at the two endpoints.
|
| 348 |
+
xtol : float, optional
|
| 349 |
+
Tolerance (absolute) for termination.
|
| 350 |
+
rtol : float, optional
|
| 351 |
+
Tolerance (relative) for termination.
|
| 352 |
+
maxiter : int, optional
|
| 353 |
+
Maximum number of iterations.
|
| 354 |
+
options: dict, optional
|
| 355 |
+
Specifies any method-specific options not covered above
|
| 356 |
+
|
| 357 |
+
"""
|
| 358 |
+
pass
|
| 359 |
+
|
| 360 |
+
|
| 361 |
+
def _root_scalar_brenth_doc():
|
| 362 |
+
r"""
|
| 363 |
+
Options
|
| 364 |
+
-------
|
| 365 |
+
args : tuple, optional
|
| 366 |
+
Extra arguments passed to the objective function.
|
| 367 |
+
bracket: A sequence of 2 floats, optional
|
| 368 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 369 |
+
signs at the two endpoints.
|
| 370 |
+
xtol : float, optional
|
| 371 |
+
Tolerance (absolute) for termination.
|
| 372 |
+
rtol : float, optional
|
| 373 |
+
Tolerance (relative) for termination.
|
| 374 |
+
maxiter : int, optional
|
| 375 |
+
Maximum number of iterations.
|
| 376 |
+
options: dict, optional
|
| 377 |
+
Specifies any method-specific options not covered above.
|
| 378 |
+
|
| 379 |
+
"""
|
| 380 |
+
pass
|
| 381 |
+
|
| 382 |
+
def _root_scalar_toms748_doc():
|
| 383 |
+
r"""
|
| 384 |
+
Options
|
| 385 |
+
-------
|
| 386 |
+
args : tuple, optional
|
| 387 |
+
Extra arguments passed to the objective function.
|
| 388 |
+
bracket: A sequence of 2 floats, optional
|
| 389 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 390 |
+
signs at the two endpoints.
|
| 391 |
+
xtol : float, optional
|
| 392 |
+
Tolerance (absolute) for termination.
|
| 393 |
+
rtol : float, optional
|
| 394 |
+
Tolerance (relative) for termination.
|
| 395 |
+
maxiter : int, optional
|
| 396 |
+
Maximum number of iterations.
|
| 397 |
+
options: dict, optional
|
| 398 |
+
Specifies any method-specific options not covered above.
|
| 399 |
+
|
| 400 |
+
"""
|
| 401 |
+
pass
|
| 402 |
+
|
| 403 |
+
|
| 404 |
+
def _root_scalar_secant_doc():
|
| 405 |
+
r"""
|
| 406 |
+
Options
|
| 407 |
+
-------
|
| 408 |
+
args : tuple, optional
|
| 409 |
+
Extra arguments passed to the objective function.
|
| 410 |
+
xtol : float, optional
|
| 411 |
+
Tolerance (absolute) for termination.
|
| 412 |
+
rtol : float, optional
|
| 413 |
+
Tolerance (relative) for termination.
|
| 414 |
+
maxiter : int, optional
|
| 415 |
+
Maximum number of iterations.
|
| 416 |
+
x0 : float, required
|
| 417 |
+
Initial guess.
|
| 418 |
+
x1 : float, required
|
| 419 |
+
A second guess.
|
| 420 |
+
options: dict, optional
|
| 421 |
+
Specifies any method-specific options not covered above.
|
| 422 |
+
|
| 423 |
+
"""
|
| 424 |
+
pass
|
| 425 |
+
|
| 426 |
+
|
| 427 |
+
def _root_scalar_newton_doc():
|
| 428 |
+
r"""
|
| 429 |
+
Options
|
| 430 |
+
-------
|
| 431 |
+
args : tuple, optional
|
| 432 |
+
Extra arguments passed to the objective function and its derivative.
|
| 433 |
+
xtol : float, optional
|
| 434 |
+
Tolerance (absolute) for termination.
|
| 435 |
+
rtol : float, optional
|
| 436 |
+
Tolerance (relative) for termination.
|
| 437 |
+
maxiter : int, optional
|
| 438 |
+
Maximum number of iterations.
|
| 439 |
+
x0 : float, required
|
| 440 |
+
Initial guess.
|
| 441 |
+
fprime : bool or callable, optional
|
| 442 |
+
If `fprime` is a boolean and is True, `f` is assumed to return the
|
| 443 |
+
value of derivative along with the objective function.
|
| 444 |
+
`fprime` can also be a callable returning the derivative of `f`. In
|
| 445 |
+
this case, it must accept the same arguments as `f`.
|
| 446 |
+
options: dict, optional
|
| 447 |
+
Specifies any method-specific options not covered above.
|
| 448 |
+
|
| 449 |
+
"""
|
| 450 |
+
pass
|
| 451 |
+
|
| 452 |
+
|
| 453 |
+
def _root_scalar_halley_doc():
|
| 454 |
+
r"""
|
| 455 |
+
Options
|
| 456 |
+
-------
|
| 457 |
+
args : tuple, optional
|
| 458 |
+
Extra arguments passed to the objective function and its derivatives.
|
| 459 |
+
xtol : float, optional
|
| 460 |
+
Tolerance (absolute) for termination.
|
| 461 |
+
rtol : float, optional
|
| 462 |
+
Tolerance (relative) for termination.
|
| 463 |
+
maxiter : int, optional
|
| 464 |
+
Maximum number of iterations.
|
| 465 |
+
x0 : float, required
|
| 466 |
+
Initial guess.
|
| 467 |
+
fprime : bool or callable, required
|
| 468 |
+
If `fprime` is a boolean and is True, `f` is assumed to return the
|
| 469 |
+
value of derivative along with the objective function.
|
| 470 |
+
`fprime` can also be a callable returning the derivative of `f`. In
|
| 471 |
+
this case, it must accept the same arguments as `f`.
|
| 472 |
+
fprime2 : bool or callable, required
|
| 473 |
+
If `fprime2` is a boolean and is True, `f` is assumed to return the
|
| 474 |
+
value of 1st and 2nd derivatives along with the objective function.
|
| 475 |
+
`fprime2` can also be a callable returning the 2nd derivative of `f`.
|
| 476 |
+
In this case, it must accept the same arguments as `f`.
|
| 477 |
+
options: dict, optional
|
| 478 |
+
Specifies any method-specific options not covered above.
|
| 479 |
+
|
| 480 |
+
"""
|
| 481 |
+
pass
|
| 482 |
+
|
| 483 |
+
|
| 484 |
+
def _root_scalar_ridder_doc():
|
| 485 |
+
r"""
|
| 486 |
+
Options
|
| 487 |
+
-------
|
| 488 |
+
args : tuple, optional
|
| 489 |
+
Extra arguments passed to the objective function.
|
| 490 |
+
bracket: A sequence of 2 floats, optional
|
| 491 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 492 |
+
signs at the two endpoints.
|
| 493 |
+
xtol : float, optional
|
| 494 |
+
Tolerance (absolute) for termination.
|
| 495 |
+
rtol : float, optional
|
| 496 |
+
Tolerance (relative) for termination.
|
| 497 |
+
maxiter : int, optional
|
| 498 |
+
Maximum number of iterations.
|
| 499 |
+
options: dict, optional
|
| 500 |
+
Specifies any method-specific options not covered above.
|
| 501 |
+
|
| 502 |
+
"""
|
| 503 |
+
pass
|
| 504 |
+
|
| 505 |
+
|
| 506 |
+
def _root_scalar_bisect_doc():
|
| 507 |
+
r"""
|
| 508 |
+
Options
|
| 509 |
+
-------
|
| 510 |
+
args : tuple, optional
|
| 511 |
+
Extra arguments passed to the objective function.
|
| 512 |
+
bracket: A sequence of 2 floats, optional
|
| 513 |
+
An interval bracketing a root. `f(x, *args)` must have different
|
| 514 |
+
signs at the two endpoints.
|
| 515 |
+
xtol : float, optional
|
| 516 |
+
Tolerance (absolute) for termination.
|
| 517 |
+
rtol : float, optional
|
| 518 |
+
Tolerance (relative) for termination.
|
| 519 |
+
maxiter : int, optional
|
| 520 |
+
Maximum number of iterations.
|
| 521 |
+
options: dict, optional
|
| 522 |
+
Specifies any method-specific options not covered above.
|
| 523 |
+
|
| 524 |
+
"""
|
| 525 |
+
pass
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__init__.py
ADDED
|
File without changes
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/__init__.cpython-310.pyc
ADDED
|
Binary file (174 Bytes). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/_complex.cpython-310.pyc
ADDED
|
Binary file (23 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/__pycache__/_vertex.cpython-310.pyc
ADDED
|
Binary file (14.4 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/_complex.py
ADDED
|
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|
| 1 |
+
"""Base classes for low memory simplicial complex structures."""
|
| 2 |
+
import copy
|
| 3 |
+
import logging
|
| 4 |
+
import itertools
|
| 5 |
+
import decimal
|
| 6 |
+
from functools import cache
|
| 7 |
+
|
| 8 |
+
import numpy as np
|
| 9 |
+
|
| 10 |
+
from ._vertex import (VertexCacheField, VertexCacheIndex)
|
| 11 |
+
|
| 12 |
+
|
| 13 |
+
class Complex:
|
| 14 |
+
"""
|
| 15 |
+
Base class for a simplicial complex described as a cache of vertices
|
| 16 |
+
together with their connections.
|
| 17 |
+
|
| 18 |
+
Important methods:
|
| 19 |
+
Domain triangulation:
|
| 20 |
+
Complex.triangulate, Complex.split_generation
|
| 21 |
+
Triangulating arbitrary points (must be traingulable,
|
| 22 |
+
may exist outside domain):
|
| 23 |
+
Complex.triangulate(sample_set)
|
| 24 |
+
Converting another simplicial complex structure data type to the
|
| 25 |
+
structure used in Complex (ex. OBJ wavefront)
|
| 26 |
+
Complex.convert(datatype, data)
|
| 27 |
+
|
| 28 |
+
Important objects:
|
| 29 |
+
HC.V: The cache of vertices and their connection
|
| 30 |
+
HC.H: Storage structure of all vertex groups
|
| 31 |
+
|
| 32 |
+
Parameters
|
| 33 |
+
----------
|
| 34 |
+
dim : int
|
| 35 |
+
Spatial dimensionality of the complex R^dim
|
| 36 |
+
domain : list of tuples, optional
|
| 37 |
+
The bounds [x_l, x_u]^dim of the hyperrectangle space
|
| 38 |
+
ex. The default domain is the hyperrectangle [0, 1]^dim
|
| 39 |
+
Note: The domain must be convex, non-convex spaces can be cut
|
| 40 |
+
away from this domain using the non-linear
|
| 41 |
+
g_cons functions to define any arbitrary domain
|
| 42 |
+
(these domains may also be disconnected from each other)
|
| 43 |
+
sfield :
|
| 44 |
+
A scalar function defined in the associated domain f: R^dim --> R
|
| 45 |
+
sfield_args : tuple
|
| 46 |
+
Additional arguments to be passed to `sfield`
|
| 47 |
+
vfield :
|
| 48 |
+
A scalar function defined in the associated domain
|
| 49 |
+
f: R^dim --> R^m
|
| 50 |
+
(for example a gradient function of the scalar field)
|
| 51 |
+
vfield_args : tuple
|
| 52 |
+
Additional arguments to be passed to vfield
|
| 53 |
+
symmetry : None or list
|
| 54 |
+
Specify if the objective function contains symmetric variables.
|
| 55 |
+
The search space (and therefore performance) is decreased by up to
|
| 56 |
+
O(n!) times in the fully symmetric case.
|
| 57 |
+
|
| 58 |
+
E.g. f(x) = (x_1 + x_2 + x_3) + (x_4)**2 + (x_5)**2 + (x_6)**2
|
| 59 |
+
|
| 60 |
+
In this equation x_2 and x_3 are symmetric to x_1, while x_5 and
|
| 61 |
+
x_6 are symmetric to x_4, this can be specified to the solver as:
|
| 62 |
+
|
| 63 |
+
symmetry = [0, # Variable 1
|
| 64 |
+
0, # symmetric to variable 1
|
| 65 |
+
0, # symmetric to variable 1
|
| 66 |
+
3, # Variable 4
|
| 67 |
+
3, # symmetric to variable 4
|
| 68 |
+
3, # symmetric to variable 4
|
| 69 |
+
]
|
| 70 |
+
|
| 71 |
+
constraints : dict or sequence of dict, optional
|
| 72 |
+
Constraints definition.
|
| 73 |
+
Function(s) ``R**n`` in the form::
|
| 74 |
+
|
| 75 |
+
g(x) <= 0 applied as g : R^n -> R^m
|
| 76 |
+
h(x) == 0 applied as h : R^n -> R^p
|
| 77 |
+
|
| 78 |
+
Each constraint is defined in a dictionary with fields:
|
| 79 |
+
|
| 80 |
+
type : str
|
| 81 |
+
Constraint type: 'eq' for equality, 'ineq' for inequality.
|
| 82 |
+
fun : callable
|
| 83 |
+
The function defining the constraint.
|
| 84 |
+
jac : callable, optional
|
| 85 |
+
The Jacobian of `fun` (only for SLSQP).
|
| 86 |
+
args : sequence, optional
|
| 87 |
+
Extra arguments to be passed to the function and Jacobian.
|
| 88 |
+
|
| 89 |
+
Equality constraint means that the constraint function result is to
|
| 90 |
+
be zero whereas inequality means that it is to be
|
| 91 |
+
non-negative.constraints : dict or sequence of dict, optional
|
| 92 |
+
Constraints definition.
|
| 93 |
+
Function(s) ``R**n`` in the form::
|
| 94 |
+
|
| 95 |
+
g(x) <= 0 applied as g : R^n -> R^m
|
| 96 |
+
h(x) == 0 applied as h : R^n -> R^p
|
| 97 |
+
|
| 98 |
+
Each constraint is defined in a dictionary with fields:
|
| 99 |
+
|
| 100 |
+
type : str
|
| 101 |
+
Constraint type: 'eq' for equality, 'ineq' for inequality.
|
| 102 |
+
fun : callable
|
| 103 |
+
The function defining the constraint.
|
| 104 |
+
jac : callable, optional
|
| 105 |
+
The Jacobian of `fun` (unused).
|
| 106 |
+
args : sequence, optional
|
| 107 |
+
Extra arguments to be passed to the function and Jacobian.
|
| 108 |
+
|
| 109 |
+
Equality constraint means that the constraint function result is to
|
| 110 |
+
be zero whereas inequality means that it is to be non-negative.
|
| 111 |
+
|
| 112 |
+
workers : int optional
|
| 113 |
+
Uses `multiprocessing.Pool <multiprocessing>`) to compute the field
|
| 114 |
+
functions in parallel.
|
| 115 |
+
"""
|
| 116 |
+
def __init__(self, dim, domain=None, sfield=None, sfield_args=(),
|
| 117 |
+
symmetry=None, constraints=None, workers=1):
|
| 118 |
+
self.dim = dim
|
| 119 |
+
|
| 120 |
+
# Domains
|
| 121 |
+
self.domain = domain
|
| 122 |
+
if domain is None:
|
| 123 |
+
self.bounds = [(0.0, 1.0), ] * dim
|
| 124 |
+
else:
|
| 125 |
+
self.bounds = domain
|
| 126 |
+
self.symmetry = symmetry
|
| 127 |
+
# here in init to avoid if checks
|
| 128 |
+
|
| 129 |
+
# Field functions
|
| 130 |
+
self.sfield = sfield
|
| 131 |
+
self.sfield_args = sfield_args
|
| 132 |
+
|
| 133 |
+
# Process constraints
|
| 134 |
+
# Constraints
|
| 135 |
+
# Process constraint dict sequence:
|
| 136 |
+
if constraints is not None:
|
| 137 |
+
self.min_cons = constraints
|
| 138 |
+
self.g_cons = []
|
| 139 |
+
self.g_args = []
|
| 140 |
+
if not isinstance(constraints, (tuple, list)):
|
| 141 |
+
constraints = (constraints,)
|
| 142 |
+
|
| 143 |
+
for cons in constraints:
|
| 144 |
+
if cons['type'] in ('ineq'):
|
| 145 |
+
self.g_cons.append(cons['fun'])
|
| 146 |
+
try:
|
| 147 |
+
self.g_args.append(cons['args'])
|
| 148 |
+
except KeyError:
|
| 149 |
+
self.g_args.append(())
|
| 150 |
+
self.g_cons = tuple(self.g_cons)
|
| 151 |
+
self.g_args = tuple(self.g_args)
|
| 152 |
+
else:
|
| 153 |
+
self.g_cons = None
|
| 154 |
+
self.g_args = None
|
| 155 |
+
|
| 156 |
+
# Homology properties
|
| 157 |
+
self.gen = 0
|
| 158 |
+
self.perm_cycle = 0
|
| 159 |
+
|
| 160 |
+
# Every cell is stored in a list of its generation,
|
| 161 |
+
# ex. the initial cell is stored in self.H[0]
|
| 162 |
+
# 1st get new cells are stored in self.H[1] etc.
|
| 163 |
+
# When a cell is sub-generated it is removed from this list
|
| 164 |
+
|
| 165 |
+
self.H = [] # Storage structure of vertex groups
|
| 166 |
+
|
| 167 |
+
# Cache of all vertices
|
| 168 |
+
if (sfield is not None) or (self.g_cons is not None):
|
| 169 |
+
# Initiate a vertex cache and an associated field cache, note that
|
| 170 |
+
# the field case is always initiated inside the vertex cache if an
|
| 171 |
+
# associated field scalar field is defined:
|
| 172 |
+
if sfield is not None:
|
| 173 |
+
self.V = VertexCacheField(field=sfield, field_args=sfield_args,
|
| 174 |
+
g_cons=self.g_cons,
|
| 175 |
+
g_cons_args=self.g_args,
|
| 176 |
+
workers=workers)
|
| 177 |
+
elif self.g_cons is not None:
|
| 178 |
+
self.V = VertexCacheField(field=sfield, field_args=sfield_args,
|
| 179 |
+
g_cons=self.g_cons,
|
| 180 |
+
g_cons_args=self.g_args,
|
| 181 |
+
workers=workers)
|
| 182 |
+
else:
|
| 183 |
+
self.V = VertexCacheIndex()
|
| 184 |
+
|
| 185 |
+
self.V_non_symm = [] # List of non-symmetric vertices
|
| 186 |
+
|
| 187 |
+
def __call__(self):
|
| 188 |
+
return self.H
|
| 189 |
+
|
| 190 |
+
# %% Triangulation methods
|
| 191 |
+
def cyclic_product(self, bounds, origin, supremum, centroid=True):
|
| 192 |
+
"""Generate initial triangulation using cyclic product"""
|
| 193 |
+
# Define current hyperrectangle
|
| 194 |
+
vot = tuple(origin)
|
| 195 |
+
vut = tuple(supremum) # Hyperrectangle supremum
|
| 196 |
+
self.V[vot]
|
| 197 |
+
vo = self.V[vot]
|
| 198 |
+
yield vo.x
|
| 199 |
+
self.V[vut].connect(self.V[vot])
|
| 200 |
+
yield vut
|
| 201 |
+
# Cyclic group approach with second x_l --- x_u operation.
|
| 202 |
+
|
| 203 |
+
# These containers store the "lower" and "upper" vertices
|
| 204 |
+
# corresponding to the origin or supremum of every C2 group.
|
| 205 |
+
# It has the structure of `dim` times embedded lists each containing
|
| 206 |
+
# these vertices as the entire complex grows. Bounds[0] has to be done
|
| 207 |
+
# outside the loops before we have symmetric containers.
|
| 208 |
+
# NOTE: This means that bounds[0][1] must always exist
|
| 209 |
+
C0x = [[self.V[vot]]]
|
| 210 |
+
a_vo = copy.copy(list(origin))
|
| 211 |
+
a_vo[0] = vut[0] # Update aN Origin
|
| 212 |
+
a_vo = self.V[tuple(a_vo)]
|
| 213 |
+
# self.V[vot].connect(self.V[tuple(a_vo)])
|
| 214 |
+
self.V[vot].connect(a_vo)
|
| 215 |
+
yield a_vo.x
|
| 216 |
+
C1x = [[a_vo]]
|
| 217 |
+
# C1x = [[self.V[tuple(a_vo)]]]
|
| 218 |
+
ab_C = [] # Container for a + b operations
|
| 219 |
+
|
| 220 |
+
# Loop over remaining bounds
|
| 221 |
+
for i, x in enumerate(bounds[1:]):
|
| 222 |
+
# Update lower and upper containers
|
| 223 |
+
C0x.append([])
|
| 224 |
+
C1x.append([])
|
| 225 |
+
# try to access a second bound (if not, C1 is symmetric)
|
| 226 |
+
try:
|
| 227 |
+
# Early try so that we don't have to copy the cache before
|
| 228 |
+
# moving on to next C1/C2: Try to add the operation of a new
|
| 229 |
+
# C2 product by accessing the upper bound
|
| 230 |
+
x[1]
|
| 231 |
+
# Copy lists for iteration
|
| 232 |
+
cC0x = [x[:] for x in C0x[:i + 1]]
|
| 233 |
+
cC1x = [x[:] for x in C1x[:i + 1]]
|
| 234 |
+
for j, (VL, VU) in enumerate(zip(cC0x, cC1x)):
|
| 235 |
+
for k, (vl, vu) in enumerate(zip(VL, VU)):
|
| 236 |
+
# Build aN vertices for each lower-upper pair in N:
|
| 237 |
+
a_vl = list(vl.x)
|
| 238 |
+
a_vu = list(vu.x)
|
| 239 |
+
a_vl[i + 1] = vut[i + 1]
|
| 240 |
+
a_vu[i + 1] = vut[i + 1]
|
| 241 |
+
a_vl = self.V[tuple(a_vl)]
|
| 242 |
+
|
| 243 |
+
# Connect vertices in N to corresponding vertices
|
| 244 |
+
# in aN:
|
| 245 |
+
vl.connect(a_vl)
|
| 246 |
+
|
| 247 |
+
yield a_vl.x
|
| 248 |
+
|
| 249 |
+
a_vu = self.V[tuple(a_vu)]
|
| 250 |
+
# Connect vertices in N to corresponding vertices
|
| 251 |
+
# in aN:
|
| 252 |
+
vu.connect(a_vu)
|
| 253 |
+
|
| 254 |
+
# Connect new vertex pair in aN:
|
| 255 |
+
a_vl.connect(a_vu)
|
| 256 |
+
|
| 257 |
+
# Connect lower pair to upper (triangulation
|
| 258 |
+
# operation of a + b (two arbitrary operations):
|
| 259 |
+
vl.connect(a_vu)
|
| 260 |
+
ab_C.append((vl, a_vu))
|
| 261 |
+
|
| 262 |
+
# Update the containers
|
| 263 |
+
C0x[i + 1].append(vl)
|
| 264 |
+
C0x[i + 1].append(vu)
|
| 265 |
+
C1x[i + 1].append(a_vl)
|
| 266 |
+
C1x[i + 1].append(a_vu)
|
| 267 |
+
|
| 268 |
+
# Update old containers
|
| 269 |
+
C0x[j].append(a_vl)
|
| 270 |
+
C1x[j].append(a_vu)
|
| 271 |
+
|
| 272 |
+
# Yield new points
|
| 273 |
+
yield a_vu.x
|
| 274 |
+
|
| 275 |
+
# Try to connect aN lower source of previous a + b
|
| 276 |
+
# operation with a aN vertex
|
| 277 |
+
ab_Cc = copy.copy(ab_C)
|
| 278 |
+
|
| 279 |
+
for vp in ab_Cc:
|
| 280 |
+
b_v = list(vp[0].x)
|
| 281 |
+
ab_v = list(vp[1].x)
|
| 282 |
+
b_v[i + 1] = vut[i + 1]
|
| 283 |
+
ab_v[i + 1] = vut[i + 1]
|
| 284 |
+
b_v = self.V[tuple(b_v)] # b + vl
|
| 285 |
+
ab_v = self.V[tuple(ab_v)] # b + a_vl
|
| 286 |
+
# Note o---o is already connected
|
| 287 |
+
vp[0].connect(ab_v) # o-s
|
| 288 |
+
b_v.connect(ab_v) # s-s
|
| 289 |
+
|
| 290 |
+
# Add new list of cross pairs
|
| 291 |
+
ab_C.append((vp[0], ab_v))
|
| 292 |
+
ab_C.append((b_v, ab_v))
|
| 293 |
+
|
| 294 |
+
except IndexError:
|
| 295 |
+
cC0x = C0x[i]
|
| 296 |
+
cC1x = C1x[i]
|
| 297 |
+
VL, VU = cC0x, cC1x
|
| 298 |
+
for k, (vl, vu) in enumerate(zip(VL, VU)):
|
| 299 |
+
# Build aN vertices for each lower-upper pair in N:
|
| 300 |
+
a_vu = list(vu.x)
|
| 301 |
+
a_vu[i + 1] = vut[i + 1]
|
| 302 |
+
# Connect vertices in N to corresponding vertices
|
| 303 |
+
# in aN:
|
| 304 |
+
a_vu = self.V[tuple(a_vu)]
|
| 305 |
+
# Connect vertices in N to corresponding vertices
|
| 306 |
+
# in aN:
|
| 307 |
+
vu.connect(a_vu)
|
| 308 |
+
# Connect new vertex pair in aN:
|
| 309 |
+
# a_vl.connect(a_vu)
|
| 310 |
+
# Connect lower pair to upper (triangulation
|
| 311 |
+
# operation of a + b (two arbitrary operations):
|
| 312 |
+
vl.connect(a_vu)
|
| 313 |
+
ab_C.append((vl, a_vu))
|
| 314 |
+
C0x[i + 1].append(vu)
|
| 315 |
+
C1x[i + 1].append(a_vu)
|
| 316 |
+
# Yield new points
|
| 317 |
+
a_vu.connect(self.V[vut])
|
| 318 |
+
yield a_vu.x
|
| 319 |
+
ab_Cc = copy.copy(ab_C)
|
| 320 |
+
for vp in ab_Cc:
|
| 321 |
+
if vp[1].x[i] == vut[i]:
|
| 322 |
+
ab_v = list(vp[1].x)
|
| 323 |
+
ab_v[i + 1] = vut[i + 1]
|
| 324 |
+
ab_v = self.V[tuple(ab_v)] # b + a_vl
|
| 325 |
+
# Note o---o is already connected
|
| 326 |
+
vp[0].connect(ab_v) # o-s
|
| 327 |
+
|
| 328 |
+
# Add new list of cross pairs
|
| 329 |
+
ab_C.append((vp[0], ab_v))
|
| 330 |
+
|
| 331 |
+
# Clean class trash
|
| 332 |
+
try:
|
| 333 |
+
del C0x
|
| 334 |
+
del cC0x
|
| 335 |
+
del C1x
|
| 336 |
+
del cC1x
|
| 337 |
+
del ab_C
|
| 338 |
+
del ab_Cc
|
| 339 |
+
except UnboundLocalError:
|
| 340 |
+
pass
|
| 341 |
+
|
| 342 |
+
# Extra yield to ensure that the triangulation is completed
|
| 343 |
+
if centroid:
|
| 344 |
+
vo = self.V[vot]
|
| 345 |
+
vs = self.V[vut]
|
| 346 |
+
# Disconnect the origin and supremum
|
| 347 |
+
vo.disconnect(vs)
|
| 348 |
+
# Build centroid
|
| 349 |
+
vc = self.split_edge(vot, vut)
|
| 350 |
+
for v in vo.nn:
|
| 351 |
+
v.connect(vc)
|
| 352 |
+
yield vc.x
|
| 353 |
+
return vc.x
|
| 354 |
+
else:
|
| 355 |
+
yield vut
|
| 356 |
+
return vut
|
| 357 |
+
|
| 358 |
+
def triangulate(self, n=None, symmetry=None, centroid=True,
|
| 359 |
+
printout=False):
|
| 360 |
+
"""
|
| 361 |
+
Triangulate the initial domain, if n is not None then a limited number
|
| 362 |
+
of points will be generated
|
| 363 |
+
|
| 364 |
+
Parameters
|
| 365 |
+
----------
|
| 366 |
+
n : int, Number of points to be sampled.
|
| 367 |
+
symmetry :
|
| 368 |
+
|
| 369 |
+
Ex. Dictionary/hashtable
|
| 370 |
+
f(x) = (x_1 + x_2 + x_3) + (x_4)**2 + (x_5)**2 + (x_6)**2
|
| 371 |
+
|
| 372 |
+
symmetry = symmetry[0]: 0, # Variable 1
|
| 373 |
+
symmetry[1]: 0, # symmetric to variable 1
|
| 374 |
+
symmetry[2]: 0, # symmetric to variable 1
|
| 375 |
+
symmetry[3]: 3, # Variable 4
|
| 376 |
+
symmetry[4]: 3, # symmetric to variable 4
|
| 377 |
+
symmetry[5]: 3, # symmetric to variable 4
|
| 378 |
+
}
|
| 379 |
+
centroid : bool, if True add a central point to the hypercube
|
| 380 |
+
printout : bool, if True print out results
|
| 381 |
+
|
| 382 |
+
NOTES:
|
| 383 |
+
------
|
| 384 |
+
Rather than using the combinatorial algorithm to connect vertices we
|
| 385 |
+
make the following observation:
|
| 386 |
+
|
| 387 |
+
The bound pairs are similar a C2 cyclic group and the structure is
|
| 388 |
+
formed using the cartesian product:
|
| 389 |
+
|
| 390 |
+
H = C2 x C2 x C2 ... x C2 (dim times)
|
| 391 |
+
|
| 392 |
+
So construct any normal subgroup N and consider H/N first, we connect
|
| 393 |
+
all vertices within N (ex. N is C2 (the first dimension), then we move
|
| 394 |
+
to a left coset aN (an operation moving around the defined H/N group by
|
| 395 |
+
for example moving from the lower bound in C2 (dimension 2) to the
|
| 396 |
+
higher bound in C2. During this operation connection all the vertices.
|
| 397 |
+
Now repeat the N connections. Note that these elements can be connected
|
| 398 |
+
in parallel.
|
| 399 |
+
"""
|
| 400 |
+
# Inherit class arguments
|
| 401 |
+
if symmetry is None:
|
| 402 |
+
symmetry = self.symmetry
|
| 403 |
+
# Build origin and supremum vectors
|
| 404 |
+
origin = [i[0] for i in self.bounds]
|
| 405 |
+
self.origin = origin
|
| 406 |
+
supremum = [i[1] for i in self.bounds]
|
| 407 |
+
|
| 408 |
+
self.supremum = supremum
|
| 409 |
+
|
| 410 |
+
if symmetry is None:
|
| 411 |
+
cbounds = self.bounds
|
| 412 |
+
else:
|
| 413 |
+
cbounds = copy.copy(self.bounds)
|
| 414 |
+
for i, j in enumerate(symmetry):
|
| 415 |
+
if i is not j:
|
| 416 |
+
# pop second entry on second symmetry vars
|
| 417 |
+
cbounds[i] = [self.bounds[symmetry[i]][0]]
|
| 418 |
+
# Sole (first) entry is the sup value and there is no
|
| 419 |
+
# origin:
|
| 420 |
+
cbounds[i] = [self.bounds[symmetry[i]][1]]
|
| 421 |
+
if (self.bounds[symmetry[i]] is not
|
| 422 |
+
self.bounds[symmetry[j]]):
|
| 423 |
+
logging.warning(f"Variable {i} was specified as "
|
| 424 |
+
f"symmetetric to variable {j}, however"
|
| 425 |
+
f", the bounds {i} ="
|
| 426 |
+
f" {self.bounds[symmetry[i]]} and {j}"
|
| 427 |
+
f" ="
|
| 428 |
+
f" {self.bounds[symmetry[j]]} do not "
|
| 429 |
+
f"match, the mismatch was ignored in "
|
| 430 |
+
f"the initial triangulation.")
|
| 431 |
+
cbounds[i] = self.bounds[symmetry[j]]
|
| 432 |
+
|
| 433 |
+
if n is None:
|
| 434 |
+
# Build generator
|
| 435 |
+
self.cp = self.cyclic_product(cbounds, origin, supremum, centroid)
|
| 436 |
+
for i in self.cp:
|
| 437 |
+
i
|
| 438 |
+
|
| 439 |
+
try:
|
| 440 |
+
self.triangulated_vectors.append((tuple(self.origin),
|
| 441 |
+
tuple(self.supremum)))
|
| 442 |
+
except (AttributeError, KeyError):
|
| 443 |
+
self.triangulated_vectors = [(tuple(self.origin),
|
| 444 |
+
tuple(self.supremum))]
|
| 445 |
+
|
| 446 |
+
else:
|
| 447 |
+
# Check if generator already exists
|
| 448 |
+
try:
|
| 449 |
+
self.cp
|
| 450 |
+
except (AttributeError, KeyError):
|
| 451 |
+
self.cp = self.cyclic_product(cbounds, origin, supremum,
|
| 452 |
+
centroid)
|
| 453 |
+
|
| 454 |
+
try:
|
| 455 |
+
while len(self.V.cache) < n:
|
| 456 |
+
next(self.cp)
|
| 457 |
+
except StopIteration:
|
| 458 |
+
try:
|
| 459 |
+
self.triangulated_vectors.append((tuple(self.origin),
|
| 460 |
+
tuple(self.supremum)))
|
| 461 |
+
except (AttributeError, KeyError):
|
| 462 |
+
self.triangulated_vectors = [(tuple(self.origin),
|
| 463 |
+
tuple(self.supremum))]
|
| 464 |
+
|
| 465 |
+
if printout:
|
| 466 |
+
# for v in self.C0():
|
| 467 |
+
# v.print_out()
|
| 468 |
+
for v in self.V.cache:
|
| 469 |
+
self.V[v].print_out()
|
| 470 |
+
|
| 471 |
+
return
|
| 472 |
+
|
| 473 |
+
def refine(self, n=1):
|
| 474 |
+
if n is None:
|
| 475 |
+
try:
|
| 476 |
+
self.triangulated_vectors
|
| 477 |
+
self.refine_all()
|
| 478 |
+
return
|
| 479 |
+
except AttributeError as ae:
|
| 480 |
+
if str(ae) == "'Complex' object has no attribute " \
|
| 481 |
+
"'triangulated_vectors'":
|
| 482 |
+
self.triangulate(symmetry=self.symmetry)
|
| 483 |
+
return
|
| 484 |
+
else:
|
| 485 |
+
raise
|
| 486 |
+
|
| 487 |
+
nt = len(self.V.cache) + n # Target number of total vertices
|
| 488 |
+
# In the outer while loop we iterate until we have added an extra `n`
|
| 489 |
+
# vertices to the complex:
|
| 490 |
+
while len(self.V.cache) < nt: # while loop 1
|
| 491 |
+
try: # try 1
|
| 492 |
+
# Try to access triangulated_vectors, this should only be
|
| 493 |
+
# defined if an initial triangulation has already been
|
| 494 |
+
# performed:
|
| 495 |
+
self.triangulated_vectors
|
| 496 |
+
# Try a usual iteration of the current generator, if it
|
| 497 |
+
# does not exist or is exhausted then produce a new generator
|
| 498 |
+
try: # try 2
|
| 499 |
+
next(self.rls)
|
| 500 |
+
except (AttributeError, StopIteration, KeyError):
|
| 501 |
+
vp = self.triangulated_vectors[0]
|
| 502 |
+
self.rls = self.refine_local_space(*vp, bounds=self.bounds)
|
| 503 |
+
next(self.rls)
|
| 504 |
+
|
| 505 |
+
except (AttributeError, KeyError):
|
| 506 |
+
# If an initial triangulation has not been completed, then
|
| 507 |
+
# we start/continue the initial triangulation targeting `nt`
|
| 508 |
+
# vertices, if nt is greater than the initial number of
|
| 509 |
+
# vertices then the `refine` routine will move back to try 1.
|
| 510 |
+
self.triangulate(nt, self.symmetry)
|
| 511 |
+
return
|
| 512 |
+
|
| 513 |
+
def refine_all(self, centroids=True):
|
| 514 |
+
"""Refine the entire domain of the current complex."""
|
| 515 |
+
try:
|
| 516 |
+
self.triangulated_vectors
|
| 517 |
+
tvs = copy.copy(self.triangulated_vectors)
|
| 518 |
+
for i, vp in enumerate(tvs):
|
| 519 |
+
self.rls = self.refine_local_space(*vp, bounds=self.bounds)
|
| 520 |
+
for i in self.rls:
|
| 521 |
+
i
|
| 522 |
+
except AttributeError as ae:
|
| 523 |
+
if str(ae) == "'Complex' object has no attribute " \
|
| 524 |
+
"'triangulated_vectors'":
|
| 525 |
+
self.triangulate(symmetry=self.symmetry, centroid=centroids)
|
| 526 |
+
else:
|
| 527 |
+
raise
|
| 528 |
+
|
| 529 |
+
# This adds a centroid to every new sub-domain generated and defined
|
| 530 |
+
# by self.triangulated_vectors, in addition the vertices ! to complete
|
| 531 |
+
# the triangulation
|
| 532 |
+
return
|
| 533 |
+
|
| 534 |
+
def refine_local_space(self, origin, supremum, bounds, centroid=1):
|
| 535 |
+
# Copy for later removal
|
| 536 |
+
origin_c = copy.copy(origin)
|
| 537 |
+
supremum_c = copy.copy(supremum)
|
| 538 |
+
|
| 539 |
+
# Initiate local variables redefined in later inner `for` loop:
|
| 540 |
+
vl, vu, a_vu = None, None, None
|
| 541 |
+
|
| 542 |
+
# Change the vector orientation so that it is only increasing
|
| 543 |
+
s_ov = list(origin)
|
| 544 |
+
s_origin = list(origin)
|
| 545 |
+
s_sv = list(supremum)
|
| 546 |
+
s_supremum = list(supremum)
|
| 547 |
+
for i, vi in enumerate(s_origin):
|
| 548 |
+
if s_ov[i] > s_sv[i]:
|
| 549 |
+
s_origin[i] = s_sv[i]
|
| 550 |
+
s_supremum[i] = s_ov[i]
|
| 551 |
+
|
| 552 |
+
vot = tuple(s_origin)
|
| 553 |
+
vut = tuple(s_supremum) # Hyperrectangle supremum
|
| 554 |
+
|
| 555 |
+
vo = self.V[vot] # initiate if doesn't exist yet
|
| 556 |
+
vs = self.V[vut]
|
| 557 |
+
# Start by finding the old centroid of the new space:
|
| 558 |
+
vco = self.split_edge(vo.x, vs.x) # Split in case not centroid arg
|
| 559 |
+
|
| 560 |
+
# Find set of extreme vertices in current local space
|
| 561 |
+
sup_set = copy.copy(vco.nn)
|
| 562 |
+
# Cyclic group approach with second x_l --- x_u operation.
|
| 563 |
+
|
| 564 |
+
# These containers store the "lower" and "upper" vertices
|
| 565 |
+
# corresponding to the origin or supremum of every C2 group.
|
| 566 |
+
# It has the structure of `dim` times embedded lists each containing
|
| 567 |
+
# these vertices as the entire complex grows. Bounds[0] has to be done
|
| 568 |
+
# outside the loops before we have symmetric containers.
|
| 569 |
+
# NOTE: This means that bounds[0][1] must always exist
|
| 570 |
+
|
| 571 |
+
a_vl = copy.copy(list(vot))
|
| 572 |
+
a_vl[0] = vut[0] # Update aN Origin
|
| 573 |
+
if tuple(a_vl) not in self.V.cache:
|
| 574 |
+
vo = self.V[vot] # initiate if doesn't exist yet
|
| 575 |
+
vs = self.V[vut]
|
| 576 |
+
# Start by finding the old centroid of the new space:
|
| 577 |
+
vco = self.split_edge(vo.x, vs.x) # Split in case not centroid arg
|
| 578 |
+
|
| 579 |
+
# Find set of extreme vertices in current local space
|
| 580 |
+
sup_set = copy.copy(vco.nn)
|
| 581 |
+
a_vl = copy.copy(list(vot))
|
| 582 |
+
a_vl[0] = vut[0] # Update aN Origin
|
| 583 |
+
a_vl = self.V[tuple(a_vl)]
|
| 584 |
+
else:
|
| 585 |
+
a_vl = self.V[tuple(a_vl)]
|
| 586 |
+
|
| 587 |
+
c_v = self.split_edge(vo.x, a_vl.x)
|
| 588 |
+
c_v.connect(vco)
|
| 589 |
+
yield c_v.x
|
| 590 |
+
Cox = [[vo]]
|
| 591 |
+
Ccx = [[c_v]]
|
| 592 |
+
Cux = [[a_vl]]
|
| 593 |
+
ab_C = [] # Container for a + b operations
|
| 594 |
+
s_ab_C = [] # Container for symmetric a + b operations
|
| 595 |
+
|
| 596 |
+
# Loop over remaining bounds
|
| 597 |
+
for i, x in enumerate(bounds[1:]):
|
| 598 |
+
# Update lower and upper containers
|
| 599 |
+
Cox.append([])
|
| 600 |
+
Ccx.append([])
|
| 601 |
+
Cux.append([])
|
| 602 |
+
# try to access a second bound (if not, C1 is symmetric)
|
| 603 |
+
try:
|
| 604 |
+
t_a_vl = list(vot)
|
| 605 |
+
t_a_vl[i + 1] = vut[i + 1]
|
| 606 |
+
|
| 607 |
+
# New: lists are used anyway, so copy all
|
| 608 |
+
# %%
|
| 609 |
+
# Copy lists for iteration
|
| 610 |
+
cCox = [x[:] for x in Cox[:i + 1]]
|
| 611 |
+
cCcx = [x[:] for x in Ccx[:i + 1]]
|
| 612 |
+
cCux = [x[:] for x in Cux[:i + 1]]
|
| 613 |
+
# Try to connect aN lower source of previous a + b
|
| 614 |
+
# operation with a aN vertex
|
| 615 |
+
ab_Cc = copy.copy(ab_C) # NOTE: We append ab_C in the
|
| 616 |
+
# (VL, VC, VU) for-loop, but we use the copy of the list in the
|
| 617 |
+
# ab_Cc for-loop.
|
| 618 |
+
s_ab_Cc = copy.copy(s_ab_C)
|
| 619 |
+
|
| 620 |
+
# Early try so that we don't have to copy the cache before
|
| 621 |
+
# moving on to next C1/C2: Try to add the operation of a new
|
| 622 |
+
# C2 product by accessing the upper bound
|
| 623 |
+
if tuple(t_a_vl) not in self.V.cache:
|
| 624 |
+
# Raise error to continue symmetric refine
|
| 625 |
+
raise IndexError
|
| 626 |
+
t_a_vu = list(vut)
|
| 627 |
+
t_a_vu[i + 1] = vut[i + 1]
|
| 628 |
+
if tuple(t_a_vu) not in self.V.cache:
|
| 629 |
+
# Raise error to continue symmetric refine:
|
| 630 |
+
raise IndexError
|
| 631 |
+
|
| 632 |
+
for vectors in s_ab_Cc:
|
| 633 |
+
# s_ab_C.append([c_vc, vl, vu, a_vu])
|
| 634 |
+
bc_vc = list(vectors[0].x)
|
| 635 |
+
b_vl = list(vectors[1].x)
|
| 636 |
+
b_vu = list(vectors[2].x)
|
| 637 |
+
ba_vu = list(vectors[3].x)
|
| 638 |
+
|
| 639 |
+
bc_vc[i + 1] = vut[i + 1]
|
| 640 |
+
b_vl[i + 1] = vut[i + 1]
|
| 641 |
+
b_vu[i + 1] = vut[i + 1]
|
| 642 |
+
ba_vu[i + 1] = vut[i + 1]
|
| 643 |
+
|
| 644 |
+
bc_vc = self.V[tuple(bc_vc)]
|
| 645 |
+
bc_vc.connect(vco) # NOTE: Unneeded?
|
| 646 |
+
yield bc_vc
|
| 647 |
+
|
| 648 |
+
# Split to centre, call this centre group "d = 0.5*a"
|
| 649 |
+
d_bc_vc = self.split_edge(vectors[0].x, bc_vc.x)
|
| 650 |
+
d_bc_vc.connect(bc_vc)
|
| 651 |
+
d_bc_vc.connect(vectors[1]) # Connect all to centroid
|
| 652 |
+
d_bc_vc.connect(vectors[2]) # Connect all to centroid
|
| 653 |
+
d_bc_vc.connect(vectors[3]) # Connect all to centroid
|
| 654 |
+
yield d_bc_vc.x
|
| 655 |
+
b_vl = self.V[tuple(b_vl)]
|
| 656 |
+
bc_vc.connect(b_vl) # Connect aN cross pairs
|
| 657 |
+
d_bc_vc.connect(b_vl) # Connect all to centroid
|
| 658 |
+
|
| 659 |
+
yield b_vl
|
| 660 |
+
b_vu = self.V[tuple(b_vu)]
|
| 661 |
+
bc_vc.connect(b_vu) # Connect aN cross pairs
|
| 662 |
+
d_bc_vc.connect(b_vu) # Connect all to centroid
|
| 663 |
+
|
| 664 |
+
b_vl_c = self.split_edge(b_vu.x, b_vl.x)
|
| 665 |
+
bc_vc.connect(b_vl_c)
|
| 666 |
+
|
| 667 |
+
yield b_vu
|
| 668 |
+
ba_vu = self.V[tuple(ba_vu)]
|
| 669 |
+
bc_vc.connect(ba_vu) # Connect aN cross pairs
|
| 670 |
+
d_bc_vc.connect(ba_vu) # Connect all to centroid
|
| 671 |
+
|
| 672 |
+
# Split the a + b edge of the initial triangulation:
|
| 673 |
+
os_v = self.split_edge(vectors[1].x, ba_vu.x) # o-s
|
| 674 |
+
ss_v = self.split_edge(b_vl.x, ba_vu.x) # s-s
|
| 675 |
+
b_vu_c = self.split_edge(b_vu.x, ba_vu.x)
|
| 676 |
+
bc_vc.connect(b_vu_c)
|
| 677 |
+
yield os_v.x # often equal to vco, but not always
|
| 678 |
+
yield ss_v.x # often equal to bc_vu, but not always
|
| 679 |
+
yield ba_vu
|
| 680 |
+
# Split remaining to centre, call this centre group
|
| 681 |
+
# "d = 0.5*a"
|
| 682 |
+
d_bc_vc = self.split_edge(vectors[0].x, bc_vc.x)
|
| 683 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 684 |
+
yield d_bc_vc.x
|
| 685 |
+
d_b_vl = self.split_edge(vectors[1].x, b_vl.x)
|
| 686 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 687 |
+
d_bc_vc.connect(d_b_vl) # Connect dN cross pairs
|
| 688 |
+
yield d_b_vl.x
|
| 689 |
+
d_b_vu = self.split_edge(vectors[2].x, b_vu.x)
|
| 690 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 691 |
+
d_bc_vc.connect(d_b_vu) # Connect dN cross pairs
|
| 692 |
+
yield d_b_vu.x
|
| 693 |
+
d_ba_vu = self.split_edge(vectors[3].x, ba_vu.x)
|
| 694 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 695 |
+
d_bc_vc.connect(d_ba_vu) # Connect dN cross pairs
|
| 696 |
+
yield d_ba_vu
|
| 697 |
+
|
| 698 |
+
# comb = [c_vc, vl, vu, a_vl, a_vu,
|
| 699 |
+
# bc_vc, b_vl, b_vu, ba_vl, ba_vu]
|
| 700 |
+
comb = [vl, vu, a_vu,
|
| 701 |
+
b_vl, b_vu, ba_vu]
|
| 702 |
+
comb_iter = itertools.combinations(comb, 2)
|
| 703 |
+
for vecs in comb_iter:
|
| 704 |
+
self.split_edge(vecs[0].x, vecs[1].x)
|
| 705 |
+
# Add new list of cross pairs
|
| 706 |
+
ab_C.append((d_bc_vc, vectors[1], b_vl, a_vu, ba_vu))
|
| 707 |
+
ab_C.append((d_bc_vc, vl, b_vl, a_vu, ba_vu)) # = prev
|
| 708 |
+
|
| 709 |
+
for vectors in ab_Cc:
|
| 710 |
+
bc_vc = list(vectors[0].x)
|
| 711 |
+
b_vl = list(vectors[1].x)
|
| 712 |
+
b_vu = list(vectors[2].x)
|
| 713 |
+
ba_vl = list(vectors[3].x)
|
| 714 |
+
ba_vu = list(vectors[4].x)
|
| 715 |
+
bc_vc[i + 1] = vut[i + 1]
|
| 716 |
+
b_vl[i + 1] = vut[i + 1]
|
| 717 |
+
b_vu[i + 1] = vut[i + 1]
|
| 718 |
+
ba_vl[i + 1] = vut[i + 1]
|
| 719 |
+
ba_vu[i + 1] = vut[i + 1]
|
| 720 |
+
bc_vc = self.V[tuple(bc_vc)]
|
| 721 |
+
bc_vc.connect(vco) # NOTE: Unneeded?
|
| 722 |
+
yield bc_vc
|
| 723 |
+
|
| 724 |
+
# Split to centre, call this centre group "d = 0.5*a"
|
| 725 |
+
d_bc_vc = self.split_edge(vectors[0].x, bc_vc.x)
|
| 726 |
+
d_bc_vc.connect(bc_vc)
|
| 727 |
+
d_bc_vc.connect(vectors[1]) # Connect all to centroid
|
| 728 |
+
d_bc_vc.connect(vectors[2]) # Connect all to centroid
|
| 729 |
+
d_bc_vc.connect(vectors[3]) # Connect all to centroid
|
| 730 |
+
d_bc_vc.connect(vectors[4]) # Connect all to centroid
|
| 731 |
+
yield d_bc_vc.x
|
| 732 |
+
b_vl = self.V[tuple(b_vl)]
|
| 733 |
+
bc_vc.connect(b_vl) # Connect aN cross pairs
|
| 734 |
+
d_bc_vc.connect(b_vl) # Connect all to centroid
|
| 735 |
+
yield b_vl
|
| 736 |
+
b_vu = self.V[tuple(b_vu)]
|
| 737 |
+
bc_vc.connect(b_vu) # Connect aN cross pairs
|
| 738 |
+
d_bc_vc.connect(b_vu) # Connect all to centroid
|
| 739 |
+
yield b_vu
|
| 740 |
+
ba_vl = self.V[tuple(ba_vl)]
|
| 741 |
+
bc_vc.connect(ba_vl) # Connect aN cross pairs
|
| 742 |
+
d_bc_vc.connect(ba_vl) # Connect all to centroid
|
| 743 |
+
self.split_edge(b_vu.x, ba_vl.x)
|
| 744 |
+
yield ba_vl
|
| 745 |
+
ba_vu = self.V[tuple(ba_vu)]
|
| 746 |
+
bc_vc.connect(ba_vu) # Connect aN cross pairs
|
| 747 |
+
d_bc_vc.connect(ba_vu) # Connect all to centroid
|
| 748 |
+
# Split the a + b edge of the initial triangulation:
|
| 749 |
+
os_v = self.split_edge(vectors[1].x, ba_vu.x) # o-s
|
| 750 |
+
ss_v = self.split_edge(b_vl.x, ba_vu.x) # s-s
|
| 751 |
+
yield os_v.x # often equal to vco, but not always
|
| 752 |
+
yield ss_v.x # often equal to bc_vu, but not always
|
| 753 |
+
yield ba_vu
|
| 754 |
+
# Split remaining to centre, call this centre group
|
| 755 |
+
# "d = 0.5*a"
|
| 756 |
+
d_bc_vc = self.split_edge(vectors[0].x, bc_vc.x)
|
| 757 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 758 |
+
yield d_bc_vc.x
|
| 759 |
+
d_b_vl = self.split_edge(vectors[1].x, b_vl.x)
|
| 760 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 761 |
+
d_bc_vc.connect(d_b_vl) # Connect dN cross pairs
|
| 762 |
+
yield d_b_vl.x
|
| 763 |
+
d_b_vu = self.split_edge(vectors[2].x, b_vu.x)
|
| 764 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 765 |
+
d_bc_vc.connect(d_b_vu) # Connect dN cross pairs
|
| 766 |
+
yield d_b_vu.x
|
| 767 |
+
d_ba_vl = self.split_edge(vectors[3].x, ba_vl.x)
|
| 768 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 769 |
+
d_bc_vc.connect(d_ba_vl) # Connect dN cross pairs
|
| 770 |
+
yield d_ba_vl
|
| 771 |
+
d_ba_vu = self.split_edge(vectors[4].x, ba_vu.x)
|
| 772 |
+
d_bc_vc.connect(vco) # NOTE: Unneeded?
|
| 773 |
+
d_bc_vc.connect(d_ba_vu) # Connect dN cross pairs
|
| 774 |
+
yield d_ba_vu
|
| 775 |
+
c_vc, vl, vu, a_vl, a_vu = vectors
|
| 776 |
+
|
| 777 |
+
comb = [vl, vu, a_vl, a_vu,
|
| 778 |
+
b_vl, b_vu, ba_vl, ba_vu]
|
| 779 |
+
comb_iter = itertools.combinations(comb, 2)
|
| 780 |
+
for vecs in comb_iter:
|
| 781 |
+
self.split_edge(vecs[0].x, vecs[1].x)
|
| 782 |
+
|
| 783 |
+
# Add new list of cross pairs
|
| 784 |
+
ab_C.append((bc_vc, b_vl, b_vu, ba_vl, ba_vu))
|
| 785 |
+
ab_C.append((d_bc_vc, d_b_vl, d_b_vu, d_ba_vl, d_ba_vu))
|
| 786 |
+
ab_C.append((d_bc_vc, vectors[1], b_vl, a_vu, ba_vu))
|
| 787 |
+
ab_C.append((d_bc_vc, vu, b_vu, a_vl, ba_vl))
|
| 788 |
+
|
| 789 |
+
for j, (VL, VC, VU) in enumerate(zip(cCox, cCcx, cCux)):
|
| 790 |
+
for k, (vl, vc, vu) in enumerate(zip(VL, VC, VU)):
|
| 791 |
+
# Build aN vertices for each lower-upper C3 group in N:
|
| 792 |
+
a_vl = list(vl.x)
|
| 793 |
+
a_vu = list(vu.x)
|
| 794 |
+
a_vl[i + 1] = vut[i + 1]
|
| 795 |
+
a_vu[i + 1] = vut[i + 1]
|
| 796 |
+
a_vl = self.V[tuple(a_vl)]
|
| 797 |
+
a_vu = self.V[tuple(a_vu)]
|
| 798 |
+
# Note, build (a + vc) later for consistent yields
|
| 799 |
+
# Split the a + b edge of the initial triangulation:
|
| 800 |
+
c_vc = self.split_edge(vl.x, a_vu.x)
|
| 801 |
+
self.split_edge(vl.x, vu.x) # Equal to vc
|
| 802 |
+
# Build cN vertices for each lower-upper C3 group in N:
|
| 803 |
+
c_vc.connect(vco)
|
| 804 |
+
c_vc.connect(vc)
|
| 805 |
+
c_vc.connect(vl) # Connect c + ac operations
|
| 806 |
+
c_vc.connect(vu) # Connect c + ac operations
|
| 807 |
+
c_vc.connect(a_vl) # Connect c + ac operations
|
| 808 |
+
c_vc.connect(a_vu) # Connect c + ac operations
|
| 809 |
+
yield c_vc.x
|
| 810 |
+
c_vl = self.split_edge(vl.x, a_vl.x)
|
| 811 |
+
c_vl.connect(vco)
|
| 812 |
+
c_vc.connect(c_vl) # Connect cN group vertices
|
| 813 |
+
yield c_vl.x
|
| 814 |
+
# yield at end of loop:
|
| 815 |
+
c_vu = self.split_edge(vu.x, a_vu.x)
|
| 816 |
+
c_vu.connect(vco)
|
| 817 |
+
# Connect remaining cN group vertices
|
| 818 |
+
c_vc.connect(c_vu) # Connect cN group vertices
|
| 819 |
+
yield c_vu.x
|
| 820 |
+
|
| 821 |
+
a_vc = self.split_edge(a_vl.x, a_vu.x) # is (a + vc) ?
|
| 822 |
+
a_vc.connect(vco)
|
| 823 |
+
a_vc.connect(c_vc)
|
| 824 |
+
|
| 825 |
+
# Storage for connecting c + ac operations:
|
| 826 |
+
ab_C.append((c_vc, vl, vu, a_vl, a_vu))
|
| 827 |
+
|
| 828 |
+
# Update the containers
|
| 829 |
+
Cox[i + 1].append(vl)
|
| 830 |
+
Cox[i + 1].append(vc)
|
| 831 |
+
Cox[i + 1].append(vu)
|
| 832 |
+
Ccx[i + 1].append(c_vl)
|
| 833 |
+
Ccx[i + 1].append(c_vc)
|
| 834 |
+
Ccx[i + 1].append(c_vu)
|
| 835 |
+
Cux[i + 1].append(a_vl)
|
| 836 |
+
Cux[i + 1].append(a_vc)
|
| 837 |
+
Cux[i + 1].append(a_vu)
|
| 838 |
+
|
| 839 |
+
# Update old containers
|
| 840 |
+
Cox[j].append(c_vl) # !
|
| 841 |
+
Cox[j].append(a_vl)
|
| 842 |
+
Ccx[j].append(c_vc) # !
|
| 843 |
+
Ccx[j].append(a_vc) # !
|
| 844 |
+
Cux[j].append(c_vu) # !
|
| 845 |
+
Cux[j].append(a_vu)
|
| 846 |
+
|
| 847 |
+
# Yield new points
|
| 848 |
+
yield a_vc.x
|
| 849 |
+
|
| 850 |
+
except IndexError:
|
| 851 |
+
for vectors in ab_Cc:
|
| 852 |
+
ba_vl = list(vectors[3].x)
|
| 853 |
+
ba_vu = list(vectors[4].x)
|
| 854 |
+
ba_vl[i + 1] = vut[i + 1]
|
| 855 |
+
ba_vu[i + 1] = vut[i + 1]
|
| 856 |
+
ba_vu = self.V[tuple(ba_vu)]
|
| 857 |
+
yield ba_vu
|
| 858 |
+
d_bc_vc = self.split_edge(vectors[1].x, ba_vu.x) # o-s
|
| 859 |
+
yield ba_vu
|
| 860 |
+
d_bc_vc.connect(vectors[1]) # Connect all to centroid
|
| 861 |
+
d_bc_vc.connect(vectors[2]) # Connect all to centroid
|
| 862 |
+
d_bc_vc.connect(vectors[3]) # Connect all to centroid
|
| 863 |
+
d_bc_vc.connect(vectors[4]) # Connect all to centroid
|
| 864 |
+
yield d_bc_vc.x
|
| 865 |
+
ba_vl = self.V[tuple(ba_vl)]
|
| 866 |
+
yield ba_vl
|
| 867 |
+
d_ba_vl = self.split_edge(vectors[3].x, ba_vl.x)
|
| 868 |
+
d_ba_vu = self.split_edge(vectors[4].x, ba_vu.x)
|
| 869 |
+
d_ba_vc = self.split_edge(d_ba_vl.x, d_ba_vu.x)
|
| 870 |
+
yield d_ba_vl
|
| 871 |
+
yield d_ba_vu
|
| 872 |
+
yield d_ba_vc
|
| 873 |
+
c_vc, vl, vu, a_vl, a_vu = vectors
|
| 874 |
+
comb = [vl, vu, a_vl, a_vu,
|
| 875 |
+
ba_vl,
|
| 876 |
+
ba_vu]
|
| 877 |
+
comb_iter = itertools.combinations(comb, 2)
|
| 878 |
+
for vecs in comb_iter:
|
| 879 |
+
self.split_edge(vecs[0].x, vecs[1].x)
|
| 880 |
+
|
| 881 |
+
# Copy lists for iteration
|
| 882 |
+
cCox = Cox[i]
|
| 883 |
+
cCcx = Ccx[i]
|
| 884 |
+
cCux = Cux[i]
|
| 885 |
+
VL, VC, VU = cCox, cCcx, cCux
|
| 886 |
+
for k, (vl, vc, vu) in enumerate(zip(VL, VC, VU)):
|
| 887 |
+
# Build aN vertices for each lower-upper pair in N:
|
| 888 |
+
a_vu = list(vu.x)
|
| 889 |
+
a_vu[i + 1] = vut[i + 1]
|
| 890 |
+
|
| 891 |
+
# Connect vertices in N to corresponding vertices
|
| 892 |
+
# in aN:
|
| 893 |
+
a_vu = self.V[tuple(a_vu)]
|
| 894 |
+
yield a_vl.x
|
| 895 |
+
# Split the a + b edge of the initial triangulation:
|
| 896 |
+
c_vc = self.split_edge(vl.x, a_vu.x)
|
| 897 |
+
self.split_edge(vl.x, vu.x) # Equal to vc
|
| 898 |
+
c_vc.connect(vco)
|
| 899 |
+
c_vc.connect(vc)
|
| 900 |
+
c_vc.connect(vl) # Connect c + ac operations
|
| 901 |
+
c_vc.connect(vu) # Connect c + ac operations
|
| 902 |
+
c_vc.connect(a_vu) # Connect c + ac operations
|
| 903 |
+
yield (c_vc.x)
|
| 904 |
+
c_vu = self.split_edge(vu.x,
|
| 905 |
+
a_vu.x) # yield at end of loop
|
| 906 |
+
c_vu.connect(vco)
|
| 907 |
+
# Connect remaining cN group vertices
|
| 908 |
+
c_vc.connect(c_vu) # Connect cN group vertices
|
| 909 |
+
yield (c_vu.x)
|
| 910 |
+
|
| 911 |
+
# Update the containers
|
| 912 |
+
Cox[i + 1].append(vu)
|
| 913 |
+
Ccx[i + 1].append(c_vu)
|
| 914 |
+
Cux[i + 1].append(a_vu)
|
| 915 |
+
|
| 916 |
+
# Update old containers
|
| 917 |
+
s_ab_C.append([c_vc, vl, vu, a_vu])
|
| 918 |
+
|
| 919 |
+
yield a_vu.x
|
| 920 |
+
|
| 921 |
+
# Clean class trash
|
| 922 |
+
try:
|
| 923 |
+
del Cox
|
| 924 |
+
del Ccx
|
| 925 |
+
del Cux
|
| 926 |
+
del ab_C
|
| 927 |
+
del ab_Cc
|
| 928 |
+
except UnboundLocalError:
|
| 929 |
+
pass
|
| 930 |
+
|
| 931 |
+
try:
|
| 932 |
+
self.triangulated_vectors.remove((tuple(origin_c),
|
| 933 |
+
tuple(supremum_c)))
|
| 934 |
+
except ValueError:
|
| 935 |
+
# Turn this into a logging warning?
|
| 936 |
+
pass
|
| 937 |
+
# Add newly triangulated vectors:
|
| 938 |
+
for vs in sup_set:
|
| 939 |
+
self.triangulated_vectors.append((tuple(vco.x), tuple(vs.x)))
|
| 940 |
+
|
| 941 |
+
# Extra yield to ensure that the triangulation is completed
|
| 942 |
+
if centroid:
|
| 943 |
+
vcn_set = set()
|
| 944 |
+
c_nn_lists = []
|
| 945 |
+
for vs in sup_set:
|
| 946 |
+
# Build centroid
|
| 947 |
+
c_nn = self.vpool(vco.x, vs.x)
|
| 948 |
+
try:
|
| 949 |
+
c_nn.remove(vcn_set)
|
| 950 |
+
except KeyError:
|
| 951 |
+
pass
|
| 952 |
+
c_nn_lists.append(c_nn)
|
| 953 |
+
|
| 954 |
+
for c_nn in c_nn_lists:
|
| 955 |
+
try:
|
| 956 |
+
c_nn.remove(vcn_set)
|
| 957 |
+
except KeyError:
|
| 958 |
+
pass
|
| 959 |
+
|
| 960 |
+
for vs, c_nn in zip(sup_set, c_nn_lists):
|
| 961 |
+
# Build centroid
|
| 962 |
+
vcn = self.split_edge(vco.x, vs.x)
|
| 963 |
+
vcn_set.add(vcn)
|
| 964 |
+
try: # Shouldn't be needed?
|
| 965 |
+
c_nn.remove(vcn_set)
|
| 966 |
+
except KeyError:
|
| 967 |
+
pass
|
| 968 |
+
for vnn in c_nn:
|
| 969 |
+
vcn.connect(vnn)
|
| 970 |
+
yield vcn.x
|
| 971 |
+
else:
|
| 972 |
+
pass
|
| 973 |
+
|
| 974 |
+
yield vut
|
| 975 |
+
return
|
| 976 |
+
|
| 977 |
+
def refine_star(self, v):
|
| 978 |
+
"""Refine the star domain of a vertex `v`."""
|
| 979 |
+
# Copy lists before iteration
|
| 980 |
+
vnn = copy.copy(v.nn)
|
| 981 |
+
v1nn = []
|
| 982 |
+
d_v0v1_set = set()
|
| 983 |
+
for v1 in vnn:
|
| 984 |
+
v1nn.append(copy.copy(v1.nn))
|
| 985 |
+
|
| 986 |
+
for v1, v1nn in zip(vnn, v1nn):
|
| 987 |
+
vnnu = v1nn.intersection(vnn)
|
| 988 |
+
|
| 989 |
+
d_v0v1 = self.split_edge(v.x, v1.x)
|
| 990 |
+
for o_d_v0v1 in d_v0v1_set:
|
| 991 |
+
d_v0v1.connect(o_d_v0v1)
|
| 992 |
+
d_v0v1_set.add(d_v0v1)
|
| 993 |
+
for v2 in vnnu:
|
| 994 |
+
d_v1v2 = self.split_edge(v1.x, v2.x)
|
| 995 |
+
d_v0v1.connect(d_v1v2)
|
| 996 |
+
return
|
| 997 |
+
|
| 998 |
+
@cache
|
| 999 |
+
def split_edge(self, v1, v2):
|
| 1000 |
+
v1 = self.V[v1]
|
| 1001 |
+
v2 = self.V[v2]
|
| 1002 |
+
# Destroy original edge, if it exists:
|
| 1003 |
+
v1.disconnect(v2)
|
| 1004 |
+
# Compute vertex on centre of edge:
|
| 1005 |
+
try:
|
| 1006 |
+
vct = (v2.x_a - v1.x_a) / 2.0 + v1.x_a
|
| 1007 |
+
except TypeError: # Allow for decimal operations
|
| 1008 |
+
vct = (v2.x_a - v1.x_a) / decimal.Decimal(2.0) + v1.x_a
|
| 1009 |
+
|
| 1010 |
+
vc = self.V[tuple(vct)]
|
| 1011 |
+
# Connect to original 2 vertices to the new centre vertex
|
| 1012 |
+
vc.connect(v1)
|
| 1013 |
+
vc.connect(v2)
|
| 1014 |
+
return vc
|
| 1015 |
+
|
| 1016 |
+
def vpool(self, origin, supremum):
|
| 1017 |
+
vot = tuple(origin)
|
| 1018 |
+
vst = tuple(supremum)
|
| 1019 |
+
# Initiate vertices in case they don't exist
|
| 1020 |
+
vo = self.V[vot]
|
| 1021 |
+
vs = self.V[vst]
|
| 1022 |
+
|
| 1023 |
+
# Remove origin - supremum disconnect
|
| 1024 |
+
|
| 1025 |
+
# Find the lower/upper bounds of the refinement hyperrectangle
|
| 1026 |
+
bl = list(vot)
|
| 1027 |
+
bu = list(vst)
|
| 1028 |
+
for i, (voi, vsi) in enumerate(zip(vot, vst)):
|
| 1029 |
+
if bl[i] > vsi:
|
| 1030 |
+
bl[i] = vsi
|
| 1031 |
+
if bu[i] < voi:
|
| 1032 |
+
bu[i] = voi
|
| 1033 |
+
|
| 1034 |
+
# NOTE: This is mostly done with sets/lists because we aren't sure
|
| 1035 |
+
# how well the numpy arrays will scale to thousands of
|
| 1036 |
+
# dimensions.
|
| 1037 |
+
vn_pool = set()
|
| 1038 |
+
vn_pool.update(vo.nn)
|
| 1039 |
+
vn_pool.update(vs.nn)
|
| 1040 |
+
cvn_pool = copy.copy(vn_pool)
|
| 1041 |
+
for vn in cvn_pool:
|
| 1042 |
+
for i, xi in enumerate(vn.x):
|
| 1043 |
+
if bl[i] <= xi <= bu[i]:
|
| 1044 |
+
pass
|
| 1045 |
+
else:
|
| 1046 |
+
try:
|
| 1047 |
+
vn_pool.remove(vn)
|
| 1048 |
+
except KeyError:
|
| 1049 |
+
pass # NOTE: Not all neigbouds are in initial pool
|
| 1050 |
+
return vn_pool
|
| 1051 |
+
|
| 1052 |
+
def vf_to_vv(self, vertices, simplices):
|
| 1053 |
+
"""
|
| 1054 |
+
Convert a vertex-face mesh to a vertex-vertex mesh used by this class
|
| 1055 |
+
|
| 1056 |
+
Parameters
|
| 1057 |
+
----------
|
| 1058 |
+
vertices : list
|
| 1059 |
+
Vertices
|
| 1060 |
+
simplices : list
|
| 1061 |
+
Simplices
|
| 1062 |
+
"""
|
| 1063 |
+
if self.dim > 1:
|
| 1064 |
+
for s in simplices:
|
| 1065 |
+
edges = itertools.combinations(s, self.dim)
|
| 1066 |
+
for e in edges:
|
| 1067 |
+
self.V[tuple(vertices[e[0]])].connect(
|
| 1068 |
+
self.V[tuple(vertices[e[1]])])
|
| 1069 |
+
else:
|
| 1070 |
+
for e in simplices:
|
| 1071 |
+
self.V[tuple(vertices[e[0]])].connect(
|
| 1072 |
+
self.V[tuple(vertices[e[1]])])
|
| 1073 |
+
return
|
| 1074 |
+
|
| 1075 |
+
def connect_vertex_non_symm(self, v_x, near=None):
|
| 1076 |
+
"""
|
| 1077 |
+
Adds a vertex at coords v_x to the complex that is not symmetric to the
|
| 1078 |
+
initial triangulation and sub-triangulation.
|
| 1079 |
+
|
| 1080 |
+
If near is specified (for example; a star domain or collections of
|
| 1081 |
+
cells known to contain v) then only those simplices containd in near
|
| 1082 |
+
will be searched, this greatly speeds up the process.
|
| 1083 |
+
|
| 1084 |
+
If near is not specified this method will search the entire simplicial
|
| 1085 |
+
complex structure.
|
| 1086 |
+
|
| 1087 |
+
Parameters
|
| 1088 |
+
----------
|
| 1089 |
+
v_x : tuple
|
| 1090 |
+
Coordinates of non-symmetric vertex
|
| 1091 |
+
near : set or list
|
| 1092 |
+
List of vertices, these are points near v to check for
|
| 1093 |
+
"""
|
| 1094 |
+
if near is None:
|
| 1095 |
+
star = self.V
|
| 1096 |
+
else:
|
| 1097 |
+
star = near
|
| 1098 |
+
# Create the vertex origin
|
| 1099 |
+
if tuple(v_x) in self.V.cache:
|
| 1100 |
+
if self.V[v_x] in self.V_non_symm:
|
| 1101 |
+
pass
|
| 1102 |
+
else:
|
| 1103 |
+
return
|
| 1104 |
+
|
| 1105 |
+
self.V[v_x]
|
| 1106 |
+
found_nn = False
|
| 1107 |
+
S_rows = []
|
| 1108 |
+
for v in star:
|
| 1109 |
+
S_rows.append(v.x)
|
| 1110 |
+
|
| 1111 |
+
S_rows = np.array(S_rows)
|
| 1112 |
+
A = np.array(S_rows) - np.array(v_x)
|
| 1113 |
+
# Iterate through all the possible simplices of S_rows
|
| 1114 |
+
for s_i in itertools.combinations(range(S_rows.shape[0]),
|
| 1115 |
+
r=self.dim + 1):
|
| 1116 |
+
# Check if connected, else s_i is not a simplex
|
| 1117 |
+
valid_simplex = True
|
| 1118 |
+
for i in itertools.combinations(s_i, r=2):
|
| 1119 |
+
# Every combination of vertices must be connected, we check of
|
| 1120 |
+
# the current iteration of all combinations of s_i are
|
| 1121 |
+
# connected we break the loop if it is not.
|
| 1122 |
+
if ((self.V[tuple(S_rows[i[1]])] not in
|
| 1123 |
+
self.V[tuple(S_rows[i[0]])].nn)
|
| 1124 |
+
and (self.V[tuple(S_rows[i[0]])] not in
|
| 1125 |
+
self.V[tuple(S_rows[i[1]])].nn)):
|
| 1126 |
+
valid_simplex = False
|
| 1127 |
+
break
|
| 1128 |
+
|
| 1129 |
+
S = S_rows[tuple([s_i])]
|
| 1130 |
+
if valid_simplex:
|
| 1131 |
+
if self.deg_simplex(S, proj=None):
|
| 1132 |
+
valid_simplex = False
|
| 1133 |
+
|
| 1134 |
+
# If s_i is a valid simplex we can test if v_x is inside si
|
| 1135 |
+
if valid_simplex:
|
| 1136 |
+
# Find the A_j0 value from the precalculated values
|
| 1137 |
+
A_j0 = A[tuple([s_i])]
|
| 1138 |
+
if self.in_simplex(S, v_x, A_j0):
|
| 1139 |
+
found_nn = True
|
| 1140 |
+
# breaks the main for loop, s_i is the target simplex:
|
| 1141 |
+
break
|
| 1142 |
+
|
| 1143 |
+
# Connect the simplex to point
|
| 1144 |
+
if found_nn:
|
| 1145 |
+
for i in s_i:
|
| 1146 |
+
self.V[v_x].connect(self.V[tuple(S_rows[i])])
|
| 1147 |
+
# Attached the simplex to storage for all non-symmetric vertices
|
| 1148 |
+
self.V_non_symm.append(self.V[v_x])
|
| 1149 |
+
# this bool value indicates a successful connection if True:
|
| 1150 |
+
return found_nn
|
| 1151 |
+
|
| 1152 |
+
def in_simplex(self, S, v_x, A_j0=None):
|
| 1153 |
+
"""Check if a vector v_x is in simplex `S`.
|
| 1154 |
+
|
| 1155 |
+
Parameters
|
| 1156 |
+
----------
|
| 1157 |
+
S : array_like
|
| 1158 |
+
Array containing simplex entries of vertices as rows
|
| 1159 |
+
v_x :
|
| 1160 |
+
A candidate vertex
|
| 1161 |
+
A_j0 : array, optional,
|
| 1162 |
+
Allows for A_j0 to be pre-calculated
|
| 1163 |
+
|
| 1164 |
+
Returns
|
| 1165 |
+
-------
|
| 1166 |
+
res : boolean
|
| 1167 |
+
True if `v_x` is in `S`
|
| 1168 |
+
"""
|
| 1169 |
+
A_11 = np.delete(S, 0, 0) - S[0]
|
| 1170 |
+
|
| 1171 |
+
sign_det_A_11 = np.sign(np.linalg.det(A_11))
|
| 1172 |
+
if sign_det_A_11 == 0:
|
| 1173 |
+
# NOTE: We keep the variable A_11, but we loop through A_jj
|
| 1174 |
+
# ind=
|
| 1175 |
+
# while sign_det_A_11 == 0:
|
| 1176 |
+
# A_11 = np.delete(S, ind, 0) - S[ind]
|
| 1177 |
+
# sign_det_A_11 = np.sign(np.linalg.det(A_11))
|
| 1178 |
+
|
| 1179 |
+
sign_det_A_11 = -1 # TODO: Choose another det of j instead?
|
| 1180 |
+
# TODO: Unlikely to work in many cases
|
| 1181 |
+
|
| 1182 |
+
if A_j0 is None:
|
| 1183 |
+
A_j0 = S - v_x
|
| 1184 |
+
|
| 1185 |
+
for d in range(self.dim + 1):
|
| 1186 |
+
det_A_jj = (-1)**d * sign_det_A_11
|
| 1187 |
+
# TODO: Note that scipy might be faster to add as an optional
|
| 1188 |
+
# dependency
|
| 1189 |
+
sign_det_A_j0 = np.sign(np.linalg.det(np.delete(A_j0, d,
|
| 1190 |
+
0)))
|
| 1191 |
+
# TODO: Note if sign_det_A_j0 == then the point is coplanar to the
|
| 1192 |
+
# current simplex facet, so perhaps return True and attach?
|
| 1193 |
+
if det_A_jj == sign_det_A_j0:
|
| 1194 |
+
continue
|
| 1195 |
+
else:
|
| 1196 |
+
return False
|
| 1197 |
+
|
| 1198 |
+
return True
|
| 1199 |
+
|
| 1200 |
+
def deg_simplex(self, S, proj=None):
|
| 1201 |
+
"""Test a simplex S for degeneracy (linear dependence in R^dim).
|
| 1202 |
+
|
| 1203 |
+
Parameters
|
| 1204 |
+
----------
|
| 1205 |
+
S : np.array
|
| 1206 |
+
Simplex with rows as vertex vectors
|
| 1207 |
+
proj : array, optional,
|
| 1208 |
+
If the projection S[1:] - S[0] is already
|
| 1209 |
+
computed it can be added as an optional argument.
|
| 1210 |
+
"""
|
| 1211 |
+
# Strategy: we test all combination of faces, if any of the
|
| 1212 |
+
# determinants are zero then the vectors lie on the same face and is
|
| 1213 |
+
# therefore linearly dependent in the space of R^dim
|
| 1214 |
+
if proj is None:
|
| 1215 |
+
proj = S[1:] - S[0]
|
| 1216 |
+
|
| 1217 |
+
# TODO: Is checking the projection of one vertex against faces of other
|
| 1218 |
+
# vertices sufficient? Or do we need to check more vertices in
|
| 1219 |
+
# dimensions higher than 2?
|
| 1220 |
+
# TODO: Literature seems to suggest using proj.T, but why is this
|
| 1221 |
+
# needed?
|
| 1222 |
+
if np.linalg.det(proj) == 0.0: # TODO: Repalace with tolerance?
|
| 1223 |
+
return True # Simplex is degenerate
|
| 1224 |
+
else:
|
| 1225 |
+
return False # Simplex is not degenerate
|
vila/lib/python3.10/site-packages/scipy/optimize/_shgo_lib/_vertex.py
ADDED
|
@@ -0,0 +1,460 @@
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|
| 1 |
+
import collections
|
| 2 |
+
from abc import ABC, abstractmethod
|
| 3 |
+
|
| 4 |
+
import numpy as np
|
| 5 |
+
|
| 6 |
+
from scipy._lib._util import MapWrapper
|
| 7 |
+
|
| 8 |
+
|
| 9 |
+
class VertexBase(ABC):
|
| 10 |
+
"""
|
| 11 |
+
Base class for a vertex.
|
| 12 |
+
"""
|
| 13 |
+
def __init__(self, x, nn=None, index=None):
|
| 14 |
+
"""
|
| 15 |
+
Initiation of a vertex object.
|
| 16 |
+
|
| 17 |
+
Parameters
|
| 18 |
+
----------
|
| 19 |
+
x : tuple or vector
|
| 20 |
+
The geometric location (domain).
|
| 21 |
+
nn : list, optional
|
| 22 |
+
Nearest neighbour list.
|
| 23 |
+
index : int, optional
|
| 24 |
+
Index of vertex.
|
| 25 |
+
"""
|
| 26 |
+
self.x = x
|
| 27 |
+
self.hash = hash(self.x) # Save precomputed hash
|
| 28 |
+
|
| 29 |
+
if nn is not None:
|
| 30 |
+
self.nn = set(nn) # can use .indexupdate to add a new list
|
| 31 |
+
else:
|
| 32 |
+
self.nn = set()
|
| 33 |
+
|
| 34 |
+
self.index = index
|
| 35 |
+
|
| 36 |
+
def __hash__(self):
|
| 37 |
+
return self.hash
|
| 38 |
+
|
| 39 |
+
def __getattr__(self, item):
|
| 40 |
+
if item not in ['x_a']:
|
| 41 |
+
raise AttributeError(f"{type(self)} object has no attribute "
|
| 42 |
+
f"'{item}'")
|
| 43 |
+
if item == 'x_a':
|
| 44 |
+
self.x_a = np.array(self.x)
|
| 45 |
+
return self.x_a
|
| 46 |
+
|
| 47 |
+
@abstractmethod
|
| 48 |
+
def connect(self, v):
|
| 49 |
+
raise NotImplementedError("This method is only implemented with an "
|
| 50 |
+
"associated child of the base class.")
|
| 51 |
+
|
| 52 |
+
@abstractmethod
|
| 53 |
+
def disconnect(self, v):
|
| 54 |
+
raise NotImplementedError("This method is only implemented with an "
|
| 55 |
+
"associated child of the base class.")
|
| 56 |
+
|
| 57 |
+
def star(self):
|
| 58 |
+
"""Returns the star domain ``st(v)`` of the vertex.
|
| 59 |
+
|
| 60 |
+
Parameters
|
| 61 |
+
----------
|
| 62 |
+
v :
|
| 63 |
+
The vertex ``v`` in ``st(v)``
|
| 64 |
+
|
| 65 |
+
Returns
|
| 66 |
+
-------
|
| 67 |
+
st : set
|
| 68 |
+
A set containing all the vertices in ``st(v)``
|
| 69 |
+
"""
|
| 70 |
+
self.st = self.nn
|
| 71 |
+
self.st.add(self)
|
| 72 |
+
return self.st
|
| 73 |
+
|
| 74 |
+
|
| 75 |
+
class VertexScalarField(VertexBase):
|
| 76 |
+
"""
|
| 77 |
+
Add homology properties of a scalar field f: R^n --> R associated with
|
| 78 |
+
the geometry built from the VertexBase class
|
| 79 |
+
"""
|
| 80 |
+
|
| 81 |
+
def __init__(self, x, field=None, nn=None, index=None, field_args=(),
|
| 82 |
+
g_cons=None, g_cons_args=()):
|
| 83 |
+
"""
|
| 84 |
+
Parameters
|
| 85 |
+
----------
|
| 86 |
+
x : tuple,
|
| 87 |
+
vector of vertex coordinates
|
| 88 |
+
field : callable, optional
|
| 89 |
+
a scalar field f: R^n --> R associated with the geometry
|
| 90 |
+
nn : list, optional
|
| 91 |
+
list of nearest neighbours
|
| 92 |
+
index : int, optional
|
| 93 |
+
index of the vertex
|
| 94 |
+
field_args : tuple, optional
|
| 95 |
+
additional arguments to be passed to field
|
| 96 |
+
g_cons : callable, optional
|
| 97 |
+
constraints on the vertex
|
| 98 |
+
g_cons_args : tuple, optional
|
| 99 |
+
additional arguments to be passed to g_cons
|
| 100 |
+
|
| 101 |
+
"""
|
| 102 |
+
super().__init__(x, nn=nn, index=index)
|
| 103 |
+
|
| 104 |
+
# Note Vertex is only initiated once for all x so only
|
| 105 |
+
# evaluated once
|
| 106 |
+
# self.feasible = None
|
| 107 |
+
|
| 108 |
+
# self.f is externally defined by the cache to allow parallel
|
| 109 |
+
# processing
|
| 110 |
+
# None type that will break arithmetic operations unless defined
|
| 111 |
+
# self.f = None
|
| 112 |
+
|
| 113 |
+
self.check_min = True
|
| 114 |
+
self.check_max = True
|
| 115 |
+
|
| 116 |
+
def connect(self, v):
|
| 117 |
+
"""Connects self to another vertex object v.
|
| 118 |
+
|
| 119 |
+
Parameters
|
| 120 |
+
----------
|
| 121 |
+
v : VertexBase or VertexScalarField object
|
| 122 |
+
"""
|
| 123 |
+
if v is not self and v not in self.nn:
|
| 124 |
+
self.nn.add(v)
|
| 125 |
+
v.nn.add(self)
|
| 126 |
+
|
| 127 |
+
# Flags for checking homology properties:
|
| 128 |
+
self.check_min = True
|
| 129 |
+
self.check_max = True
|
| 130 |
+
v.check_min = True
|
| 131 |
+
v.check_max = True
|
| 132 |
+
|
| 133 |
+
def disconnect(self, v):
|
| 134 |
+
if v in self.nn:
|
| 135 |
+
self.nn.remove(v)
|
| 136 |
+
v.nn.remove(self)
|
| 137 |
+
|
| 138 |
+
# Flags for checking homology properties:
|
| 139 |
+
self.check_min = True
|
| 140 |
+
self.check_max = True
|
| 141 |
+
v.check_min = True
|
| 142 |
+
v.check_max = True
|
| 143 |
+
|
| 144 |
+
def minimiser(self):
|
| 145 |
+
"""Check whether this vertex is strictly less than all its
|
| 146 |
+
neighbours"""
|
| 147 |
+
if self.check_min:
|
| 148 |
+
self._min = all(self.f < v.f for v in self.nn)
|
| 149 |
+
self.check_min = False
|
| 150 |
+
|
| 151 |
+
return self._min
|
| 152 |
+
|
| 153 |
+
def maximiser(self):
|
| 154 |
+
"""
|
| 155 |
+
Check whether this vertex is strictly greater than all its
|
| 156 |
+
neighbours.
|
| 157 |
+
"""
|
| 158 |
+
if self.check_max:
|
| 159 |
+
self._max = all(self.f > v.f for v in self.nn)
|
| 160 |
+
self.check_max = False
|
| 161 |
+
|
| 162 |
+
return self._max
|
| 163 |
+
|
| 164 |
+
|
| 165 |
+
class VertexVectorField(VertexBase):
|
| 166 |
+
"""
|
| 167 |
+
Add homology properties of a scalar field f: R^n --> R^m associated with
|
| 168 |
+
the geometry built from the VertexBase class.
|
| 169 |
+
"""
|
| 170 |
+
|
| 171 |
+
def __init__(self, x, sfield=None, vfield=None, field_args=(),
|
| 172 |
+
vfield_args=(), g_cons=None,
|
| 173 |
+
g_cons_args=(), nn=None, index=None):
|
| 174 |
+
super().__init__(x, nn=nn, index=index)
|
| 175 |
+
|
| 176 |
+
raise NotImplementedError("This class is still a work in progress")
|
| 177 |
+
|
| 178 |
+
|
| 179 |
+
class VertexCacheBase:
|
| 180 |
+
"""Base class for a vertex cache for a simplicial complex."""
|
| 181 |
+
def __init__(self):
|
| 182 |
+
|
| 183 |
+
self.cache = collections.OrderedDict()
|
| 184 |
+
self.nfev = 0 # Feasible points
|
| 185 |
+
self.index = -1
|
| 186 |
+
|
| 187 |
+
def __iter__(self):
|
| 188 |
+
for v in self.cache:
|
| 189 |
+
yield self.cache[v]
|
| 190 |
+
return
|
| 191 |
+
|
| 192 |
+
def size(self):
|
| 193 |
+
"""Returns the size of the vertex cache."""
|
| 194 |
+
return self.index + 1
|
| 195 |
+
|
| 196 |
+
def print_out(self):
|
| 197 |
+
headlen = len(f"Vertex cache of size: {len(self.cache)}:")
|
| 198 |
+
print('=' * headlen)
|
| 199 |
+
print(f"Vertex cache of size: {len(self.cache)}:")
|
| 200 |
+
print('=' * headlen)
|
| 201 |
+
for v in self.cache:
|
| 202 |
+
self.cache[v].print_out()
|
| 203 |
+
|
| 204 |
+
|
| 205 |
+
class VertexCube(VertexBase):
|
| 206 |
+
"""Vertex class to be used for a pure simplicial complex with no associated
|
| 207 |
+
differential geometry (single level domain that exists in R^n)"""
|
| 208 |
+
def __init__(self, x, nn=None, index=None):
|
| 209 |
+
super().__init__(x, nn=nn, index=index)
|
| 210 |
+
|
| 211 |
+
def connect(self, v):
|
| 212 |
+
if v is not self and v not in self.nn:
|
| 213 |
+
self.nn.add(v)
|
| 214 |
+
v.nn.add(self)
|
| 215 |
+
|
| 216 |
+
def disconnect(self, v):
|
| 217 |
+
if v in self.nn:
|
| 218 |
+
self.nn.remove(v)
|
| 219 |
+
v.nn.remove(self)
|
| 220 |
+
|
| 221 |
+
|
| 222 |
+
class VertexCacheIndex(VertexCacheBase):
|
| 223 |
+
def __init__(self):
|
| 224 |
+
"""
|
| 225 |
+
Class for a vertex cache for a simplicial complex without an associated
|
| 226 |
+
field. Useful only for building and visualising a domain complex.
|
| 227 |
+
|
| 228 |
+
Parameters
|
| 229 |
+
----------
|
| 230 |
+
"""
|
| 231 |
+
super().__init__()
|
| 232 |
+
self.Vertex = VertexCube
|
| 233 |
+
|
| 234 |
+
def __getitem__(self, x, nn=None):
|
| 235 |
+
try:
|
| 236 |
+
return self.cache[x]
|
| 237 |
+
except KeyError:
|
| 238 |
+
self.index += 1
|
| 239 |
+
xval = self.Vertex(x, index=self.index)
|
| 240 |
+
# logging.info("New generated vertex at x = {}".format(x))
|
| 241 |
+
# NOTE: Surprisingly high performance increase if logging
|
| 242 |
+
# is commented out
|
| 243 |
+
self.cache[x] = xval
|
| 244 |
+
return self.cache[x]
|
| 245 |
+
|
| 246 |
+
|
| 247 |
+
class VertexCacheField(VertexCacheBase):
|
| 248 |
+
def __init__(self, field=None, field_args=(), g_cons=None, g_cons_args=(),
|
| 249 |
+
workers=1):
|
| 250 |
+
"""
|
| 251 |
+
Class for a vertex cache for a simplicial complex with an associated
|
| 252 |
+
field.
|
| 253 |
+
|
| 254 |
+
Parameters
|
| 255 |
+
----------
|
| 256 |
+
field : callable
|
| 257 |
+
Scalar or vector field callable.
|
| 258 |
+
field_args : tuple, optional
|
| 259 |
+
Any additional fixed parameters needed to completely specify the
|
| 260 |
+
field function
|
| 261 |
+
g_cons : dict or sequence of dict, optional
|
| 262 |
+
Constraints definition.
|
| 263 |
+
Function(s) ``R**n`` in the form::
|
| 264 |
+
g_cons_args : tuple, optional
|
| 265 |
+
Any additional fixed parameters needed to completely specify the
|
| 266 |
+
constraint functions
|
| 267 |
+
workers : int optional
|
| 268 |
+
Uses `multiprocessing.Pool <multiprocessing>`) to compute the field
|
| 269 |
+
functions in parallel.
|
| 270 |
+
|
| 271 |
+
"""
|
| 272 |
+
super().__init__()
|
| 273 |
+
self.index = -1
|
| 274 |
+
self.Vertex = VertexScalarField
|
| 275 |
+
self.field = field
|
| 276 |
+
self.field_args = field_args
|
| 277 |
+
self.wfield = FieldWrapper(field, field_args) # if workers is not 1
|
| 278 |
+
|
| 279 |
+
self.g_cons = g_cons
|
| 280 |
+
self.g_cons_args = g_cons_args
|
| 281 |
+
self.wgcons = ConstraintWrapper(g_cons, g_cons_args)
|
| 282 |
+
self.gpool = set() # A set of tuples to process for feasibility
|
| 283 |
+
|
| 284 |
+
# Field processing objects
|
| 285 |
+
self.fpool = set() # A set of tuples to process for scalar function
|
| 286 |
+
self.sfc_lock = False # True if self.fpool is non-Empty
|
| 287 |
+
|
| 288 |
+
self.workers = workers
|
| 289 |
+
self._mapwrapper = MapWrapper(workers)
|
| 290 |
+
|
| 291 |
+
if workers == 1:
|
| 292 |
+
self.process_gpool = self.proc_gpool
|
| 293 |
+
if g_cons is None:
|
| 294 |
+
self.process_fpool = self.proc_fpool_nog
|
| 295 |
+
else:
|
| 296 |
+
self.process_fpool = self.proc_fpool_g
|
| 297 |
+
else:
|
| 298 |
+
self.process_gpool = self.pproc_gpool
|
| 299 |
+
if g_cons is None:
|
| 300 |
+
self.process_fpool = self.pproc_fpool_nog
|
| 301 |
+
else:
|
| 302 |
+
self.process_fpool = self.pproc_fpool_g
|
| 303 |
+
|
| 304 |
+
def __getitem__(self, x, nn=None):
|
| 305 |
+
try:
|
| 306 |
+
return self.cache[x]
|
| 307 |
+
except KeyError:
|
| 308 |
+
self.index += 1
|
| 309 |
+
xval = self.Vertex(x, field=self.field, nn=nn, index=self.index,
|
| 310 |
+
field_args=self.field_args,
|
| 311 |
+
g_cons=self.g_cons,
|
| 312 |
+
g_cons_args=self.g_cons_args)
|
| 313 |
+
|
| 314 |
+
self.cache[x] = xval # Define in cache
|
| 315 |
+
self.gpool.add(xval) # Add to pool for processing feasibility
|
| 316 |
+
self.fpool.add(xval) # Add to pool for processing field values
|
| 317 |
+
return self.cache[x]
|
| 318 |
+
|
| 319 |
+
def __getstate__(self):
|
| 320 |
+
self_dict = self.__dict__.copy()
|
| 321 |
+
del self_dict['pool']
|
| 322 |
+
return self_dict
|
| 323 |
+
|
| 324 |
+
def process_pools(self):
|
| 325 |
+
if self.g_cons is not None:
|
| 326 |
+
self.process_gpool()
|
| 327 |
+
self.process_fpool()
|
| 328 |
+
self.proc_minimisers()
|
| 329 |
+
|
| 330 |
+
def feasibility_check(self, v):
|
| 331 |
+
v.feasible = True
|
| 332 |
+
for g, args in zip(self.g_cons, self.g_cons_args):
|
| 333 |
+
# constraint may return more than 1 value.
|
| 334 |
+
if np.any(g(v.x_a, *args) < 0.0):
|
| 335 |
+
v.f = np.inf
|
| 336 |
+
v.feasible = False
|
| 337 |
+
break
|
| 338 |
+
|
| 339 |
+
def compute_sfield(self, v):
|
| 340 |
+
"""Compute the scalar field values of a vertex object `v`.
|
| 341 |
+
|
| 342 |
+
Parameters
|
| 343 |
+
----------
|
| 344 |
+
v : VertexBase or VertexScalarField object
|
| 345 |
+
"""
|
| 346 |
+
try:
|
| 347 |
+
v.f = self.field(v.x_a, *self.field_args)
|
| 348 |
+
self.nfev += 1
|
| 349 |
+
except AttributeError:
|
| 350 |
+
v.f = np.inf
|
| 351 |
+
# logging.warning(f"Field function not found at x = {self.x_a}")
|
| 352 |
+
if np.isnan(v.f):
|
| 353 |
+
v.f = np.inf
|
| 354 |
+
|
| 355 |
+
def proc_gpool(self):
|
| 356 |
+
"""Process all constraints."""
|
| 357 |
+
if self.g_cons is not None:
|
| 358 |
+
for v in self.gpool:
|
| 359 |
+
self.feasibility_check(v)
|
| 360 |
+
# Clean the pool
|
| 361 |
+
self.gpool = set()
|
| 362 |
+
|
| 363 |
+
def pproc_gpool(self):
|
| 364 |
+
"""Process all constraints in parallel."""
|
| 365 |
+
gpool_l = []
|
| 366 |
+
for v in self.gpool:
|
| 367 |
+
gpool_l.append(v.x_a)
|
| 368 |
+
|
| 369 |
+
G = self._mapwrapper(self.wgcons.gcons, gpool_l)
|
| 370 |
+
for v, g in zip(self.gpool, G):
|
| 371 |
+
v.feasible = g # set vertex object attribute v.feasible = g (bool)
|
| 372 |
+
|
| 373 |
+
def proc_fpool_g(self):
|
| 374 |
+
"""Process all field functions with constraints supplied."""
|
| 375 |
+
for v in self.fpool:
|
| 376 |
+
if v.feasible:
|
| 377 |
+
self.compute_sfield(v)
|
| 378 |
+
# Clean the pool
|
| 379 |
+
self.fpool = set()
|
| 380 |
+
|
| 381 |
+
def proc_fpool_nog(self):
|
| 382 |
+
"""Process all field functions with no constraints supplied."""
|
| 383 |
+
for v in self.fpool:
|
| 384 |
+
self.compute_sfield(v)
|
| 385 |
+
# Clean the pool
|
| 386 |
+
self.fpool = set()
|
| 387 |
+
|
| 388 |
+
def pproc_fpool_g(self):
|
| 389 |
+
"""
|
| 390 |
+
Process all field functions with constraints supplied in parallel.
|
| 391 |
+
"""
|
| 392 |
+
self.wfield.func
|
| 393 |
+
fpool_l = []
|
| 394 |
+
for v in self.fpool:
|
| 395 |
+
if v.feasible:
|
| 396 |
+
fpool_l.append(v.x_a)
|
| 397 |
+
else:
|
| 398 |
+
v.f = np.inf
|
| 399 |
+
F = self._mapwrapper(self.wfield.func, fpool_l)
|
| 400 |
+
for va, f in zip(fpool_l, F):
|
| 401 |
+
vt = tuple(va)
|
| 402 |
+
self[vt].f = f # set vertex object attribute v.f = f
|
| 403 |
+
self.nfev += 1
|
| 404 |
+
# Clean the pool
|
| 405 |
+
self.fpool = set()
|
| 406 |
+
|
| 407 |
+
def pproc_fpool_nog(self):
|
| 408 |
+
"""
|
| 409 |
+
Process all field functions with no constraints supplied in parallel.
|
| 410 |
+
"""
|
| 411 |
+
self.wfield.func
|
| 412 |
+
fpool_l = []
|
| 413 |
+
for v in self.fpool:
|
| 414 |
+
fpool_l.append(v.x_a)
|
| 415 |
+
F = self._mapwrapper(self.wfield.func, fpool_l)
|
| 416 |
+
for va, f in zip(fpool_l, F):
|
| 417 |
+
vt = tuple(va)
|
| 418 |
+
self[vt].f = f # set vertex object attribute v.f = f
|
| 419 |
+
self.nfev += 1
|
| 420 |
+
# Clean the pool
|
| 421 |
+
self.fpool = set()
|
| 422 |
+
|
| 423 |
+
def proc_minimisers(self):
|
| 424 |
+
"""Check for minimisers."""
|
| 425 |
+
for v in self:
|
| 426 |
+
v.minimiser()
|
| 427 |
+
v.maximiser()
|
| 428 |
+
|
| 429 |
+
|
| 430 |
+
class ConstraintWrapper:
|
| 431 |
+
"""Object to wrap constraints to pass to `multiprocessing.Pool`."""
|
| 432 |
+
def __init__(self, g_cons, g_cons_args):
|
| 433 |
+
self.g_cons = g_cons
|
| 434 |
+
self.g_cons_args = g_cons_args
|
| 435 |
+
|
| 436 |
+
def gcons(self, v_x_a):
|
| 437 |
+
vfeasible = True
|
| 438 |
+
for g, args in zip(self.g_cons, self.g_cons_args):
|
| 439 |
+
# constraint may return more than 1 value.
|
| 440 |
+
if np.any(g(v_x_a, *args) < 0.0):
|
| 441 |
+
vfeasible = False
|
| 442 |
+
break
|
| 443 |
+
return vfeasible
|
| 444 |
+
|
| 445 |
+
|
| 446 |
+
class FieldWrapper:
|
| 447 |
+
"""Object to wrap field to pass to `multiprocessing.Pool`."""
|
| 448 |
+
def __init__(self, field, field_args):
|
| 449 |
+
self.field = field
|
| 450 |
+
self.field_args = field_args
|
| 451 |
+
|
| 452 |
+
def func(self, v_x_a):
|
| 453 |
+
try:
|
| 454 |
+
v_f = self.field(v_x_a, *self.field_args)
|
| 455 |
+
except Exception:
|
| 456 |
+
v_f = np.inf
|
| 457 |
+
if np.isnan(v_f):
|
| 458 |
+
v_f = np.inf
|
| 459 |
+
|
| 460 |
+
return v_f
|
vila/lib/python3.10/site-packages/scipy/optimize/_slsqp.cpython-310-x86_64-linux-gnu.so
ADDED
|
Binary file (86.6 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_tnc.py
ADDED
|
@@ -0,0 +1,430 @@
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|
|
|
| 1 |
+
# TNC Python interface
|
| 2 |
+
# @(#) $Jeannot: tnc.py,v 1.11 2005/01/28 18:27:31 js Exp $
|
| 3 |
+
|
| 4 |
+
# Copyright (c) 2004-2005, Jean-Sebastien Roy (js@jeannot.org)
|
| 5 |
+
|
| 6 |
+
# Permission is hereby granted, free of charge, to any person obtaining a
|
| 7 |
+
# copy of this software and associated documentation files (the
|
| 8 |
+
# "Software"), to deal in the Software without restriction, including
|
| 9 |
+
# without limitation the rights to use, copy, modify, merge, publish,
|
| 10 |
+
# distribute, sublicense, and/or sell copies of the Software, and to
|
| 11 |
+
# permit persons to whom the Software is furnished to do so, subject to
|
| 12 |
+
# the following conditions:
|
| 13 |
+
|
| 14 |
+
# The above copyright notice and this permission notice shall be included
|
| 15 |
+
# in all copies or substantial portions of the Software.
|
| 16 |
+
|
| 17 |
+
# THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS
|
| 18 |
+
# OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
|
| 19 |
+
# MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT.
|
| 20 |
+
# IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY
|
| 21 |
+
# CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT,
|
| 22 |
+
# TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE
|
| 23 |
+
# SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
|
| 24 |
+
|
| 25 |
+
"""
|
| 26 |
+
TNC: A Python interface to the TNC non-linear optimizer
|
| 27 |
+
|
| 28 |
+
TNC is a non-linear optimizer. To use it, you must provide a function to
|
| 29 |
+
minimize. The function must take one argument: the list of coordinates where to
|
| 30 |
+
evaluate the function; and it must return either a tuple, whose first element is the
|
| 31 |
+
value of the function, and whose second argument is the gradient of the function
|
| 32 |
+
(as a list of values); or None, to abort the minimization.
|
| 33 |
+
"""
|
| 34 |
+
|
| 35 |
+
from scipy.optimize import _moduleTNC as moduleTNC
|
| 36 |
+
from ._optimize import (MemoizeJac, OptimizeResult, _check_unknown_options,
|
| 37 |
+
_prepare_scalar_function)
|
| 38 |
+
from ._constraints import old_bound_to_new
|
| 39 |
+
from scipy._lib._array_api import atleast_nd, array_namespace
|
| 40 |
+
|
| 41 |
+
from numpy import inf, array, zeros
|
| 42 |
+
|
| 43 |
+
__all__ = ['fmin_tnc']
|
| 44 |
+
|
| 45 |
+
|
| 46 |
+
MSG_NONE = 0 # No messages
|
| 47 |
+
MSG_ITER = 1 # One line per iteration
|
| 48 |
+
MSG_INFO = 2 # Informational messages
|
| 49 |
+
MSG_VERS = 4 # Version info
|
| 50 |
+
MSG_EXIT = 8 # Exit reasons
|
| 51 |
+
MSG_ALL = MSG_ITER + MSG_INFO + MSG_VERS + MSG_EXIT
|
| 52 |
+
|
| 53 |
+
MSGS = {
|
| 54 |
+
MSG_NONE: "No messages",
|
| 55 |
+
MSG_ITER: "One line per iteration",
|
| 56 |
+
MSG_INFO: "Informational messages",
|
| 57 |
+
MSG_VERS: "Version info",
|
| 58 |
+
MSG_EXIT: "Exit reasons",
|
| 59 |
+
MSG_ALL: "All messages"
|
| 60 |
+
}
|
| 61 |
+
|
| 62 |
+
INFEASIBLE = -1 # Infeasible (lower bound > upper bound)
|
| 63 |
+
LOCALMINIMUM = 0 # Local minimum reached (|pg| ~= 0)
|
| 64 |
+
FCONVERGED = 1 # Converged (|f_n-f_(n-1)| ~= 0)
|
| 65 |
+
XCONVERGED = 2 # Converged (|x_n-x_(n-1)| ~= 0)
|
| 66 |
+
MAXFUN = 3 # Max. number of function evaluations reached
|
| 67 |
+
LSFAIL = 4 # Linear search failed
|
| 68 |
+
CONSTANT = 5 # All lower bounds are equal to the upper bounds
|
| 69 |
+
NOPROGRESS = 6 # Unable to progress
|
| 70 |
+
USERABORT = 7 # User requested end of minimization
|
| 71 |
+
|
| 72 |
+
RCSTRINGS = {
|
| 73 |
+
INFEASIBLE: "Infeasible (lower bound > upper bound)",
|
| 74 |
+
LOCALMINIMUM: "Local minimum reached (|pg| ~= 0)",
|
| 75 |
+
FCONVERGED: "Converged (|f_n-f_(n-1)| ~= 0)",
|
| 76 |
+
XCONVERGED: "Converged (|x_n-x_(n-1)| ~= 0)",
|
| 77 |
+
MAXFUN: "Max. number of function evaluations reached",
|
| 78 |
+
LSFAIL: "Linear search failed",
|
| 79 |
+
CONSTANT: "All lower bounds are equal to the upper bounds",
|
| 80 |
+
NOPROGRESS: "Unable to progress",
|
| 81 |
+
USERABORT: "User requested end of minimization"
|
| 82 |
+
}
|
| 83 |
+
|
| 84 |
+
# Changes to interface made by Travis Oliphant, Apr. 2004 for inclusion in
|
| 85 |
+
# SciPy
|
| 86 |
+
|
| 87 |
+
|
| 88 |
+
def fmin_tnc(func, x0, fprime=None, args=(), approx_grad=0,
|
| 89 |
+
bounds=None, epsilon=1e-8, scale=None, offset=None,
|
| 90 |
+
messages=MSG_ALL, maxCGit=-1, maxfun=None, eta=-1,
|
| 91 |
+
stepmx=0, accuracy=0, fmin=0, ftol=-1, xtol=-1, pgtol=-1,
|
| 92 |
+
rescale=-1, disp=None, callback=None):
|
| 93 |
+
"""
|
| 94 |
+
Minimize a function with variables subject to bounds, using
|
| 95 |
+
gradient information in a truncated Newton algorithm. This
|
| 96 |
+
method wraps a C implementation of the algorithm.
|
| 97 |
+
|
| 98 |
+
Parameters
|
| 99 |
+
----------
|
| 100 |
+
func : callable ``func(x, *args)``
|
| 101 |
+
Function to minimize. Must do one of:
|
| 102 |
+
|
| 103 |
+
1. Return f and g, where f is the value of the function and g its
|
| 104 |
+
gradient (a list of floats).
|
| 105 |
+
|
| 106 |
+
2. Return the function value but supply gradient function
|
| 107 |
+
separately as `fprime`.
|
| 108 |
+
|
| 109 |
+
3. Return the function value and set ``approx_grad=True``.
|
| 110 |
+
|
| 111 |
+
If the function returns None, the minimization
|
| 112 |
+
is aborted.
|
| 113 |
+
x0 : array_like
|
| 114 |
+
Initial estimate of minimum.
|
| 115 |
+
fprime : callable ``fprime(x, *args)``, optional
|
| 116 |
+
Gradient of `func`. If None, then either `func` must return the
|
| 117 |
+
function value and the gradient (``f,g = func(x, *args)``)
|
| 118 |
+
or `approx_grad` must be True.
|
| 119 |
+
args : tuple, optional
|
| 120 |
+
Arguments to pass to function.
|
| 121 |
+
approx_grad : bool, optional
|
| 122 |
+
If true, approximate the gradient numerically.
|
| 123 |
+
bounds : list, optional
|
| 124 |
+
(min, max) pairs for each element in x0, defining the
|
| 125 |
+
bounds on that parameter. Use None or +/-inf for one of
|
| 126 |
+
min or max when there is no bound in that direction.
|
| 127 |
+
epsilon : float, optional
|
| 128 |
+
Used if approx_grad is True. The stepsize in a finite
|
| 129 |
+
difference approximation for fprime.
|
| 130 |
+
scale : array_like, optional
|
| 131 |
+
Scaling factors to apply to each variable. If None, the
|
| 132 |
+
factors are up-low for interval bounded variables and
|
| 133 |
+
1+|x| for the others. Defaults to None.
|
| 134 |
+
offset : array_like, optional
|
| 135 |
+
Value to subtract from each variable. If None, the
|
| 136 |
+
offsets are (up+low)/2 for interval bounded variables
|
| 137 |
+
and x for the others.
|
| 138 |
+
messages : int, optional
|
| 139 |
+
Bit mask used to select messages display during
|
| 140 |
+
minimization values defined in the MSGS dict. Defaults to
|
| 141 |
+
MGS_ALL.
|
| 142 |
+
disp : int, optional
|
| 143 |
+
Integer interface to messages. 0 = no message, 5 = all messages
|
| 144 |
+
maxCGit : int, optional
|
| 145 |
+
Maximum number of hessian*vector evaluations per main
|
| 146 |
+
iteration. If maxCGit == 0, the direction chosen is
|
| 147 |
+
-gradient if maxCGit < 0, maxCGit is set to
|
| 148 |
+
max(1,min(50,n/2)). Defaults to -1.
|
| 149 |
+
maxfun : int, optional
|
| 150 |
+
Maximum number of function evaluation. If None, maxfun is
|
| 151 |
+
set to max(100, 10*len(x0)). Defaults to None. Note that this function
|
| 152 |
+
may violate the limit because of evaluating gradients by numerical
|
| 153 |
+
differentiation.
|
| 154 |
+
eta : float, optional
|
| 155 |
+
Severity of the line search. If < 0 or > 1, set to 0.25.
|
| 156 |
+
Defaults to -1.
|
| 157 |
+
stepmx : float, optional
|
| 158 |
+
Maximum step for the line search. May be increased during
|
| 159 |
+
call. If too small, it will be set to 10.0. Defaults to 0.
|
| 160 |
+
accuracy : float, optional
|
| 161 |
+
Relative precision for finite difference calculations. If
|
| 162 |
+
<= machine_precision, set to sqrt(machine_precision).
|
| 163 |
+
Defaults to 0.
|
| 164 |
+
fmin : float, optional
|
| 165 |
+
Minimum function value estimate. Defaults to 0.
|
| 166 |
+
ftol : float, optional
|
| 167 |
+
Precision goal for the value of f in the stopping criterion.
|
| 168 |
+
If ftol < 0.0, ftol is set to 0.0 defaults to -1.
|
| 169 |
+
xtol : float, optional
|
| 170 |
+
Precision goal for the value of x in the stopping
|
| 171 |
+
criterion (after applying x scaling factors). If xtol <
|
| 172 |
+
0.0, xtol is set to sqrt(machine_precision). Defaults to
|
| 173 |
+
-1.
|
| 174 |
+
pgtol : float, optional
|
| 175 |
+
Precision goal for the value of the projected gradient in
|
| 176 |
+
the stopping criterion (after applying x scaling factors).
|
| 177 |
+
If pgtol < 0.0, pgtol is set to 1e-2 * sqrt(accuracy).
|
| 178 |
+
Setting it to 0.0 is not recommended. Defaults to -1.
|
| 179 |
+
rescale : float, optional
|
| 180 |
+
Scaling factor (in log10) used to trigger f value
|
| 181 |
+
rescaling. If 0, rescale at each iteration. If a large
|
| 182 |
+
value, never rescale. If < 0, rescale is set to 1.3.
|
| 183 |
+
callback : callable, optional
|
| 184 |
+
Called after each iteration, as callback(xk), where xk is the
|
| 185 |
+
current parameter vector.
|
| 186 |
+
|
| 187 |
+
Returns
|
| 188 |
+
-------
|
| 189 |
+
x : ndarray
|
| 190 |
+
The solution.
|
| 191 |
+
nfeval : int
|
| 192 |
+
The number of function evaluations.
|
| 193 |
+
rc : int
|
| 194 |
+
Return code, see below
|
| 195 |
+
|
| 196 |
+
See also
|
| 197 |
+
--------
|
| 198 |
+
minimize: Interface to minimization algorithms for multivariate
|
| 199 |
+
functions. See the 'TNC' `method` in particular.
|
| 200 |
+
|
| 201 |
+
Notes
|
| 202 |
+
-----
|
| 203 |
+
The underlying algorithm is truncated Newton, also called
|
| 204 |
+
Newton Conjugate-Gradient. This method differs from
|
| 205 |
+
scipy.optimize.fmin_ncg in that
|
| 206 |
+
|
| 207 |
+
1. it wraps a C implementation of the algorithm
|
| 208 |
+
2. it allows each variable to be given an upper and lower bound.
|
| 209 |
+
|
| 210 |
+
The algorithm incorporates the bound constraints by determining
|
| 211 |
+
the descent direction as in an unconstrained truncated Newton,
|
| 212 |
+
but never taking a step-size large enough to leave the space
|
| 213 |
+
of feasible x's. The algorithm keeps track of a set of
|
| 214 |
+
currently active constraints, and ignores them when computing
|
| 215 |
+
the minimum allowable step size. (The x's associated with the
|
| 216 |
+
active constraint are kept fixed.) If the maximum allowable
|
| 217 |
+
step size is zero then a new constraint is added. At the end
|
| 218 |
+
of each iteration one of the constraints may be deemed no
|
| 219 |
+
longer active and removed. A constraint is considered
|
| 220 |
+
no longer active is if it is currently active
|
| 221 |
+
but the gradient for that variable points inward from the
|
| 222 |
+
constraint. The specific constraint removed is the one
|
| 223 |
+
associated with the variable of largest index whose
|
| 224 |
+
constraint is no longer active.
|
| 225 |
+
|
| 226 |
+
Return codes are defined as follows::
|
| 227 |
+
|
| 228 |
+
-1 : Infeasible (lower bound > upper bound)
|
| 229 |
+
0 : Local minimum reached (|pg| ~= 0)
|
| 230 |
+
1 : Converged (|f_n-f_(n-1)| ~= 0)
|
| 231 |
+
2 : Converged (|x_n-x_(n-1)| ~= 0)
|
| 232 |
+
3 : Max. number of function evaluations reached
|
| 233 |
+
4 : Linear search failed
|
| 234 |
+
5 : All lower bounds are equal to the upper bounds
|
| 235 |
+
6 : Unable to progress
|
| 236 |
+
7 : User requested end of minimization
|
| 237 |
+
|
| 238 |
+
References
|
| 239 |
+
----------
|
| 240 |
+
Wright S., Nocedal J. (2006), 'Numerical Optimization'
|
| 241 |
+
|
| 242 |
+
Nash S.G. (1984), "Newton-Type Minimization Via the Lanczos Method",
|
| 243 |
+
SIAM Journal of Numerical Analysis 21, pp. 770-778
|
| 244 |
+
|
| 245 |
+
"""
|
| 246 |
+
# handle fprime/approx_grad
|
| 247 |
+
if approx_grad:
|
| 248 |
+
fun = func
|
| 249 |
+
jac = None
|
| 250 |
+
elif fprime is None:
|
| 251 |
+
fun = MemoizeJac(func)
|
| 252 |
+
jac = fun.derivative
|
| 253 |
+
else:
|
| 254 |
+
fun = func
|
| 255 |
+
jac = fprime
|
| 256 |
+
|
| 257 |
+
if disp is not None: # disp takes precedence over messages
|
| 258 |
+
mesg_num = disp
|
| 259 |
+
else:
|
| 260 |
+
mesg_num = {0:MSG_NONE, 1:MSG_ITER, 2:MSG_INFO, 3:MSG_VERS,
|
| 261 |
+
4:MSG_EXIT, 5:MSG_ALL}.get(messages, MSG_ALL)
|
| 262 |
+
# build options
|
| 263 |
+
opts = {'eps': epsilon,
|
| 264 |
+
'scale': scale,
|
| 265 |
+
'offset': offset,
|
| 266 |
+
'mesg_num': mesg_num,
|
| 267 |
+
'maxCGit': maxCGit,
|
| 268 |
+
'maxfun': maxfun,
|
| 269 |
+
'eta': eta,
|
| 270 |
+
'stepmx': stepmx,
|
| 271 |
+
'accuracy': accuracy,
|
| 272 |
+
'minfev': fmin,
|
| 273 |
+
'ftol': ftol,
|
| 274 |
+
'xtol': xtol,
|
| 275 |
+
'gtol': pgtol,
|
| 276 |
+
'rescale': rescale,
|
| 277 |
+
'disp': False}
|
| 278 |
+
|
| 279 |
+
res = _minimize_tnc(fun, x0, args, jac, bounds, callback=callback, **opts)
|
| 280 |
+
|
| 281 |
+
return res['x'], res['nfev'], res['status']
|
| 282 |
+
|
| 283 |
+
|
| 284 |
+
def _minimize_tnc(fun, x0, args=(), jac=None, bounds=None,
|
| 285 |
+
eps=1e-8, scale=None, offset=None, mesg_num=None,
|
| 286 |
+
maxCGit=-1, eta=-1, stepmx=0, accuracy=0,
|
| 287 |
+
minfev=0, ftol=-1, xtol=-1, gtol=-1, rescale=-1, disp=False,
|
| 288 |
+
callback=None, finite_diff_rel_step=None, maxfun=None,
|
| 289 |
+
**unknown_options):
|
| 290 |
+
"""
|
| 291 |
+
Minimize a scalar function of one or more variables using a truncated
|
| 292 |
+
Newton (TNC) algorithm.
|
| 293 |
+
|
| 294 |
+
Options
|
| 295 |
+
-------
|
| 296 |
+
eps : float or ndarray
|
| 297 |
+
If `jac is None` the absolute step size used for numerical
|
| 298 |
+
approximation of the jacobian via forward differences.
|
| 299 |
+
scale : list of floats
|
| 300 |
+
Scaling factors to apply to each variable. If None, the
|
| 301 |
+
factors are up-low for interval bounded variables and
|
| 302 |
+
1+|x] for the others. Defaults to None.
|
| 303 |
+
offset : float
|
| 304 |
+
Value to subtract from each variable. If None, the
|
| 305 |
+
offsets are (up+low)/2 for interval bounded variables
|
| 306 |
+
and x for the others.
|
| 307 |
+
disp : bool
|
| 308 |
+
Set to True to print convergence messages.
|
| 309 |
+
maxCGit : int
|
| 310 |
+
Maximum number of hessian*vector evaluations per main
|
| 311 |
+
iteration. If maxCGit == 0, the direction chosen is
|
| 312 |
+
-gradient if maxCGit < 0, maxCGit is set to
|
| 313 |
+
max(1,min(50,n/2)). Defaults to -1.
|
| 314 |
+
eta : float
|
| 315 |
+
Severity of the line search. If < 0 or > 1, set to 0.25.
|
| 316 |
+
Defaults to -1.
|
| 317 |
+
stepmx : float
|
| 318 |
+
Maximum step for the line search. May be increased during
|
| 319 |
+
call. If too small, it will be set to 10.0. Defaults to 0.
|
| 320 |
+
accuracy : float
|
| 321 |
+
Relative precision for finite difference calculations. If
|
| 322 |
+
<= machine_precision, set to sqrt(machine_precision).
|
| 323 |
+
Defaults to 0.
|
| 324 |
+
minfev : float
|
| 325 |
+
Minimum function value estimate. Defaults to 0.
|
| 326 |
+
ftol : float
|
| 327 |
+
Precision goal for the value of f in the stopping criterion.
|
| 328 |
+
If ftol < 0.0, ftol is set to 0.0 defaults to -1.
|
| 329 |
+
xtol : float
|
| 330 |
+
Precision goal for the value of x in the stopping
|
| 331 |
+
criterion (after applying x scaling factors). If xtol <
|
| 332 |
+
0.0, xtol is set to sqrt(machine_precision). Defaults to
|
| 333 |
+
-1.
|
| 334 |
+
gtol : float
|
| 335 |
+
Precision goal for the value of the projected gradient in
|
| 336 |
+
the stopping criterion (after applying x scaling factors).
|
| 337 |
+
If gtol < 0.0, gtol is set to 1e-2 * sqrt(accuracy).
|
| 338 |
+
Setting it to 0.0 is not recommended. Defaults to -1.
|
| 339 |
+
rescale : float
|
| 340 |
+
Scaling factor (in log10) used to trigger f value
|
| 341 |
+
rescaling. If 0, rescale at each iteration. If a large
|
| 342 |
+
value, never rescale. If < 0, rescale is set to 1.3.
|
| 343 |
+
finite_diff_rel_step : None or array_like, optional
|
| 344 |
+
If `jac in ['2-point', '3-point', 'cs']` the relative step size to
|
| 345 |
+
use for numerical approximation of the jacobian. The absolute step
|
| 346 |
+
size is computed as ``h = rel_step * sign(x) * max(1, abs(x))``,
|
| 347 |
+
possibly adjusted to fit into the bounds. For ``method='3-point'``
|
| 348 |
+
the sign of `h` is ignored. If None (default) then step is selected
|
| 349 |
+
automatically.
|
| 350 |
+
maxfun : int
|
| 351 |
+
Maximum number of function evaluations. If None, `maxfun` is
|
| 352 |
+
set to max(100, 10*len(x0)). Defaults to None.
|
| 353 |
+
"""
|
| 354 |
+
_check_unknown_options(unknown_options)
|
| 355 |
+
fmin = minfev
|
| 356 |
+
pgtol = gtol
|
| 357 |
+
|
| 358 |
+
xp = array_namespace(x0)
|
| 359 |
+
x0 = atleast_nd(x0, ndim=1, xp=xp)
|
| 360 |
+
dtype = xp.float64
|
| 361 |
+
if xp.isdtype(x0.dtype, "real floating"):
|
| 362 |
+
dtype = x0.dtype
|
| 363 |
+
x0 = xp.reshape(xp.astype(x0, dtype), -1)
|
| 364 |
+
|
| 365 |
+
n = len(x0)
|
| 366 |
+
|
| 367 |
+
if bounds is None:
|
| 368 |
+
bounds = [(None,None)] * n
|
| 369 |
+
if len(bounds) != n:
|
| 370 |
+
raise ValueError('length of x0 != length of bounds')
|
| 371 |
+
new_bounds = old_bound_to_new(bounds)
|
| 372 |
+
|
| 373 |
+
if mesg_num is not None:
|
| 374 |
+
messages = {0:MSG_NONE, 1:MSG_ITER, 2:MSG_INFO, 3:MSG_VERS,
|
| 375 |
+
4:MSG_EXIT, 5:MSG_ALL}.get(mesg_num, MSG_ALL)
|
| 376 |
+
elif disp:
|
| 377 |
+
messages = MSG_ALL
|
| 378 |
+
else:
|
| 379 |
+
messages = MSG_NONE
|
| 380 |
+
|
| 381 |
+
sf = _prepare_scalar_function(fun, x0, jac=jac, args=args, epsilon=eps,
|
| 382 |
+
finite_diff_rel_step=finite_diff_rel_step,
|
| 383 |
+
bounds=new_bounds)
|
| 384 |
+
func_and_grad = sf.fun_and_grad
|
| 385 |
+
|
| 386 |
+
"""
|
| 387 |
+
low, up : the bounds (lists of floats)
|
| 388 |
+
if low is None, the lower bounds are removed.
|
| 389 |
+
if up is None, the upper bounds are removed.
|
| 390 |
+
low and up defaults to None
|
| 391 |
+
"""
|
| 392 |
+
low = zeros(n)
|
| 393 |
+
up = zeros(n)
|
| 394 |
+
for i in range(n):
|
| 395 |
+
if bounds[i] is None:
|
| 396 |
+
l, u = -inf, inf
|
| 397 |
+
else:
|
| 398 |
+
l,u = bounds[i]
|
| 399 |
+
if l is None:
|
| 400 |
+
low[i] = -inf
|
| 401 |
+
else:
|
| 402 |
+
low[i] = l
|
| 403 |
+
if u is None:
|
| 404 |
+
up[i] = inf
|
| 405 |
+
else:
|
| 406 |
+
up[i] = u
|
| 407 |
+
|
| 408 |
+
if scale is None:
|
| 409 |
+
scale = array([])
|
| 410 |
+
|
| 411 |
+
if offset is None:
|
| 412 |
+
offset = array([])
|
| 413 |
+
|
| 414 |
+
if maxfun is None:
|
| 415 |
+
maxfun = max(100, 10*len(x0))
|
| 416 |
+
|
| 417 |
+
rc, nf, nit, x, funv, jacv = moduleTNC.tnc_minimize(
|
| 418 |
+
func_and_grad, x0, low, up, scale,
|
| 419 |
+
offset, messages, maxCGit, maxfun,
|
| 420 |
+
eta, stepmx, accuracy, fmin, ftol,
|
| 421 |
+
xtol, pgtol, rescale, callback
|
| 422 |
+
)
|
| 423 |
+
# the TNC documentation states: "On output, x, f and g may be very
|
| 424 |
+
# slightly out of sync because of scaling". Therefore re-evaluate
|
| 425 |
+
# func_and_grad so they are synced.
|
| 426 |
+
funv, jacv = func_and_grad(x)
|
| 427 |
+
|
| 428 |
+
return OptimizeResult(x=x, fun=funv, jac=jacv, nfev=sf.nfev,
|
| 429 |
+
nit=nit, status=rc, message=RCSTRINGS[rc],
|
| 430 |
+
success=(-1 < rc < 3))
|
vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__init__.py
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
"""This module contains the equality constrained SQP solver."""
|
| 2 |
+
|
| 3 |
+
|
| 4 |
+
from .minimize_trustregion_constr import _minimize_trustregion_constr
|
| 5 |
+
|
| 6 |
+
__all__ = ['_minimize_trustregion_constr']
|
vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/__init__.cpython-310.pyc
ADDED
|
Binary file (360 Bytes). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/canonical_constraint.cpython-310.pyc
ADDED
|
Binary file (12.7 kB). View file
|
|
|
vila/lib/python3.10/site-packages/scipy/optimize/_trustregion_constr/__pycache__/equality_constrained_sqp.cpython-310.pyc
ADDED
|
Binary file (4.49 kB). View file
|
|
|