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from __future__ import print_function, division import os on_rtd = os.environ.get('READTHEDOCS') == 'True' if not on_rtd: import numpy as np import pandas as pd import matplotlib.pyplot as plt from scipy.interpolate import UnivariateSpline as interpolate from scipy.integrate import quad else: np, pd, plt = (None, None, None) interpolate, quad = (None, None) from ..plotutils import setfig from ..hashutils import hashcombine, hasharray from .constraints import FunctionLowerLimit class ContrastCurve(object): """Object representing an imaging contrast curve Usually accessed via :class:`ContrastCurveFromFile` and then applied using :class:`ContrastCurveConstraint`, e.g., through :func:`StarPopulation.apply_cc`. :param rs: Angular separation from target star, in arcsec. :param dmags: Magnitude contrast. :param band: Photometric bandpass in which observation is taken. :param mag: Magnitude of central star (rarely used?) :param name: Name; e.g., "PHARO J-band", "Keck AO", etc. Should be a decent label. """ def __init__(self,rs,dmags,band,mag=None,name=None): #if band=='K' or band=="K'": # band = 'Ks' rs = np.atleast_1d(rs) dmags = np.atleast_1d(dmags) self.rs = rs self.dmags = dmags self.band = band self.mag = mag self.contrastfn = interpolate(rs,dmags,s=0) self.rmax = rs.max() self.rmin = rs.min() if name is None: self.name = '%s band' % self.band else: self.name = name def plot(self,fig=None,**kwargs): setfig(fig) plt.plot(self.rs,self.dmags,**kwargs) plt.title('%s band contrast curve' % self.band) plt.gca().invert_yaxis() plt.xlabel('Separation [arcsec]') plt.ylabel('$\Delta %s$' % self.band) def __eq__(self,other): return hash(self)==hash(other) def __ne__(self,other): return not self.__eq__(other) def __hash__(self): return hashcombine(hasharray(self.rs), hasharray(self.dmags), self.band, self.mag) def __call__(self,r): r = np.atleast_1d(r) dmags = np.atleast_1d(self.contrastfn(r)) dmags[r >= self.rmax] = self.contrastfn(self.rmax) dmags[r < self.rmin] = 0 #put something in here to "extend" beyond rmax? return dmags def __add__(self,other): if type(other) not in [type(1),type(1.),type(self)]: raise ValueError('Can only add a number or another ContrastCurve.') if type(other) in [type(1),type(1.)]: dmags = self.dmags + other return ContrastCurve(self.rs,dmags,self.band,self.mag) def __repr__(self): return '<%s: %s>' % (type(self),self.name) def power(self,floor=10,rmin=0.1,use_quad=False): if use_quad: return quad(self,rmin,self.rmax)[0]/((self.rmax-rmin)*floor) else: rs = np.linspace(rmin,self.rmax,100) return np.trapz(self(rs),rs) class ContrastCurveConstraint(FunctionLowerLimit): def __init__(self,rs,dmags,cc,name='CC',**kwargs): self.rs = rs self.dmags = dmags self.cc = cc FunctionLowerLimit.__init__(self,rs,dmags,cc,name=name,**kwargs) def __str__(self): return '%s contrast curve' % self.name def update_rs(self,rs): self.rs = rs FunctionLowerLimit.__init__(self,rs,self.dmags,self.cc,name=self.name) logging.info('%s updated with new rsky values.' % self.name) class ContrastCurveFromFile(ContrastCurve): """A contrast curve derived from a two-column file :param filename: Filename of contrast curve; first column separation in arcsec, second column delta-mag. :param band: Bandpass of imaging observation. :param mas: Set to ``True`` if separation is in milliarcsec rather than arcsec. """ def __init__(self,filename,band,mag=None, mas=False, **kwargs): rs,dmags = np.loadtxt(filename,unpack=True) if mas: #convert from milliarcsec rs /= 1000. ContrastCurve.__init__(self,rs,dmags,band,mag, **kwargs) self.filename = filename class VelocityContrastCurve(object): def __init__(self,vs,dmags,band='g'): self.vs = vs self.dmags = dmags self.band = band if np.size(vs) > 1: self.contrastfn = interpolate(vs,dmags,s=0) self.vmax = vs.max() self.vmin = vs.min() else: #simple case; one v, one dmag def cfn(v): v = np.atleast_1d(abs(v)) dmags = np.zeros(v.shape) dmags[v>=self.vs] = self.dmags dmags[v<self.vs] = 0 return dmags self.contrastfn = cfn self.vmax = self.vs self.vmin = self.vs def __call__(self,v): v = np.atleast_1d(np.absolute(v)) dmags = np.atleast_1d(self.contrastfn(v)) dmags[v >= self.vmax] = self.contrastfn(self.vmax) dmags[v < self.vmin] = 0 #put something in here to "extend" beyond vmax? return dmags class VelocityContrastCurveConstraint(FunctionLowerLimit): def __init__(self,vels,dmags,vcc,name='VCC',**kwargs): self.vels = vels self.dmags = dmags self.vcc = vcc FunctionLowerLimit.__init__(self,vels,dmags,vcc,name=name,**kwargs)
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using Logging using Random "Return a random index to be filled from the garden mask." function randomindex(mask::Matrix{Bool})::Int while true i = rand(1:length(mask)) if mask[i] return i end end end "Swap to the elements corresponding to the two provided indices." function swap!(garden::Matrix{Int}, i::Int, j::Int) t = garden[i] garden[i] = garden[j] garden[j] = t garden end "Return the neighbours to be filled of the cell at the given index." function neighbours(garden::Matrix{Int}, idx::Int)::Vector{Int} m, n = size(garden) i, j = Tuple(CartesianIndices(garden)[idx]) neighbourindices = [(i, j-1), (i, j+1), (i-1, j), (i+1, j)] # cells filled with 0 are not part of the garden [ garden[k, l] for (k, l) in neighbourindices if 0 < k <= m && 0 < l <= n && garden[k, l] != 0 ] end "Compute the cost difference when swapping the two provided indices." function deltacost(garden::Matrix{Int}, costs::Matrix{Float64}, i::Int, j::Int)::Float64 cost = 0 for k in neighbours(garden, i) cost += costs[k, garden[j]] - costs[k, garden[i]] end for k in neighbours(garden, j) cost += costs[k, garden[i]] - costs[k, garden[j]] end cost end "Compute the total cost of a garden configuration." function gardencost(garden::Matrix{Int}, mask::Matrix{Bool}, costs::Matrix{Float64})::Float64 cost = 0 for i = 1:length(mask) if mask[i] == 0 continue end for k in neighbours(garden, i) cost += costs[k, garden[i]] end end cost / 2 end "Update the garden using Metropolis-Hastings, using the inverse temperature beta." function update!( garden::Matrix{Int}, mask::Matrix{Bool}, costs::Matrix{Float64}, beta::Float64 = 5.0 ) N = length(garden) i = randomindex(mask) j = randomindex(mask) while i == j j = randomindex(mask) end d = deltacost(garden, costs, i, j) @debug "cost difference $d" if rand() < exp(- beta * d) @debug "swapping indices $i and $j" swap!(garden, i, j) return d end return 0.0 end "Fill the garden randomly with a predefined number for each plant." function fillgardenrandomly!(garden::Matrix{Int}, mask::Matrix{Bool}, plants::DataFrame) cells = vcat([repeat([plant], count) for (plant, count) in eachrow(plants)]...) # fill the remaining slots with random plants diffcount = sum(mask) - length(cells) cells = vcat(cells, rand(cells, diffcount)) garden[mask] = shuffle!(indexin(cells, plants.name)) garden end "Update the garden for a given number of steps, and return the total cost over time." function gardenevolution!(garden::Matrix{Int}, mask::Matrix{Bool}, costs::Matrix{Float64}; steps::Int = 10000, beta::Float64 = 5.0) gardencosts = [gardencost(garden, mask, costs)] for i = 1:steps update!(garden, mask, costs, beta) if mod(i, 1000) == 0 append!(gardencosts, gardencost(garden, mask, costs)) end end gardencosts end
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exp(π) - π # Solve x^2 + 5x + 6 = 0 using the quadratic formula (real arithmetics) # Coefficients a,b,c in ax^2 + bx + c = 0 a = 1 b = 5 c = 6 # The quadratic formula d = sqrt(b^2 - 4*a*c) r1 = (-b - d) / 2a r2 = (-b + d) / 2a println("The roots are ", r1, " and ", r2) function myfunc(x,y) x + y end myfunc(1,2) myfunc2(x,y) = x + 2y myfunc2(3,5) myfunc3 = (x,y) -> x + 3y myfunc3(3,5) # Same thing without giving the function a name: ((x,y) -> x + 3y)(3,5) function mynewfunc(x,y) out1 = x + y out2 = out1 * (2x + y) out1, out2 end y1, y2 = mynewfunc(2,1) function real_roots_of_quadratic(a,b,c) # Compute the real roots of the quadratic ax^2 + bx + c = 0 d = sqrt(b^2 - 4*a*c) r1 = (-b - d) / 2a r2 = (-b + d) / 2a r1, r2 end real_roots_of_quadratic(1, 5, 6) real_roots_of_quadratic(-1, 5, 6)
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[STATEMENT] lemma PiE_eq_iff: "Pi\<^sub>E I F = Pi\<^sub>E I F' \<longleftrightarrow> (\<forall>i\<in>I. F i = F' i) \<or> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))" [PROOF STATE] proof (prove) goal (1 subgoal): 1. (Pi\<^sub>E I F = Pi\<^sub>E I F') = ((\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})) [PROOF STEP] proof (intro iffI disjCI) [PROOF STATE] proof (state) goal (2 subgoals): 1. \<lbrakk>Pi\<^sub>E I F = Pi\<^sub>E I F'; \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))\<rbrakk> \<Longrightarrow> \<forall>i\<in>I. F i = F' i 2. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] assume eq[simp]: "Pi\<^sub>E I F = Pi\<^sub>E I F'" [PROOF STATE] proof (state) this: Pi\<^sub>E I F = Pi\<^sub>E I F' goal (2 subgoals): 1. \<lbrakk>Pi\<^sub>E I F = Pi\<^sub>E I F'; \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))\<rbrakk> \<Longrightarrow> \<forall>i\<in>I. F i = F' i 2. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] assume "\<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))" [PROOF STATE] proof (state) this: \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})) goal (2 subgoals): 1. \<lbrakk>Pi\<^sub>E I F = Pi\<^sub>E I F'; \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))\<rbrakk> \<Longrightarrow> \<forall>i\<in>I. F i = F' i 2. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] then [PROOF STATE] proof (chain) picking this: \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})) [PROOF STEP] have "(\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {})" [PROOF STATE] proof (prove) using this: \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})) goal (1 subgoal): 1. (\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {}) [PROOF STEP] using PiE_eq_empty_iff[of I F] PiE_eq_empty_iff[of I F'] [PROOF STATE] proof (prove) using this: \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})) (Pi\<^sub>E I F = {}) = (\<exists>i\<in>I. F i = {}) (Pi\<^sub>E I F' = {}) = (\<exists>i\<in>I. F' i = {}) goal (1 subgoal): 1. (\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {}) [PROOF STEP] by auto [PROOF STATE] proof (state) this: (\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {}) goal (2 subgoals): 1. \<lbrakk>Pi\<^sub>E I F = Pi\<^sub>E I F'; \<not> ((\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}))\<rbrakk> \<Longrightarrow> \<forall>i\<in>I. F i = F' i 2. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] with PiE_eq_iff_not_empty[of I F F'] [PROOF STATE] proof (chain) picking this: \<lbrakk>\<And>i. i \<in> I \<Longrightarrow> F i \<noteq> {}; \<And>i. i \<in> I \<Longrightarrow> F' i \<noteq> {}\<rbrakk> \<Longrightarrow> (Pi\<^sub>E I F = Pi\<^sub>E I F') = (\<forall>i\<in>I. F i = F' i) (\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {}) [PROOF STEP] show "\<forall>i\<in>I. F i = F' i" [PROOF STATE] proof (prove) using this: \<lbrakk>\<And>i. i \<in> I \<Longrightarrow> F i \<noteq> {}; \<And>i. i \<in> I \<Longrightarrow> F' i \<noteq> {}\<rbrakk> \<Longrightarrow> (Pi\<^sub>E I F = Pi\<^sub>E I F') = (\<forall>i\<in>I. F i = F' i) (\<forall>i\<in>I. F i \<noteq> {}) \<and> (\<forall>i\<in>I. F' i \<noteq> {}) goal (1 subgoal): 1. \<forall>i\<in>I. F i = F' i [PROOF STEP] by auto [PROOF STATE] proof (state) this: \<forall>i\<in>I. F i = F' i goal (1 subgoal): 1. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] next [PROOF STATE] proof (state) goal (1 subgoal): 1. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] assume "(\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {})" [PROOF STATE] proof (state) this: (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) goal (1 subgoal): 1. (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) \<Longrightarrow> Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] then [PROOF STATE] proof (chain) picking this: (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) [PROOF STEP] show "Pi\<^sub>E I F = Pi\<^sub>E I F'" [PROOF STATE] proof (prove) using this: (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) goal (1 subgoal): 1. Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] using PiE_eq_empty_iff[of I F] PiE_eq_empty_iff[of I F'] [PROOF STATE] proof (prove) using this: (\<forall>i\<in>I. F i = F' i) \<or> (\<exists>i\<in>I. F i = {}) \<and> (\<exists>i\<in>I. F' i = {}) (Pi\<^sub>E I F = {}) = (\<exists>i\<in>I. F i = {}) (Pi\<^sub>E I F' = {}) = (\<exists>i\<in>I. F' i = {}) goal (1 subgoal): 1. Pi\<^sub>E I F = Pi\<^sub>E I F' [PROOF STEP] by (auto simp: PiE_def) [PROOF STATE] proof (state) this: Pi\<^sub>E I F = Pi\<^sub>E I F' goal: No subgoals! [PROOF STEP] qed
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import numpy as np import pytest from pytest import approx from desdeov2.problem.Constraint import ( ConstraintError, ScalarConstraint, constraint_function_factory, ) @pytest.fixture def objective_vector_1(): return np.array([1.0, 5.0, 10.0]) @pytest.fixture def decision_vector_1(): return np.array([-1.0, 10.0, 5.0, -3.5]) @pytest.fixture def equal_constraint(): def constraint(decision_vector, objective_vector): x = decision_vector y = objective_vector h = 50 # Must equal this res = h - (x[1] * y[2] - x[2] * y[1]) # An equality constraint is true only when res equals zero return -abs(res) return constraint @pytest.fixture def lt_constraint(): def constraint(decision_vector, objective_vector): x = decision_vector y = objective_vector lt = 13.5 # Must be less than this res = lt - (x[0] * x[2] + y[2] + y[1]) return res return constraint @pytest.fixture def gt_constraint(): def constraint(decision_vector, objective_vector): x = decision_vector y = objective_vector gt = -5.5 # Must be greater than this res = ((y[0] * y[2]) / (x[1] * x[2] * x[3])) - gt return res return constraint @pytest.fixture def simple_constraint_factory(decision_vector_1, objective_vector_1): def factory(constraint): return ScalarConstraint( "test", len(decision_vector_1), len(objective_vector_1), constraint ) return factory def test_init(decision_vector_1, objective_vector_1, equal_constraint): name = "test" cons = ScalarConstraint( name, len(decision_vector_1), len(objective_vector_1), equal_constraint ) assert cons.name == "test" assert cons.n_decision_vars == len(decision_vector_1) assert cons.n_objective_funs == len(objective_vector_1) res1 = equal_constraint(decision_vector_1, objective_vector_1) res2 = cons.evaluator(decision_vector_1, objective_vector_1) assert res1 == approx(res2) def test_equal_cons( simple_constraint_factory, equal_constraint, decision_vector_1, objective_vector_1, ): cons = simple_constraint_factory(equal_constraint) res = cons.evaluate(decision_vector_1, objective_vector_1) assert res == approx(-25.0) def test_gt_cons( simple_constraint_factory, gt_constraint, decision_vector_1, objective_vector_1, ): cons = simple_constraint_factory(gt_constraint) res = cons.evaluate(decision_vector_1, objective_vector_1) assert res == approx(5.442857142857143) def test_lt_cons( simple_constraint_factory, lt_constraint, decision_vector_1, objective_vector_1, ): cons = simple_constraint_factory(lt_constraint) res = cons.evaluate(decision_vector_1, objective_vector_1) assert res == approx(3.5) def test_bad_evaluate_call( simple_constraint_factory, equal_constraint, decision_vector_1, objective_vector_1, ): cons = simple_constraint_factory(equal_constraint) # Too few decision variables with pytest.raises(ConstraintError): cons.evaluate(decision_vector_1[1:], objective_vector_1) # Too few objective function values with pytest.raises(ConstraintError): cons.evaluate(decision_vector_1, objective_vector_1[1:]) # Too many decision variables with pytest.raises(ConstraintError): cons.evaluate(np.ones(10), objective_vector_1) # Too many objective function values with pytest.raises(ConstraintError): cons.evaluate(decision_vector_1, np.ones(10)) def test_constraint_function_factory_equal(): cons = constraint_function_factory( lambda x, y: x[0] + x[1] + y[0] + y[1], 10.0, "==" ) decision_vector = np.array([2.5, 7.5]) objective_vector = np.array([-7.1, 10.2]) res = cons(decision_vector, objective_vector) assert res == approx(-3.1) def test_constraint_function_factory_lt(): cons = constraint_function_factory( lambda x, y: x[0] + x[1] + y[0] + y[1], 5.0, "<" ) decision_vector = np.array([2.5, 7.5]) objective_vector = np.array([-7.1, 10.2]) res = cons(decision_vector, objective_vector) assert res == approx(-8.1) def test_constraint_function_factory_gt(): cons = constraint_function_factory( lambda x, y: x[0] + x[1] + y[0] + y[1], 9.5, ">" ) decision_vector = np.array([2.5, 7.5]) objective_vector = np.array([-7.1, 10.2]) res = cons(decision_vector, objective_vector) assert res == approx(3.6) def test_constraint_function_factory_bad_operator(): with pytest.raises(ValueError): constraint_function_factory(lambda x: x[0] + x[1], 9.5, "x")
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""" scc(di_ei, di_ej, scc_init::SCCInit) Compute to which strongly connected component each vertex belongs. `di_ei` and `di_ej` describe the edges such that the k-th component of di_ei and k-th component of `di_ej` form an edge i.e `di_ei = [1, 1, 2]` and `di_ej = [3, 4, 3]` => those three edges (1, 3), (1, 4), (2, 3) `di_ei` must be sorted asc to make this function work. The last argument is a `SCCInit` struct which itself provides the memory for the functionality. This speeds up the process as no new memory needs to be allocated. """ function scc(di_ei, di_ej, scc_init::SCCInit) len = length(di_ei) index_ei = scc_init.index_ei n = length(index_ei) - 1 # compute the starting index for each vertex # bascially knowing where to start/end when looking for neighbors last = di_ei[1] prev_last = 1 c = 2 last_i = 0 @inbounds for i in 2:len di_ei[i] == 0 && break if di_ei[i] > last j = last index_ei[(last + 1):di_ei[i]] .= c last = di_ei[i] end c += 1 last_i = i end index_ei[(di_ei[last_i] + 1):end] .= c index_ei[1] = 1 id = 0 sccCount = 0 ids = scc_init.ids low = scc_init.low on_stack = scc_init.on_stack group_id = scc_init.group_id ids .= -1 low .= 0 on_stack .= false stack = Int[] group_id .= 0 c_group_id = 1 # start dfs from each vertex if unconnected graph @inbounds for s in 1:n ids[s] != -1 && continue # if visited already continue dfs_work = Vector{Tuple{Int,Int}}() # the 0 in dfs_work represents whether it's the first time calling that vertex push!(dfs_work, (s, 0)) dfs_stack = Int[] while !isempty(dfs_work) at, i = pop!(dfs_work) if i == 0 on_stack[at] = true id += 1 ids[at] = id low[at] = id push!(dfs_stack, at) end recurse = false # only works because `di_ei` is sorted for j in (index_ei[at] + i):(index_ei[at + 1] - 1) to = di_ej[j] # println("$to is successor of $at") if ids[to] == -1 push!(dfs_work, (at, j - index_ei[at] + 1)) push!(dfs_work, (to, 0)) recurse = true break elseif on_stack[to] low[at] = min(low[at], ids[to]) end end recurse && continue # if at is the representative of the group if ids[at] == low[at] # take from stack as long as the representative doesn't appear # and put all of them in the same scc while true w = pop!(dfs_stack) on_stack[w] = false group_id[w] = c_group_id w == at && break end c_group_id += 1 end if !isempty(dfs_work) w = at at, _ = dfs_work[end] low[at] = min(low[at], low[w]) end end end return group_id end
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# Author - K.G. Abeywardena # Date - 29/01/2020 import sys import numpy as np import matplotlib.pyplot as plt from scipy.linalg import eigh import matplotlib plt.style.use('classic') #Function for creating the Hamiltonian matrix def Hamiltonian(N, dx, potential, h_bar, mass): """ This fucntion creates the Hamiltoninan matrix that is required to calculate the numerical solution for the Schrodinger's 1-D Wave Equation for a given 1-D potential curve Inputs: N : Number of data points to consider dx : Differnce between two consequetive x values potential : Potential function h_bar : -(m*)/(2h) where m* = equivalent mass and h = plank constant mass : Mass of the particle Outputs: norm vectors : Normalized eigen vectors of the Hamiltonian Matrix eigen energy : Eigen Values of the Hamiltonian Matrix probability : Probability Density Distribution """ Laplacian = (-2*np.diag(np.ones((N)),0) + np.diag(np.ones((N-1)),1) + np.diag(np.ones((N-1)),-1))/(dx**2) H = -(h_bar**2/(2*mass))*Laplacian + np.diag(potential) eigen_energy, eigen_vectors = eigh(H) probability = np.abs(eigen_vectors)**2 K = np.sum(probability, axis=0)*dx norm_vectors = eigen_vectors/np.sqrt(K) #Normalizing the eigen vectors probability /= K #Normalizing the PDFs return norm_vectors, eigen_energy, probability #Plotting Functions def plotWavefunc(x, potential, num_states, wave_vects, energy, func_name): """ This function is for the visualization of the Potential Energy Functions and Corresponding Wave Functions which are the solutions of to the wave equation. Inputs: x : Data points potential : Potential Energy Function num_states : Number of energy primary states wave_vects : Wave function - as a set of vectors energy : Energy values of each state func_name : Function name of potential energy curve Outputs: None """ plt.figure('WaveFunc') Labels = [] for i in range(num_states-1, -1, -1): plt.plot(x, wave_vects[:,i] + energy[i]) Labels.append('E = {:10.4f}eV'.format(energy[i])) Labels.append('Potential Energy Function') if 'Linear' in func_name: plt.plot(x, np.transpose(potential)*max(max(energy[:num_states+1]), max(potential))/max(potential+10**-40), 'k--') else: plt.plot(x, np.transpose(potential)*min(max(energy[:num_states+1]), max(potential))/max(potential+10**-40), 'k--') plt.xlabel('Distance (x)', fontdict={'weight': 'bold', 'size': 16, 'color': 'black'}) plt.ylabel('Energy (eV)', fontdict={'weight': 'bold', 'size': 16, 'color': 'black'}) plt.legend(Labels, loc='upper right', fontsize = 'medium') plt.title(f'Wave Functions for {func_name}', fontdict={'weight': 'bold', 'size': 18, 'color': 'black'}) plt.grid(b=True) plt.autoscale(tight=True, axis='both') plt.savefig(f'wavePlot-{func_name}.png') plt.autoscale(tight=True) plt.close('all') return def plotProbfunc(x, potential, num_states, prob_vects, energy, func_name): """ This function is for the visualization of the Potential Energy Functions and Corresponding PDFs which are the solutions of to the wave equation. Inputs: x : Data points potential : Potential Energy Function num_states : Number of energy primary states prob_vects : PDF of each wave - as a set of vectors energy : Energy values of each state func_name : Function name of potential energy curve Outputs: None """ plt.figure('PDF') Labels = [] for i in range(num_states-1, -1, -1): plt.plot(x, prob_vects[:,i] + energy[i]) Labels.append('E = {:10.4f}eV'.format(energy[i])) Labels.append('Potential Energy Function') if 'Linear' in func_name: plt.plot(x, np.transpose(potential)*max(max(energy[:num_states+1]), max(potential))/max(potential+10**-40), 'k--') else: plt.plot(x, np.transpose(potential)*min(max(energy[:num_states+1]), max(potential))/max(potential+10**-40), 'k--') plt.xlabel('Distance (x)', fontdict={'weight': 'bold', 'size': 16, 'color': 'black'}) plt.ylabel('Energy (eV)', fontdict={'weight': 'bold', 'size': 16, 'color': 'black'}) plt.legend(Labels, loc='upper right', fontsize = 'medium') plt.title(f'PDF for {func_name}', fontdict={'weight': 'bold', 'size': 16, 'color': 'black'}) plt.grid(b=True) plt.autoscale(tight=True, axis='both') plt.savefig(f'probPlot-{func_name}.png') plt.autoscale(tight=True) plt.close('all') return #Potential Enegery Functions def FreeParticle(N, dx, h_bar, mass, x, n_states): V_x = np.zeros((N)) wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Free-Particle') plotProbfunc(x, V_x, n_states, prob, energy, 'Free-Particle') return def infiniteWell(N, dx, h_bar, mass, x, n_states): n = np.floor(N/3).astype('int32') V_x = np.ones((N)) * 2000 V_x[n:2*n] = 0 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Near Infinte Potential Well') plotProbfunc(x, V_x, n_states, prob, energy, 'Near Infinte Potential Well') return def finiteWell(N, dx, h_bar, mass, x, n_states): n = np.floor(N/3).astype('int32') V_x = np.ones((N)) * 10 V_x[n:2*n] = 0 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Finte Potential Well') plotProbfunc(x, V_x, n_states, prob, energy, 'Finte Potential Well') return def linearfunc(N, dx, h_bar, mass, x, n_states): V_x = x wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Linear Potential Function') plotProbfunc(x, V_x, n_states, prob, energy, 'Linear Potential Function') return def HarmonicOcilator(N, dx, h_bar, mass, x, n_states): V_x = x**2 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Harmonic Ocillator Potential Function') plotProbfunc(x, V_x, n_states, prob, energy, 'Harmonic Ocillator Potential Function') return def StepBarrier(N, dx, h_bar, mass, x, n_states): V_x = np.zeros((N)) V_x[N//2:] += 10 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Step Potential Function') plotProbfunc(x, V_x, n_states, prob, energy, 'Step Potential Function') return def Triangular(N, dx, h_bar, mass, x, n_states): n = np.floor(N/3).astype('int32') V_x = np.ones((N)) * 100 V_x[n:2*n] = x[n:2*n]*40 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Triangular Potential Function') plotProbfunc(x, V_x, n_states, prob, energy, 'Traingular Potential Function') return def CustomBarrier(N, dx, h_bar, mass, x, n_states): n = np.floor(N/20).astype('int32') V_x = np.zeros((N)) V_x[n*10:n*11] = 5 wave_vec, energy, prob = Hamiltonian(N,dx, V_x, h_bar, mass) plotWavefunc(x, V_x, n_states, wave_vec, energy, 'Custom Potential Function') plotProbfunc(x, V_x, n_states, prob, energy, 'Custom Potential Function') return if __name__ == '__main__': if len(sys.argv) < 4: print('| python file | x limit (L) | number of points (N)| number of eigen states |') else: xLimit = int(sys.argv[1]) #user input for x-co-ordinate limit N = int(sys.argv[2]) #user input for the number of samples eigen_states = int(sys.argv[3]) #user input for the number of eigen states to look at print('Enter- 0:Free particle | 1: Near infinite well | 2: Finite well | 3: Linear | 4: Harmonic Oscillator | 5: Step Barrier | 6: Triangular | 7: Custom Barrier') try: potential_func = int(input('Enter the potential function number (0-7):')) #user input for type of potential energy except: print('Enter- 0:Free particle | 1: Near infinite well | 2: Finite well | 3: Linear | 4: Harmonic Oscillator | 5: Step Barrier | 6: Triangular | 7: Custom Barrier') x = np.linspace(-xLimit, xLimit, N) dx = x[1] - x[0] h_bar = 1 mass = 1 plt.rcParams['figure.figsize'] = (10,8) plt.rc('legend', fontsize=12) plt.rcParams['legend.frameon'] = True if potential_func == 0: FreeParticle(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 1: infiniteWell(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 2: finiteWell(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 3: linearfunc(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 4: HarmonicOcilator(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 5: StepBarrier(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 6: Triangular(N, dx, h_bar, mass, x, eigen_states ) elif potential_func == 7: CustomBarrier(N, dx, h_bar, mass, x, eigen_states) else: print('Invalida input')
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# coding: utf-8 # Copyright (c) 2021 AkaiKKRteam. # Distributed under the terms of the Apache License, Version 2.0. import shutil from pymatgen.core.sites import PeriodicSite from pymatgen.core import Structure from pymatgen.analysis.structure_matcher import StructureMatcher import json from pymatgen.symmetry.analyzer import SpacegroupAnalyzer from pymatgen.io.cif import CifParser import sys import subprocess import hashlib import os import numpy as np import matplotlib.pyplot as plt from .descriptor.RDF import RDFConverter """ requires spglib >=1.16.2 pymatgen >=2022.0.14 """ sys.path.append("/home/kino/tmp/AkaiKKRPythonUtil/util") if "test_script" not in sys.modules: from pyakaikkr import AkaikkrJob from pyakaikkr.Error import * from pyakaikkr import StructureSpeciesConverter def _make_displc(anclr, displc=[0, 0, 0]): displc_list = [] for anclr1 in anclr: displc1_list = [] for z in anclr1: displc1_list.append(displc) displc_list.append(displc1_list) return displc_list def _run_it(specx, ciffile, directory, structurefile="structure.json", displc=False, use_bravais=True, fmt="cif", inputcard="inputcard_geom", outputcard="out_geom.log"): """make inputcard from ciffile and run specx Args: specx (str): specx path ciffile (str): cif filename directory (str): directory to write inputcard and execute specx structurefile (str): json structure file. Defaults to "structure.json" displc (bool, optional): add displc in param or not. Defaults to False. use_bravis (bool, optional): use bravais lattice, Defaults to True. fmt (bool, optional): ciffile format. Defaults to "cif". inputcard (str, optional): inputcard filename. Defaults to "inputcard_go". outputcard (str, optional): ouptutcard filename. Defaults to "out_go.log". Raises: CIF2KKRNoStructureError: failed to read structure KKRFailedExecutionError: failed to run specx, self.return_code is also made. Returns: bool: success or failed """ os.makedirs(directory, exist_ok=True) meta = {"ciffile": ciffile, "directory": directory} filepath = os.path.join(directory, "meta.json") with open(filepath, "w") as f: json.dump(meta, f) job = AkaikkrJob(directory) param = job.default param["maxitr"] = 0 # stop after showing structures struc_param = None # first read as primitive. if it fails, read as conventional try: struc_param = job.read_structure( ciffile, use_bravais=use_bravais, cif_primitive=True, fmt=fmt) except CIF2KKRSpgDifferentError as err: print(err) print("WARNING: read structure again by cif_primitive=False") struc_param = job.read_structure( ciffile, use_bravais=use_bravais, cif_primitive=False, fmt=fmt) except CIF2KKRNsiteInconsistentError as err: print(err) print("WARNING: primitive and kkr nsite are inconsistent") try: struc_param = job.read_structure( ciffile, use_bravais=use_bravais, cif_primitive=False, fmt=fmt) except CIF2KKRNsiteInconsistentError as err: print(err) print("WARNING: primitive and kkr nsite are inconsistent") # possibility CIF2KKRNsiteInconsistentError occurs if struc_param is None: raise CIF2KKRNoStructureError("no structure is read") structurepath = os.path.join(directory, structurefile) with open(structurepath, "w") as f: json.dump(struc_param, f) print("save to", structurepath) param.update(struc_param) if displc: displc_param = {"displc": _make_displc( param["anclr"], displc=[0, 0, 0])} param.update(displc_param) param.update({"go": "geom"}) job.make_inputcard(param, inputcard) print("saved to", os.path.join(directory, inputcard)) if True: job.run(specx, inputcard, outputcard) else: cmd = f"cd {directory}; {specx} < {inputcard} > {outputcard}" ret = subprocess.call(cmd, shell=True) if ret != 0: raise KKRFailedExecutionError("return_code={}".format(ret)) stoppped_by_errtrp = job.check_stopped_by_errtrp(outputcard) if stoppped_by_errtrp: raise KKRFailedExecutionError("stopped by errtrp") return struc_param def _read_output(directory: str, outputcard: str) -> Structure: """read outputcar in directory Args: directory (str): directory of job outputcard (str): outputcard filename Returns: pymatgen.core.Structure: structure """ akaikkr = AkaikkrJob(directory) struc = akaikkr.make_pymatgenstructure(outputcard) return struc if False: def make_rdf(structure: Structure, rcut=4.0) -> np.ndarray: """make radial distribution function Args: structure (pymatgen.core.structure): struture rcut (float, optional): cut off distance. Defaults to 4.0. Returns: np.ndarray: radial distribution function """ nndistance = [] for site in structure.sites: neighbor = structure.get_neighbors(site, r=rcut) for nn in neighbor: # nndistance.append(round(nn[1], nround)) nndistance.append(nn[1]) nndistance = np.array(nndistance) nndistance.sort() return nndistance def show_equiv_matrix(prim_struc: Structure, input_analyzer: StructureMatcher) -> np.ndarray: """show qeuivalenet matrix Args: prim_struc (pymatgen.core.Structure): structure input_analyzer (pymatgen.analysis.structure_matcher.StructureMatcher): structure matcher Returns: np.ndarray: equivalenet matrix of sites by spacegroup operations """ print("lattice", prim_struc.lattice) print("sites", prim_struc.sites) print("specis", prim_struc.species) species = prim_struc.species print("species", species) ops = input_analyzer.get_space_group_operations() print(ops) n = len(prim_struc.sites) # equiv_matrix = np.full((n, n), False) equiv_matrix = np.identity(n, dtype=bool) for i1 in range(n): for i2 in range(i1, n): site1 = PeriodicSite( species=species[i1], coords=prim_struc.sites[i1].frac_coords, lattice=prim_struc.lattice) site2 = PeriodicSite( species=species[i2], coords=prim_struc.sites[i2].frac_coords, lattice=prim_struc.lattice) eq = ops.are_symmetrically_equivalent([site1], [site2]) equiv_matrix[i1, i2] = eq for i1 in range(n): for i2 in range(i1, n): equiv_matrix[i2, i1] = equiv_matrix[i1, i2] print(equiv_matrix) return equiv_matrix def _make_both_rdf(input_rdf: np.ndarray, output_rdf: np.ndarray, bins: int) -> (np.ndarray, np.ndarray, np.ndarray, np.ndarray): """[summary] Args: input_rdf (np.ndarray): input RDF output_rdf (np.ndarray): output RDF bins (int): number of bins Returns: np.ndarray: input histogram np.ndarray: output histogram np.ndarray: input histogram bin edges np.ndarray: output histogram bin edges """ if False: xmin = np.min([np.min(input_rdf), np.min(output_rdf)]) xmax = np.max([np.max(input_rdf), np.max(output_rdf)]) xrange = (xmin, xmax) else: xrange = [] for op in [np.min, np.max]: xrange.append(op([op(input_rdf), op(output_rdf)])) input_hist, input_edges = np.histogram( input_rdf, bins=bins, range=xrange) output_hist, outputput_edges = np.histogram( input_rdf, bins=bins, range=xrange) return input_hist, output_hist, input_edges, outputput_edges def _plot_rdf(input_rdf, output_rdf, directory, bins=200): """plot input and output RDF Args: input_rdf (nd.array): input RDF output_rdf (nd.array): output RDF directory (str): directory to save png bins (int, optional): number of bins. Defaults to 200. """ if True: input_hist, output_hist, input_binedges, output_binedges = _make_both_rdf( input_rdf, output_rdf, bins) input_bin = (input_binedges[:-1] + input_binedges[1:])*0.5 output_bin = (output_binedges[:-1] + output_binedges[1:])*0.5 width = input_bin[1]-input_bin[0] fig, axes = plt.subplots(3, 1) ax = axes[0] ax.bar(input_bin, input_hist, width=width, color="blue") ax.set_title("cif (pymatgen)") ax = axes[1] ax.bar(output_bin, output_hist, width=width, color="blue") ax.set_title("kkr output") ax = axes[2] ax.axhline(0, linestyle="--") ax.bar(input_bin, output_hist-input_hist, width=width,) ax.set_xlabel("distance") ax.set_title("difference") else: fig, axes = plt.subplots(3, 1) ax = axes[0] ax.hist(input_rdf, color="blue", bins=bins) ax.set_title("cif (pymatgen)") ax = axes[1] ax.hist(output_rdf, color="red", bins=bins) ax.set_title("kkr output") ax = axes[2] ax.hist(input_rdf, alpha=0.5, color="blue", bins=bins) ax.hist(output_rdf, alpha=0.5, color="red", bins=bins) ax.set_xlabel("distance") ax.set_title("both") fig.tight_layout() filename = os.path.join(directory, "rdf.png") fig.savefig(filename) print("saved to", filename) fig.clf() plt.close(fig) def _rdf_diff_is_zero(input_rdf, output_rdf, output_msg=False, bins=200): """whether the difference of RDF is zero or not Args: input_rdf (np.ndarray): input RDF output_rdf (np.ndarray): output RDF output_msg (str, optional): returns output message or bool. Defaults to False. bins (int, optional): number of bins. Defaults to 200. Returns: [type]: [description] """ input_hist, output_hist, input_binedges, output_binedges = _make_both_rdf( input_rdf, output_rdf, bins) msg = [] s = "rdf difference, bins= {}".format(bins) print(s) msg.append(s) diff = output_hist-input_hist print("_rdf_diff_is_zero", diff) msg.append(str(diff)) if output_msg: return msg else: res = np.all(diff == 0) print("np.all(diff == 0)", res) return res class CompareCifKkr: SUCCESS = "success" FAILED = "failed" NO_STRUCTURE = "no_structure" NO_ELEMENT = "unknown_element_in_input_file" FAILED_TO_GET_SPG_INFO = "failed_to_get_spginfo" FAILED_TO_RUN_SPECX = "failed_to_run_specx" NO_SPG_MATCH = "spg_not_match" def __init__(self, ciffile: str, specx: str, displc: bool = False, fmt: str = "cif", parent_directory: str = "output", inputcard: str = "inputcard_geom", outputcard: str = "out_geom.log", Vc: str = "Og", structurefile: str = "structure.json"): """Constructure Args: ciffile (str): a cif file specx (str): akaikkr program displc (bool, optional): include displc field or not. Defaults to False. fmt (str, optional): format of the cif file. Defaults to "cif". inputcard (str, optional): inputcard name. Defaults to "inputcard_geom". outputcard (str, optional): outputcard name. Defaults to "out_geom.log". Vc (str, optional): element treated as Z=0. Defaults to "Og". structurefile (str, optional): structure json file. Defaults to "structure.json". """ self.ciffile = ciffile self.specx = specx self.displc = displc self.fmt = fmt self.Vc = Vc self.structurefile = structurefile self.inputcard = inputcard self.outputcard = outputcard self.all_done = False self.parent_directory = parent_directory hashstr = hashlib.md5(ciffile.encode()).hexdigest() self.directory = hashstr path = os.path.join(self.parent_directory, self.directory) os.makedirs(path, exist_ok=True) self.input_struc = None self.prim_stand_struc = None self.kkr_struc = None self.struc_param = None def matchedflag2msg(self, flag): """convert True|False to string message Args: flag (bool): structure is the same or not Returns: str: string message """ if flag: return self.SUCCESS else: return self.FAILED def input_struc_to(self, fmt="cif", filename="input.cif"): filepath = os.path.join(self.parent_directory, self.directory, filename) print("input_struc_to filepath", filepath) try: self.prim_stand_struc.to(fmt=fmt, filename=filepath) except IndexError: print(f"failed to write {filepath}\n" "probably because of uknown element.\nbut continue.") def output_struc_to(self, fmt="cif", filename="output.cif"): filepath = os.path.join(self.parent_directory, self.directory, filename) try: self.kkr_struc.to(fmt=fmt, filename=filepath) except IndexError: print(f"failed to write {filepath}\n" "probably because of uknown element.\nbut continue.") def convert_and_compare(self, use_bravais=True, scale=False): """scale should be False Args: use_bravais (bool, optional): use bravais lattice. Defaults to True. scale (bool, optional): scale flag of StructureMatcher. Defaults to True. Raises: ValueError: [description] Returns: [type]: [description] """ if self.fmt == "cif": try: parser = CifParser(self.ciffile) except AssertionError: self.msg = self.NO_STRUCTURE return self.NO_STRUCTURE try: self.conv_struc = parser.get_structures(primitive=False)[0] except ValueError: self.msg = self.NO_STRUCTURE return self.NO_STRUCTURE self.input_struc = self.conv_struc try: self.prim_struc = parser.get_structures(primitive=True)[0] except ValueError: self.msg = self.NO_STRUCTURE return self.NO_STRUCTURE self.input_struc = self.prim_struc elif self.fmt == "vasp" or self.fmt == "poscar": try: self.prim_struc = Structure.from_file(self.ciffile) except ValueError: self.msg = self.NO_STRUCTURE return self.NO_STRUCTURE self.conv_struc = self.prim_struc # dummy self.input_struc = self.prim_struc self.conv_struc_spg_info = None try: self.conv_struc_spg_info = self.conv_struc.get_space_group_info() except TypeError: self.msg = "failed to get spginfo of conventional structure" return self.FAILED_TO_GET_SPG_INFO if self.conv_struc_spg_info is not None: print("get_structures(primitive=False), symmetry, nsite", self.conv_struc_spg_info, len(self.conv_struc.sites)) self.prim_struc_spg_info = None try: self.prim_struc_spg_info = self.prim_struc.get_space_group_info() except TypeError: self.msg = "failed to get spginfo of primitive structure" return self.FAILED_TO_GET_SPG_INFO if self.prim_struc_spg_info is not None: print("get_structures(primitive=True), symmetry, nsite", self.prim_struc_spg_info, len(self.prim_struc.sites)) analyzer = SpacegroupAnalyzer(self.conv_struc) try: self.prim_stand_struc = analyzer.get_primitive_standard_structure() except AttributeError as err: self.msg = "failed to use SpacegroupAnalyzer. Probably it is an alloy." print(self.msg) self.prim_stand_struc = None if self.prim_stand_struc is None: # try StructureSpeciesConverter structurespeciesconverter = StructureSpeciesConverter( self.conv_struc) substitutedstructure = structurespeciesconverter.structure analyzer = SpacegroupAnalyzer( substitutedstructure) cs_structure = analyzer.get_primitive_standard_structure() converted_structure = structurespeciesconverter.inverse_conversion( cs_structure) self.prim_stand_struc = converted_structure # delete local variables del substitutedstructure del cs_structure del analyzer self.prim_stand_struc_spg_info = self.prim_stand_struc.get_space_group_info() print("prim_stand_struc, symmetry, nsite", self.prim_stand_struc.get_space_group_info(), len(self.prim_stand_struc.sites)) # use prim_stand_struc self.input_struc = self.prim_stand_struc self.input_struc_spg_info = self.prim_stand_struc_spg_info # @property self.input_struc = self.prim_stand_struc if self.input_struc is not None: self.input_struc_to() if self.input_struc: inputcard = self.inputcard outputcard = self.outputcard try: self.struc_param = _run_it(self.specx, self.ciffile, directory=os.path.join( self.parent_directory, self.directory), structurefile=self.structurefile, displc=self.displc, use_bravais=use_bravais, fmt=self.fmt, inputcard=inputcard, outputcard=outputcard) except CIF2KKRGetStructureError as err: self.msg = str(err) return self.NO_STRUCTURE except CIF2KKRGetConventionalStandardStructureError as err: self.msg = str(err) return self.FAILED except CIF2KKRSpgDifferentError as err: self.msg = str(err) return self.FAILED except CIF2KKRCellShapeError as err: self.msg = str(err) return self.FAILED except CIF2KKRUnknownElementError as err: self.msg = str(err) return self.NO_ELEMENT except CIF2KKRNoStructureError as err: self.msg = str(err) return self.NO_STRUCTURE except KKRFailedExecutionError as err: self.msg = str(err) return self.FAILED_TO_RUN_SPECX try: self.kkr_struc = _read_output(os.path.join( self.parent_directory, self.directory), outputcard) except ValueError: self.msg = self.NO_ELEMENT return self.NO_ELEMENT if self.kkr_struc: self.output_struc_to() else: self.msg = self.NO_STRUCTURE return self.NO_STRUCTURE self.kkr_struc_spg_info = self.kkr_struc.get_space_group_info() print("kkr_struc, symmetry, nsite", self.kkr_struc_spg_info, len(self.kkr_struc.sites)) if self.input_struc and self.kkr_struc: matcher = StructureMatcher(scale=scale) mathced = False try: self.kkr_struc_spg_info = self.kkr_struc_spg_info except TypeError: print( "failed to get space group symbol of structure. but continue.") raise TypeError print("kkr space group symbol, nsite", self.kkr_struc_spg_info[1], len(self.kkr_struc.sites)) input_struc = self.input_struc kkr_struc = self.kkr_struc print("input prim structure num_site", input_struc.num_sites) print("kkr prim structure num_site", kkr_struc.num_sites) # compare by size if len(input_struc.sites) != len(kkr_struc.sites): self.msg = "# of sites are different. skip showing diff of min_dist_matrix" matched = False return self.matchedflag2msg(matched) matched = matcher.fit(input_struc, kkr_struc) if matched: self.msg = "matched by structure matcher" else: # compare by rdf rdfconverter = RDFConverter() input_rdf = rdfconverter.make_nndistance(input_struc)['all'] self.input_rdf = input_rdf output_rdf = rdfconverter.make_nndistance(kkr_struc)['all'] self.output_rdf = output_rdf _plot_rdf(input_rdf, output_rdf, directory=os.path.join( self.parent_directory, self.directory)) if _rdf_diff_is_zero(input_rdf, output_rdf): self.msg = "matched by rdf" matched = True # optional check # spg may not match becaseu of a bug of spglib spgmatch = [True, True, True] if self.input_struc_spg_info[1] != self.kkr_struc_spg_info[1]: self.msg = "input and kkr space group is different {} != {}".format( self.input_struc_spg_info[1], self.kkr_struc_spg_info[1]) print("WARNING", self.msg) spgmatch[0] = False if self.prim_struc_spg_info[1] != self.kkr_struc_spg_info[1]: self.msg = "prim and kkr space group is different {} != {}".format( self.prim_struc_spg_info[1], self.kkr_struc_spg_info[1]) print("WARNING", self.msg) spgmatch[1] = False print(self.conv_struc_spg_info, self.kkr_struc_spg_info) if self.conv_struc_spg_info[1] != self.kkr_struc_spg_info[1]: self.msg = "conv and kkr space group is different {} != {}".format( self.conv_struc_spg_info[1], self.kkr_struc_spg_info[1]) print("WARNING", self.msg) spgmatch[2] = False spgmatch = np.array(spgmatch) if np.any(spgmatch == False): self.msg = self.matchedflag2msg( matched)+", but "+self.NO_SPG_MATCH return self.matchedflag2msg(matched) self.msg = "structure isn't the same" return self.matchedflag2msg(matched) def log_msg(self, msg, filename=None): lines = [] lines.append("ciffile = " + self.ciffile) lines.append("directory = " + self.directory) lines.append("msg = " + msg) try: lines.append("prim space group, number {}".format( self.prim_struc_spg_info)) except AttributeError: pass try: lines.append("conv space group, number {}".format( self.conv_struc_spg_info)) except AttributeError: pass try: lines.append("input space group, number {}".format( self.input_struc_spg_info)) except AttributeError: pass try: lines.append("output space group, number {}".format( self.kkr_struc_spg_info)) except AttributeError: pass try: lines.append("input structure len, {}".format( self.input_struc.num_sites)) except AttributeError: pass try: lines.append("output structure len, {}".format( self.kkr_struc.num_sites)) except AttributeError: lines.append("probably failed to make kkr structure") try: if self.input_struc.num_sites == self.kkr_struc.num_sites: lines.append("input structure {}".format(self.input_struc)) lines.append(("output structure {}".format(self.kkr_struc))) except AttributeError: pass if self.input_struc is not None and self.kkr_struc is not None: try: x = self.input_rdf except: rdfconverter = RDFConverter() self.input_rdf = rdfconverter.make_nndistance(self.input_struc)[ 'all'] try: x = self.output_rdf except: rdfconverter = RDFConverter() self.output_rdf = rdfconverter.make_nndistance(self.kkr_struc)[ 'all'] msg = _rdf_diff_is_zero( self.input_rdf, self.output_rdf, output_msg=True) lines.extend(msg) _plot_rdf(self.input_rdf, self.output_rdf, directory=os.path.join( self.parent_directory, self.directory)) else: if self.input_struc is None: lines.append("input_struc is None") if self.kkr_struc is None: lines.append("kkr_struc is None") lines.append("") lines.append("") if filename is not None: with open(filename, "a") as f: f.write("\n".join(lines)) print() print("appended to", filename) print() return lines def get_structure_param(self, remove_temperaryfiles=True): struc_file = os.path.join(self.parent_directory, self.directory, self.structurefile) with open(struc_file) as f: struc_param = json.load(f) if remove_temperaryfiles: path_remove = os.path.join(self.parent_directory, self.directory) shutil.rmtree(path_remove, ignore_errors=True) try: os.rmdir(self.parent_directory) except OSError as err: pass return struc_param
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library(ggplot2) m = 1 #rotation order phi = seq(0,2*pi,length.out = 100) r = seq(0,1,length.out = 50) real_filter = function(r,phi,m)exp(-r^2)*cos(phi*m) img_filter = function(r,phi,m)exp(-r^2)*sin(phi*m) df = expand.grid(phi = phi, r = r) df$real_filter = real_filter(df$r,df$phi,m) df$img_filter = img_filter(df$r,df$phi,m) df$input = 0 df$input[df$phi > 0 & df$phi < pi/6 & df$r>0.48 & df$r<0.52] = 1 df$input[df$phi > pi/12-0.01 & df$phi < pi/12+0.01 & df$r>0.3 & df$r<0.7] = 1 p_in <- ggplot(df) + geom_tile(aes(phi,r,fill=input))+ coord_polar(direction = -1,start=3*pi/2) # plot the original image on the polar coordinates plot(p_in) df$input_rotate = 0 df$input_rotate[df$phi > 0+pi/2 & df$phi < pi/6+pi/2 & df$r>0.48 & df$r<0.52] = 1 df$input_rotate[df$phi > pi/12+pi/2-0.01 & df$phi < pi/12+0.01+pi/2 & df$r>0.3 & df$r<0.7] = 1 p_in_rotate <- ggplot(df) + geom_tile(aes(phi,r,fill=input_rotate))+ coord_polar(direction = -1,start=3*pi/2) # plot the rotated image on the polar coordinates (pi/2, counter-clockwise) plot(p_in_rotate) # kernel weights p_real <- ggplot(df) + geom_tile(aes(phi,r,fill=real_filter))+ coord_polar(direction = -1,start=3*pi/2) p_img <- ggplot(df) + geom_tile(aes(phi,r,fill=img_filter))+ coord_polar(direction = -1,start=3*pi/2) # Real and imaginary part of the convolution operation, which resulted in a complex number out_real = sum(df$input*df$real_filter) out_img = sum(df$input*df$img_filter) out_real_rotate = sum(df$input_rotate*df$real_filter) out_img_rotate = sum(df$input_rotate*df$img_filter) plot(0,0,type='n',xlim = c(-100,100),ylim = c(-100,100)) abline(h=0,lty = 2) abline(v=0,lty = 2) lines(c(0,out_real),c(0,out_img),col=2) lines(c(0,out_real_rotate),c(0,out_img_rotate),col=3)
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\section{Conclusions} \label{sec:conclusions} In this work we showed the implementation of a bot for botnets with centralized C\&C layer. The developed bot is fundamentally thought for testing and educational showcase, but it is actually ready to interact with a real web controller. The implemented architecture makes it really easy to extend the bot code for educational experimentations. Our bot is configurable and instructable by convenient web user interfaces.
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from typing import Dict, List import numpy as np def _extract_batch_length(preds: Dict[str, np.ndarray]) -> int: """Extracts batch length of predictions.""" batch_length = None for key, value in preds.items(): batch_length = batch_length or value.shape[0] if value.shape[0] != batch_length: raise ValueError(f"Batch length of predictions should be same. {key} has different batch length than others.") return batch_length def unbatch_preds(preds: Dict[str, np.ndarray]) -> List[Dict[str, np.ndarray]]: """Unbatch predictions, as in estimator.predict(). """ return [{key: value[i] for key, value in preds.items()} for i in range(_extract_batch_length(preds))]
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MODULE ED_SPARSE_MATRIX !THIS VERSION CONTAINS ONLY DBLE ELEMENT: (SYMMETRIC MATRIX) USE SF_IOTOOLS, only: str,free_unit USE SF_CONSTANTS, only: zero #ifdef _MPI USE SF_MPI USE MPI #endif implicit none private type sparse_row_csr integer :: size !actual complex(8),dimension(:),allocatable :: vals integer,dimension(:),allocatable :: cols end type sparse_row_csr type sparse_matrix_csr type(sparse_row_csr),dimension(:),pointer :: row integer :: Nrow integer :: Ncol logical :: status=.false. #ifdef _MPI integer :: istart=0 !global start index for MPI storage integer :: iend=0 integer :: ishift=0 logical :: mpi=.false. #endif end type sparse_matrix_csr !INIT SPARSE MATRICES interface sp_init_matrix module procedure :: sp_init_matrix_csr #ifdef _MPI module procedure :: mpi_sp_init_matrix_csr #endif end interface sp_init_matrix !DELETE SPARSE MATRIX interface sp_delete_matrix module procedure :: sp_delete_matrix_csr #ifdef _MPI module procedure :: mpi_sp_delete_matrix_csr #endif end interface sp_delete_matrix !INSERT ELEMENTS interface sp_insert_element module procedure :: sp_insert_element_csr #ifdef _MPI module procedure :: mpi_sp_insert_element_csr #endif end interface sp_insert_element !LOAD STANDARD MATRIX INTO SPARSE MATRICES interface sp_load_matrix module procedure :: sp_load_matrix_csr #ifdef _MPI module procedure :: mpi_sp_load_matrix_csr #endif end interface sp_load_matrix !DUMP SPARSE MATRIX INTO STANDARD MATRIX interface sp_dump_matrix module procedure :: sp_dump_matrix_csr #ifdef _MPI module procedure :: mpi_sp_dump_matrix_csr #endif end interface sp_dump_matrix !SPY PRINT SPARSE MATRIX interface sp_spy_matrix module procedure :: sp_spy_matrix_csr #ifdef _MPI module procedure :: mpi_sp_spy_matrix_csr #endif end interface sp_spy_matrix #ifdef _MPI interface sp_set_mpi_matrix module procedure :: sp_set_mpi_matrix_csr end interface sp_set_mpi_matrix #endif !Linked-List Sparse Matrix public :: sparse_matrix_csr public :: sp_init_matrix !init the sparse matrix !checked public :: sp_delete_matrix !delete the sparse matrix !checked public :: sp_insert_element !insert an element !checked public :: sp_load_matrix !create sparse from array !checked public :: sp_dump_matrix !dump sparse into array !checked public :: sp_spy_matrix ! #ifdef _MPI public :: sp_set_mpi_matrix #endif interface add_to module procedure :: add_to_I module procedure :: add_to_D module procedure :: add_to_Z end interface add_to integer :: MpiIerr contains !+------------------------------------------------------------------+ !PURPOSE: initialize the sparse matrix list !+------------------------------------------------------------------+ subroutine sp_init_matrix_csr(sparse,N,N1) type(sparse_matrix_csr),intent(inout) :: sparse integer :: N integer,optional :: N1 integer :: i ! !put here a delete statement to avoid problems if(sparse%status)stop "sp_init_matrix: alreay allocate can not init" ! sparse%Nrow=N sparse%Ncol=N if(present(N1))sparse%Ncol=N1 ! allocate(sparse%row(N)) do i=1,N sparse%row(i)%size=0 allocate(sparse%row(i)%vals(0)) !empty array allocate(sparse%row(i)%cols(0)) !empty array end do ! sparse%status=.true. ! end subroutine sp_init_matrix_csr #ifdef _MPI subroutine mpi_sp_init_matrix_csr(MpiComm,sparse,N,N1) integer :: MpiComm type(sparse_matrix_csr),intent(inout) :: sparse integer :: N integer,optional :: N1 integer :: i,Ncol,Nloc ! if(MpiComm==Mpi_Comm_Null)return ! call sp_test_matrix_mpi(MpiComm,sparse,"mpi_sp_init_matrix_csr") ! Ncol = N if(present(N1))Ncol=N1 ! Nloc = sparse%iend-sparse%istart+1 ! call sp_init_matrix_csr(sparse,Nloc,Ncol) ! end subroutine mpi_sp_init_matrix_csr #endif !+------------------------------------------------------------------+ !PURPOSE: delete an entire sparse matrix !+------------------------------------------------------------------+ subroutine sp_delete_matrix_csr(sparse) type(sparse_matrix_csr),intent(inout) :: sparse integer :: i ! if(.not.sparse%status)return !stop "Warning SPARSE/sp_delete_matrix: sparse not allocated already." ! do i=1,sparse%Nrow deallocate(sparse%row(i)%vals) deallocate(sparse%row(i)%cols) sparse%row(i)%Size = 0 enddo deallocate(sparse%row) ! sparse%Nrow=0 sparse%Ncol=0 sparse%status=.false. #ifdef _MPI sparse%istart = 0 sparse%iend = 0 sparse%ishift = 0 sparse%mpi = .false. #endif end subroutine sp_delete_matrix_csr #ifdef _MPI subroutine mpi_sp_delete_matrix_csr(MpiComm,sparse) integer :: MpiComm type(sparse_matrix_csr),intent(inout) :: sparse integer :: i ! if(MpiComm==Mpi_Comm_Null)return ! if(.not.sparse%status)return !stop "Error SPARSE/mpi_sp_delete_matrix: sparse is not allocated." ! do i=1,sparse%Nrow deallocate(sparse%row(i)%vals) deallocate(sparse%row(i)%cols) sparse%row(i)%Size = 0 enddo deallocate(sparse%row) ! sparse%Nrow=0 sparse%Ncol=0 sparse%status=.false. ! sparse%istart=0 sparse%iend=0 sparse%ishift=0 sparse%mpi=.false. ! end subroutine mpi_sp_delete_matrix_csr #endif !+------------------------------------------------------------------+ !PURPOSE: insert an element value at position (i,j) in the sparse matrix !+------------------------------------------------------------------+ subroutine sp_insert_element_csr(sparse,value,i,j) type(sparse_matrix_csr),intent(inout) :: sparse complex(8),intent(in) :: value integer,intent(in) :: i,j type(sparse_row_csr),pointer :: row integer :: column,pos logical :: iadd ! column = j ! row => sparse%row(i) ! iadd = .false. !check if column already exist if(any(row%cols == column))then ! pos = binary_search(row%cols,column) !find the position column in %cols iadd=.true. !set Iadd to true endif ! if(iadd)then !this column exists so just sum it up row%vals(pos)=row%vals(pos) + value !add up value to the current one in %vals else !this column is new. increase counter and store it ! row%vals = [row%vals,value] ! row%cols = [row%cols,column] call add_to(row%vals,value) call add_to(row%cols,column) row%Size = row%Size + 1 endif ! if(row%Size > sparse%Ncol)stop "sp_insert_element_csr ERROR: row%Size > sparse%Ncol" ! end subroutine sp_insert_element_csr #ifdef _MPI subroutine mpi_sp_insert_element_csr(MpiComm,sparse,value,i,j) integer :: MpiComm type(sparse_matrix_csr),intent(inout) :: sparse complex(8),intent(in) :: value integer,intent(in) :: i,j type(sparse_row_csr),pointer :: row integer :: column,pos logical :: iadd ! if(MpiComm==Mpi_Comm_Null)return ! call sp_test_matrix_mpi(MpiComm,sparse," mpi_sp_insert_element_csr") ! column = j ! row => sparse%row(i-sparse%Ishift) ! iadd = .false. !check if column already exist if(any(row%cols == column))then ! pos = binary_search(row%cols,column) !find the position column in %cols iadd=.true. !set Iadd to true endif ! if(iadd)then !this column exists so just sum it up row%vals(pos)=row%vals(pos) + value !add up value to the current one in %vals else !this column is new. increase counter and store it ! row%vals = [row%vals,value] ! row%cols = [row%cols,column] call add_to(row%vals,value) call add_to(row%cols,column) row%Size = row%Size + 1 endif ! if(row%Size > sparse%Ncol)stop "mpi_sp_insert_element_csr ERROR: row%Size > sparse%Ncol" ! end subroutine mpi_sp_insert_element_csr #endif !+------------------------------------------------------------------+ !PURPOSE: load a regular matrix (2dim array) into a sparse matrix !+------------------------------------------------------------------+ subroutine sp_load_matrix_csr(matrix,sparse) complex(8),dimension(:,:),intent(in) :: matrix type(sparse_matrix_csr),intent(inout) :: sparse integer :: i,j,Ndim1,Ndim2 ! Ndim1=size(matrix,1) Ndim2=size(matrix,2) ! if(sparse%status)call sp_delete_matrix_csr(sparse) call sp_init_matrix_csr(sparse,Ndim1,Ndim2) ! do i=1,Ndim1 do j=1,Ndim2 if(matrix(i,j)/=zero)call sp_insert_element_csr(sparse,matrix(i,j),i,j) enddo enddo end subroutine sp_load_matrix_csr #ifdef _MPI subroutine mpi_sp_load_matrix_csr(MpiComm,matrix,sparse) integer :: MpiComm complex(8),dimension(:,:),intent(in) :: matrix type(sparse_matrix_csr),intent(inout) :: sparse integer :: i,j,Ndim1,Ndim2 ! if(MpiComm==Mpi_Comm_Null)return ! call sp_test_matrix_mpi(MpiComm,sparse," mpi_sp_load_matrix_csr") ! Ndim1=size(matrix,1) Ndim2=size(matrix,2) ! if(sparse%status)call sp_delete_matrix_csr(sparse) call mpi_sp_init_matrix_csr(MpiComm,sparse,Ndim1,Ndim2) ! do i=sparse%Istart,sparse%Iend do j=1,Ndim2 if(matrix(i,j)/=zero)call mpi_sp_insert_element_csr(MpiComm,sparse,matrix(i,j),i,j) enddo enddo end subroutine mpi_sp_load_matrix_csr #endif !+------------------------------------------------------------------+ !PURPOSE: dump a sparse matrix into a regular 2dim array !+------------------------------------------------------------------+ subroutine sp_dump_matrix_csr(sparse,matrix) type(sparse_matrix_csr),intent(in) :: sparse complex(8),dimension(:,:),intent(inout) :: matrix integer :: i,j,Ndim1,Ndim2 ! Ndim1=size(matrix,1) Ndim2=size(matrix,2) ! if(sparse%Nrow/=Ndim1 .OR. sparse%Ncol/=Ndim2)stop "Warning SPARSE/dump_matrix: dimensions error" ! do i=1,Ndim1 do j=1,sparse%row(i)%Size matrix(i,sparse%row(i)%cols(j)) = matrix(i,sparse%row(i)%cols(j)) + sparse%row(i)%vals(j) enddo enddo end subroutine sp_dump_matrix_csr #ifdef _MPI subroutine mpi_sp_dump_matrix_csr(MpiComm,sparse,matrix) integer :: MpiComm type(sparse_matrix_csr),intent(in) :: sparse complex(8),dimension(:,:),intent(inout) :: matrix complex(8),dimension(:,:),allocatable :: matrix_tmp integer :: i,impi,j,N1_,N2_,Ndim1,Ndim2,Nrow,Ncol ! if(MpiComm==Mpi_Comm_Null)return ! call sp_test_matrix_mpi(MpiComm,sparse," mpi_sp_dump_matrix_csr") ! Ndim1=size(matrix,1) Ndim2=size(matrix,2) ! N1_ = sparse%Nrow N2_ = sparse%Ncol Nrow = 0 Ncol = 0 call MPI_AllReduce(N1_,Nrow,1,MPI_Integer,MPI_SUM,MpiComm,MpiIerr) call MPI_AllReduce(N2_,Ncol,1,MPI_Integer,MPI_MAX,MpiComm,MpiIerr) ! if(Nrow>Ndim1 .OR. Ncol>Ndim2)stop "Warning SPARSE/mpi_dump_matrix: dimensions error" ! allocate(matrix_tmp(Ndim1,Ndim2));matrix_tmp=zero do i=sparse%Istart,sparse%Iend impi = i - sparse%Ishift do j=1,sparse%row(impi)%Size matrix_tmp(i,sparse%row(impi)%cols(j))=matrix_tmp(i,sparse%row(impi)%cols(j))+sparse%row(impi)%vals(j) enddo enddo ! ! Matrix=0d0 call AllReduce_Mpi(MpiComm,Matrix_tmp,Matrix) ! end subroutine mpi_sp_dump_matrix_csr #endif !+------------------------------------------------------------------+ !PURPOSE: pretty print a sparse matrix on a given unit using format fmt !+------------------------------------------------------------------+ subroutine sp_spy_matrix_csr(sparse,header) type(sparse_matrix_csr) :: sparse character ( len = * ) :: header integer :: N1,N2 character ( len = 255 ) :: command_filename integer :: command_unit character ( len = 255 ) :: data_filename integer :: data_unit integer :: i, j integer :: nz_num character ( len = 255 ) :: png_filename ! ! Create data file. ! ! N1 = sparse%Nrow N2 = sparse%Ncol data_filename = trim ( header ) // '_data.dat' open (unit=free_unit(data_unit), file = data_filename, status = 'replace' ) nz_num = 0 do i=1,N1 do j=1,sparse%row(i)%size write(data_unit,'(2x,i6,2x,i6)') sparse%row(i)%cols(j),i nz_num = nz_num + 1 enddo enddo close(data_unit) ! ! Create command file. ! command_filename = "plot_"//str(header)//'_commands.gp' open(unit = free_unit(command_unit), file = command_filename, status = 'replace' ) write(command_unit,'(a)') '#unset key' write(command_unit,'(a)') 'set terminal postscript eps enhanced color font "Times-Roman,16"' write(command_unit,'(a)') 'set output "|ps2pdf -sEPSCrop - '//str(header)//".pdf"//'"' write(command_unit,'(a)') 'set size ratio -1' write(command_unit,'(a)') 'set xlabel "<--- J --->"' write(command_unit,'(a)') 'set ylabel "<--- I --->"' write(command_unit,'(a,i6,a)')'set title "',nz_num,' nonzeros for '//str(header)//'"' write(command_unit,'(a)') 'set timestamp' write(command_unit,'(a)' )'plot [x=1:'//str(N1)//'] [y='//str(N2)//':1] "'//& str(data_filename)//'" w p pt 5 ps 0.4 lc rgb "red"' close ( unit = command_unit ) return end subroutine sp_spy_matrix_csr #ifdef _MPI subroutine mpi_sp_spy_matrix_csr(MpiComm,sparse,header) integer :: MpiComm type(sparse_matrix_csr) :: sparse character ( len = * ) :: header integer :: N1,N2,N1_,N2_ character ( len = 255 ) :: command_filename integer :: command_unit character ( len = 255 ) :: data_filename(1) integer :: data_unit integer :: i, j integer :: nz_num,mpirank character ( len = 255 ) :: png_filename ! if(MpiComm==Mpi_Comm_Null)return ! call sp_test_matrix_mpi(MpiComm,sparse," mpi_sp_spy_matrix_csr") ! MpiRank = get_Rank_MPI(MpiComm) ! ! Create data file. ! N1_=sparse%Nrow N2_=sparse%Ncol N1=0 N2=0 call MPI_AllReduce(N1_,N1,1,MPI_Integer,MPI_SUM,MpiComm,MpiIerr) call MPI_AllReduce(N2_,N2,1,MPI_Integer,MPI_MAX,MpiComm,MpiIerr) ! nz_num = 0 ! data_filename(1) = trim(header)//"_rank"//str(MpiRank,4)//'_matrix.dat' open(unit=free_unit(data_unit),file=data_filename(1), status = 'replace' ) do i=1,sparse%Nrow do j=1,sparse%row(i)%Size write(data_unit,'(2x,i6,2x,i6)') sparse%row(i)%cols(j),i+sparse%Ishift nz_num = nz_num + 1 enddo enddo write(data_unit,'(2x,i6,2x,i6)') close(data_unit) ! ! call MPI_Barrier(MpiComm,MpiIerr) ! ! Create command file. ! command_filename = "plot_"//trim(header)//"_rank"//str(MpiRank,4)//'_commands.gp' open(unit = free_unit(command_unit), file = command_filename, status = 'replace' ) write(command_unit,'(a)') '#unset key' write(command_unit,'(a)') 'set terminal postscript eps enhanced color font "Times-Roman,16"' write(command_unit,'(a)') 'set output "|ps2pdf -sEPSCrop - '//str(header)//"_rank"//str(MpiRank,4)//".pdf"//'"' write(command_unit,'(a)') 'set size ratio -1' write(command_unit,'(a)') 'set xlabel "<--- J --->"' write(command_unit,'(a)') 'set ylabel "<--- I --->"' write(command_unit,'(a,i6,a)' ) & 'set title "',nz_num,' nonzeros for '//str(header)//"_rank"//str(MpiRank,4)//'"' write(command_unit,'(a)') 'set timestamp' write(command_unit,'(a)' )'plot [x=1:'//str(N1)//'] [y='//str(N2)//':1] "'//& str(data_filename(1))//'" w p pt 5 ps 0.4 lc rgb "red"' close ( unit = command_unit ) return end subroutine mpi_sp_spy_matrix_csr #endif #ifdef _MPI subroutine sp_set_mpi_matrix_csr(MpiComm,sparse,istart,iend,ishift) integer :: MpiComm type(sparse_matrix_csr),intent(inout) :: sparse integer :: istart,iend,ishift ! if(MpiComm==Mpi_Comm_Null)return ! sparse%istart = istart sparse%iend = iend sparse%ishift = ishift sparse%mpi = .true. end subroutine sp_set_mpi_matrix_csr subroutine sp_test_matrix_mpi(MpiComm,sparse,text) integer :: MpiComm type(sparse_matrix_csr),intent(in) :: sparse character(len=*) :: text integer :: MpiRank ! if(MpiComm==Mpi_Comm_Null)stop "sp_test_matrix_mpi ERROR: called in with MpiComm = Mpi_Comm_Null" ! MpiRank = get_Rank_MPI(MpiComm) if(.not.sparse%mpi)then print*,"Rank, Error in "//trim(text)//": mpi no set" stop endif end subroutine sp_test_matrix_mpi #endif !################################################################## !################################################################## ! AUXILIARY COMPUTATIONAL ROUTINES !################################################################## !################################################################## recursive function binary_search(Ain,value) result(bsresult) integer,intent(in) :: Ain(:), value integer :: bsresult, mid integer,dimension(size(Ain)) :: A,Order ! a = ain call sort_array(a,Order) ! mid = size(a)/2 + 1 if (size(a) == 0) then bsresult = 0 ! not found !stop "binary_search error: value not found" else if (a(mid) > value) then bsresult= binary_search(a(:mid-1), value) else if (a(mid) < value) then bsresult = binary_search(a(mid+1:), value) if (bsresult /= 0) then bsresult = mid + bsresult end if else bsresult = mid ! SUCCESS!! end if ! bsresult = Order(bsresult) ! end function binary_search subroutine add_to_I(vec,val) integer,dimension(:),allocatable,intent(inout) :: vec integer,intent(in) :: val integer,dimension(:),allocatable :: tmp integer :: n ! if (allocated(vec)) then n = size(vec) allocate(tmp(n+1)) tmp(:n) = vec call move_alloc(tmp,vec) n = n + 1 else n = 1 allocate(vec(n)) end if ! !Put val as last entry: vec(n) = val ! if(allocated(tmp))deallocate(tmp) end subroutine add_to_I subroutine add_to_D(vec,val) real(8),dimension(:),allocatable,intent(inout) :: vec real(8),intent(in) :: val real(8),dimension(:),allocatable :: tmp integer :: n ! if (allocated(vec)) then n = size(vec) allocate(tmp(n+1)) tmp(:n) = vec call move_alloc(tmp,vec) n = n + 1 else n = 1 allocate(vec(n)) end if ! !Put val as last entry: vec(n) = val ! if(allocated(tmp))deallocate(tmp) end subroutine add_to_D subroutine add_to_Z(vec,val) complex(8),dimension(:),allocatable,intent(inout) :: vec complex(8),intent(in) :: val complex(8),dimension(:),allocatable :: tmp integer :: n ! if (allocated(vec)) then n = size(vec) allocate(tmp(n+1)) tmp(:n) = vec call move_alloc(tmp,vec) n = n + 1 else n = 1 allocate(vec(n)) end if ! !Put val as last entry: vec(n) = val ! if(allocated(tmp))deallocate(tmp) end subroutine add_to_Z !+------------------------------------------------------------------+ !PURPOSE : Sort an array, gives the new ordering of the label. !+------------------------------------------------------------------+ subroutine sort_array(array,order) implicit none integer,dimension(:) :: array integer,dimension(size(array)) :: order integer,dimension(size(array)) :: backup integer :: i forall(i=1:size(array))order(i)=i call qsort_sort(array, order,1, size(array)) do i=1,size(array) backup(i)=array(order(i)) enddo array=backup contains recursive subroutine qsort_sort( array, order, left, right ) integer, dimension(:) :: array integer, dimension(:) :: order integer :: left integer :: right integer :: i integer :: last if ( left .ge. right ) return call qsort_swap( order, left, qsort_rand(left,right) ) last = left do i = left+1, right if ( compare(array(order(i)), array(order(left)) ) .lt. 0 ) then last = last + 1 call qsort_swap( order, last, i ) endif enddo call qsort_swap( order, left, last ) call qsort_sort( array, order, left, last-1 ) call qsort_sort( array, order, last+1, right ) end subroutine qsort_sort !---------------------------------------------! subroutine qsort_swap( order, first, second ) integer, dimension(:) :: order integer :: first, second integer :: tmp tmp = order(first) order(first) = order(second) order(second) = tmp end subroutine qsort_swap !---------------------------------------------! integer function qsort_rand( lower, upper ) integer :: lower, upper real(8) :: r call random_number(r) qsort_rand = lower + nint(r * (upper-lower)) end function qsort_rand !---------------------------------------------! function compare(f,g) implicit none integer :: f,g integer :: compare if(f<g) then compare=-1 else compare=1 endif end function compare end subroutine sort_array end module ED_SPARSE_MATRIX
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#!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Thu Feb 22 21:50:45 2018 @author: amajidsinar """ #!/usr/bin/env python3 # -*- coding: utf-8 -*- """ Created on Tue Feb 20 23:30:12 2018 @author: amajidsinar """ import numpy as np class Knn(): def __init__(self, k, dist='euc'): avDist = ['euc', 'manhattan'] if dist not in avDist: pass self.k = k self.dist = dist def fit(self,data_known,label_known): self.data_known = data_known self.label_known = label_known def L1_distance(self): diff = self.data_known - self.data_unknown.reshape((self.data_unknown.shape[0],1,self.data_unknown.shape[1])) return (diff**2).sum(2) def manhattan(self): diff = self.data_known - self.data_unknown.reshape((self.data_unknown.shape[0],1,self.data_unknown.shape[1])) return np.abs(diff).sum(2) def predict(self, data_unknown): self.data_unknown = data_unknown #sort label if self.dist == 'euc': dist_index = np.argsort(self.L2_distance()) else: dist_index = np.argsort(self.manhattan()) label = self.label_known[dist_index] #only pick until kth index label = label[:,:self.k] #return the mode label_predict = [] for i in range(self.data_unknown.shape[0]): values,counts = np.unique(label[i], return_counts=True) ind = np.argmax(counts) label_predict.append(values[ind]) return label_predict import random def split(data_known,label_known,training_percentage): #data_set and label is static data_set = data_known label = label_known #take percentage*len(data) index = random.sample(range(len(data_known)),int(training_percentage*len(data_known))) data_known = data_set[index] label_known = label[index] data_unknown = np.delete(data_set, index, axis=0) label_unknown = np.delete(label, index, axis=0) return (data_known,label_known,data_unknown,label_unknown) #load iris from sklearn import datasets digits = datasets.load_digits() data_known = digits.data label_known = digits.target data_known,label_known,data_unknown,label_unknown = split(data_known,label_known,0.8) val_accuracy = [] for i in np.arange(1,40): knn = Knn(i) knn.fit(data_known,label_known) label_predict = knn.predict(data_unknown) performance = np.mean(label_predict == label_unknown) val_accuracy.append(performance) import matplotlib.pyplot as plt plt.title('accuracy vs k plot of digit recognition') plt.xlabel('k') plt.ylabel('accuracy') plt.plot(val_accuracy)
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using CartesianGP using Base.Test # ZERO @test ZERO.func() == 0 # ONE @test ONE.func() == typemax(BitString) # AND @test AND.func([ZERO.func(), ZERO.func()]...) == ZERO.func() @test AND.func([ONE.func(), ZERO.func()]...) == ZERO.func() @test AND.func([ZERO.func(), ONE.func()]...) == ZERO.func() @test AND.func([ONE.func(), ONE.func()]...) == ONE.func() # OR @test OR.func([ZERO.func(), ZERO.func()]...) == ZERO.func() @test OR.func([ONE.func(), ZERO.func()]...) == ONE.func() @test OR.func([ZERO.func(), ONE.func()]...) == ONE.func() @test OR.func([ONE.func(), ONE.func()]...) == ONE.func() # XOR @test XOR.func([ZERO.func(), ZERO.func()]...) == ZERO.func() @test XOR.func([ONE.func(), ZERO.func()]...) == ONE.func() @test XOR.func([ZERO.func(), ONE.func()]...) == ONE.func() @test XOR.func([ONE.func(), ONE.func()]...) == ZERO.func() # NOT @test NOT.func([ZERO.func()]...) == ONE.func() @test NOT.func([ONE.func()]...) == ZERO.func()
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[STATEMENT] theorem ll_001: "t \<in> {20 .. 20} \<longrightarrow> (s, x1, x2, x3, x4, x5, x6, x7) \<in> {(0, 1.19, 1.04, 1.49, 2.39, 0.99, 0.09, 0.44) .. (0, 1.21, 1.06, 1.51, 2.41, 1.01, 0.11, 0.46)} \<longrightarrow> t \<in> ll.existence_ivl0 (s, x1, x2, x3, x4, x5, x6, x7) \<and> ll.flow0 (s, x1, x2, x3, x4, x5, x6, x7) t \<in> {(19.99, 0.8, 0.3, 0.5, 2.5, 0.1, 0.0, 0.25) .. (20, 1.0, 0.5, 0.7, 3.0, 0.3, 0.1, 0.35)}" [PROOF STATE] proof (prove) goal (1 subgoal): 1. t \<in> point_ivl 20 \<longrightarrow> (s, x1, x2, x3, x4, x5, x6, x7) \<in> {(0, 119 / 10\<^sup>2, 104 / 10\<^sup>2, 149 / 10\<^sup>2, 239 / 10\<^sup>2, 99 / 10\<^sup>2, 9 / 10\<^sup>2, 44 / 10\<^sup>2)..(0, 121 / 10\<^sup>2, 106 / 10\<^sup>2, 151 / 10\<^sup>2, 241 / 10\<^sup>2, 101 / 10\<^sup>2, 11 / 10\<^sup>2, 46 / 10\<^sup>2)} \<longrightarrow> t \<in> ll.existence_ivl0 (s, x1, x2, x3, x4, x5, x6, x7) \<and> ll.flow0 (s, x1, x2, x3, x4, x5, x6, x7) t \<in> {(1999 / 10\<^sup>2, 8 / 10, 3 / 10, 5 / 10, 25 / 10, 1 / 10, 0 / 10, 25 / 10\<^sup>2)..(20, 10 / 10, 5 / 10, 7 / 10, 30 / 10, 3 / 10, 1 / 10, 35 / 10\<^sup>2)} [PROOF STEP] by (tactic \<open>ode_bnds_tac @{thms laub_fas_def} 30 60 30 13 [(0, 4, "0x7f7f7f")] (* "out_ll_001.out" *) "" @{context} 1\<close>)
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Subroutine cgssor3(rhs,sol,n,m,nx) ! ! Solves via PCG with SSOR preconditioner. ! Uses sparse implementation on space grid. ! implicit none real*8 rhs(n,m) real*8 sol(n,m) real,dimension (0:nx+1,0:nx+1,1:m):: u,p,q,r,rhat real,dimension (0:nx+1) :: x,y real,dimension (1:m+1) :: oldrho, rho,alpha real :: error,dx2,w,time integer ::i,j,k,kk,n,nx,m,mcg w = 1.7 u = 0.0 kk = m r = 0.0 rhat = 0.0 q = 0.0 p = 0.0 do k = 1,kk do j = 1,nx do i = 1,nx r(i,j,k) = rhs(i+(j-1)*(nx),k) enddo enddo enddo error = 1. mcg = 0 rho = 0.0 do while ((error>.0001).and.(mcg<200)) mcg = mcg+1 oldrho = rho ! Execute SSOR preconditioner do k=1,kk do j= 1,nx do i = 1,nx rhat(i,j,k) = w*(r(i,j,k)+rhat(i-1,j,k)+rhat(i,j-1,k))*.25 enddo enddo enddo rhat(1:nx,1:nx,1:kk) = ((2.-w)/w)*4.*rhat(1:nx,1:nx,1:kk) do k = 1,kk do j= nx,1,-1 do i = nx,1,-1 rhat(i,j,k) = w*(rhat(i,j,k)+rhat(i+1,j,k)+rhat(i,j+1,k))*.25 enddo enddo enddo ! Find conjugate direction do k = 1,kk rho(k) = sum(r(1:nx,1:nx,k)*rhat(1:nx,1:nx,k)) If (rho(k).ne.0.) then if (mcg.eq.1) then p(1:nx,1:nx,k) = rhat(1:nx,1:nx,k) else p(1:nx,1:nx,k) = rhat(1:nx,1:nx,k) + 1 (rho(k)/oldrho(k))*p(1:nx,1:nx,k) endif ! Execute matrix product q = Ap q(1:nx,1:nx,k)=4.0*p(1:nx,1:nx,k)-p(0:nx-1,1:nx,k)- 1 p(2:nx+1,1:nx,k) 1 - p(1:nx,0:nx-1,k) - p(1:nx,2:nx+1,k) ! Find steepest descent alpha(k) = rho(k)/sum(p(1:nx,1:nx,k)*q(1:nx,1:nx,k)) u(1:nx,1:nx,k) = u(1:nx,1:nx,k) + alpha(k)*p(1:nx,1:nx,k) r(1:nx,1:nx,k) = r(1:nx,1:nx,k) - alpha(k)*q(1:nx,1:nx,k) endif enddo error = maxval(abs(r(1:nx,1:nx,1:kk))) enddo do k = 1,kk do j = 1,nx do i = 1,nx sol(i+(j-1)*(nx),k) = u(i,j,k) enddo enddo enddo ! print*, mcg ,error end subroutine
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from pdb import set_trace as T import torch from torch import nn, optim from torch.nn import functional as F from torch.nn.parameter import Parameter from torch.autograd import Variable from torch.distributions import Categorical import numpy as np import time #Same padded (odd k) def Conv2d(fIn, fOut, k, stride=1): pad = int((k-1)/2) return torch.nn.Conv2d(fIn, fOut, k, stride=stride, padding=pad) class StimNet(nn.Module): def __init__(self, xdim, h, ydim): super().__init__() self.conv1 = Conv2d(8, int(h/2), 3, stride=2) self.conv2 = Conv2d(int(h/2), h, 3, stride=2) self.fc1 = torch.nn.Linear(5+4*4*h, h) self.fc2 = torch.nn.Linear(h, ydim) def forward(self, conv, flat): if len(conv.shape) == 3: conv = conv.view(1, *conv.shape) flat = flat.view(1, *flat.shape) x, batch = conv, conv.shape[0] x = torch.nn.functional.relu(self.conv1(x)) x = torch.nn.functional.relu(self.conv2(x)) x = x.view(batch, -1) x = torch.cat((x, flat), dim=1) x = torch.nn.functional.relu(self.fc1(x)) x = self.fc2(x) pi = x.view(batch, -1) return pi def classify(logits): #logits = logits + 0.15*torch.norm(logits) distribution = Categorical(F.softmax(logits, dim=1)) atn = distribution.sample() return atn class ANN(nn.Module): def __init__(self, xdim, h, ydim): super().__init__() self.stimNet = StimNet(xdim, 24, ydim) self.valNet = StimNet(xdim, 24, 1) #self.curNet = CurNet(xdim, 24, ydim) self.conv, self.flat, self.ent, self.stim, self.idx = [], [], [], [], [] def recv(self, conv, flat, ent, stim, idx): self.conv.append(conv) self.flat.append(flat) self.ent.append(ent) self.stim.append(stim) self.idx.append(idx) def send(self): conv = torch.stack(self.conv, dim=0) flat = torch.stack(self.flat, dim=0) pi, val, atn = [], [], [] #for c, f in zip(conv, flat): # p, v, a = self.forward(c, f) # pi.append(p) # val.append(v) # atn.append(a) pi, val, atn = self.forward(conv, flat) pi = [e.view(1, -1) for e in pi] val = [e.view(1, -1) for e in val] atn = [e.view(1) for e in atn] ret = list(zip(pi, val, self.ent, self.stim, atn, self.idx)) self.conv, self.flat, self.ent, self.stim, self.idx = [], [], [], [], [] return ret def forward(self, conv, flat): pi = self.stimNet(conv, flat) val = self.valNet(conv, flat) atn = classify(pi) #ri, li = self.curNet(ents, entID, atn, conv, flat) return pi, val, atn if __name__ == '__main__': ann = ANN(1850, 32, 6)#.cuda() batch = 100 conv = torch.rand(batch, 8, 15, 15)#.cuda() flat = torch.rand(batch, 5)#.cuda() while True: start = time.time() _ = ann(conv, flat) print(1.0 / (time.time() - start))
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## -------->> [[file:../nstandr.src.org::*cockburn_combabbrev][cockburn_combabbrev:1]] ##' Collapses single character sequences ##' ##' @param x Object (table or vector) ##' @param wrap_in_spaces Whether to wrap strings in spaces before processing because the algorithm assumes assumes that each string begins and ends with space. Default is TRUE. ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_combabbrev <- function(x , wrap_in_spaces = TRUE , ...) { x_vector <- get_target(x) ## wrap in spaces if (wrap_in_spaces) { x_vector <- paste0(" ", x_vector, " ") } ## collapse sapply(x_vector, \(org_name) { reg <- gregexpr("(?=\\s\\w(\\s+)\\w\\s)", org_name, perl = TRUE) ## check if there are matches if(reg[[1]][1] != -1) { char <- strsplit(org_name, "", fixed = TRUE) |> unlist() pos <- mapply(function(from, length.out) seq(from, length.out = length.out) , from = attr(reg[[1]],"capture.start") , length.out = attr(reg[[1]],"capture.length") , SIMPLIFY = FALSE) |> unlist() char[pos] <- "" char |> paste(collapse = "") } else { org_name } }, USE.NAMES = FALSE) |> inset_target(x) } ## --------<< cockburn_combabbrev:1 ends here ## -------->> [[file:../nstandr.src.org::*Derwent][Derwent:1]] ##' @eval attr(cockburn_replace_derwent, "@title") ##' @description It is a version from Cockburn, I. M., A. Agrawal, ##' J. Bessen, J. H. S. Graham, B. H. Hall, and M. MacGarvie ##' (2009), The NBER Patent Citations Datafile Update. It differs ##' from original dervert standartization ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_replace_derwent <- make_alias(replace_patterns , patterns = cockburn_patterns_derwent , patterns_mode = "first") attr(cockburn_replace_derwent, "@title") <- "Performs Derwent standardization of organizational names" ## --------<< Derwent:1 ends here ## -------->> [[file:../nstandr.src.org::*Compustat][Compustat:1]] ##' @eval attr(cockburn_replace_compustat, "@title") ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_replace_compustat <- make_alias(replace_patterns , patterns = cockburn_patterns_compustat) attr(cockburn_replace_compustat, "@title") <- "COMPUSTAT specific standardization for organizational names" ##' @eval attr(cockburn_replace_compustat_names, "@title") ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_replace_compustat_names <- make_alias(replace_patterns , patterns = cockburn_patterns_compustat_names , patterns_type = "trim_exact") attr(cockburn_replace_compustat_names, "@title") <- "COMPUSTAT specific standardization for organizational names. Full name replacements." ## --------<< Compustat:1 ends here ## -------->> [[file:../nstandr.src.org::*Identify Entity Type][Identify Entity Type:1]] ##' Identifies Entity Type ##' ##' @param x vector or table ##' @param verbose For debuging. If set will message which procedures were done. ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_detect_type <- function(x , verbose = FALSE , ...) { do_verbosely <- \(x, fun) { fun_name <- deparse(substitute(fun)) if(verbose) message("- ", fun_name) x <- do.call(fun, list(x)) return(x) } x |> do_verbosely(cockburn_detect_corp) |> do_verbosely(cockburn_detect_indiv) |> do_verbosely(cockburn_detect_govt) |> do_verbosely(cockburn_detect_univ) |> do_verbosely(cockburn_detect_inst) |> do_verbosely(cockburn_detect_inst_conds) |> do_verbosely(cockburn_detect_inst_german) |> do_verbosely(cockburn_detect_hosp) } ##' Cleanup Entity Type ##' ##' @param x vector or table ##' @inheritDotParams replace_patterns ##' @return standardized names table ##' ##' @md ##' @export cockburn_replace_type <- function(x, ...) { x |> cockburn_replace_govt() |> cockburn_replace_univ() } ## --------<< Identify Entity Type:1 ends here ## -------->> [[file:../nstandr.src.org::*Firms (Corporates)][Firms (Corporates):1]] ##' @eval attr(cockburn_detect_corp, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_corp <- make_alias(detect_patterns , patterns = cockburn_patterns_corp , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , patterns_codes = "firm" , return_only_first_detected_code = TRUE) attr(cockburn_detect_corp, "@title") <- "Detect Corporates (code - 'firm')" ## --------<< Firms (Corporates):1 ends here ## -------->> [[file:../nstandr.src.org::*Individuals][Individuals:1]] ##' @eval attr(cockburn_detect_indiv, "@title") ##' @description From non_corporates.do file. Source - ##' https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_indiv <- make_alias(detect_patterns , patterns = cockburn_patterns_indiv , patterns_codes = "indiv" , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , return_only_first_detected_code = TRUE) attr(cockburn_detect_indiv, "@title") <- "Detect Individuals (Non-Corporates group)" ## --------<< Individuals:1 ends here ## -------->> [[file:../nstandr.src.org::*Government][Government:1]] ##' @eval attr(cockburn_detect_govt, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_govt <- make_alias(detect_patterns , patterns = cockburn_patterns_govt , patterns_codes = "govt" , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , return_only_first_detected_code = TRUE) attr(cockburn_detect_govt, "@title") <- "Detect Goverment Organizations (Non-Corporates group)" ##' @eval attr(cockburn_replace_govt, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_replace_govt <- make_alias(replace_patterns , patterns = cockburn_patterns_govt_cleanup) attr(cockburn_replace_govt, "@title") <- "Cleanup Goverment Organizations (Non-Corporates group)" ## --------<< Government:1 ends here ## -------->> [[file:../nstandr.src.org::*Universities][Universities:1]] ##' @eval attr(cockburn_detect_univ, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_univ <- make_alias(detect_patterns , patterns = cockburn_patterns_univ , patterns_codes = "univ" , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , return_only_first_detected_code = TRUE) attr(cockburn_detect_univ, "@title") <- "Detect Universities (Non-Corporates group)" ##' @eval attr(cockburn_replace_univ, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_replace_univ <- make_alias(replace_patterns , patterns = cockburn_patterns_univ_cleanup) attr(cockburn_replace_univ, "@title") <- "Cleanup Universities (Non-Corporates group)" ## --------<< Universities:1 ends here ## -------->> [[file:../nstandr.src.org::*Non-profit institutes][Non-profit institutes:1]] ##' @eval attr(cockburn_detect_inst, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_inst <- make_alias(detect_patterns , patterns = cockburn_patterns_inst , patterns_codes = "inst" , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , return_only_first_detected_code = TRUE) attr(cockburn_detect_inst, "@title") <- "Detect Non-profit Institutes (Non-Corporates group)" ## --------<< Non-profit institutes:1 ends here ## -------->> [[file:../nstandr.src.org::*Complex conditions][Complex conditions:1]] ##' @eval attr(cockburn_detect_inst_conds_1, "@title") ##' @description STATA equivalent: replace asstype = "inst" if strpos(standard_name," COUNCIL OF ")>0 & strpos(standard_name," RES ")>0 ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_inst_conds_1 <- make_alias(detect_patterns , patterns = " COUNCIL OF .* RES | RES .* COUNCIL OF " , patterns_type = "regex" , patterns_codes = "inst" , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , return_only_first_detected_code = TRUE) attr(cockburn_detect_inst_conds_1, "@title") <- "Detects Non-profit institutes with special conditions" ##' Detects Non-profit institutes with special conditions ##' ##' STATA equivalent ##' replace asstype = "inst" if strpos(standard_name," FOUND ")~=0 & asstype~="univ" ##' assume a bug: " FOUND ")~=0 -> " FOUND ")>0 ##' replace asstype = "inst" if strpos(standard_name," INST ")>0 & asstype~="univ" ##' ##' @param x table. Expected that x has a column with codes for universities ##' @param output_codes_col_name column with codes for universities ("univ"). Default is last column of x ##' @param merge_existing_codes same as in [detect_patterns()] ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_detect_inst_conds_2 <- function(x , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , ...) { conds <- get_target(x , output_col_name = output_codes_col_name , output_placement = "append_to_x" , rows = NULL , return_null_for_new_col = TRUE) |> lapply(`%in%`, "univ") |> sapply(any, na.rm = TRUE) |> (\(conds) if(length(conds) == 0) NULL else !conds)() rows <- get_col_and_rows()$rows detect_patterns(x , patterns = c(" FOUND " , " INST ") , rows = and_rows(conds, rows, x) , output_codes_col_name = output_codes_col_name , patterns_codes = "inst" , merge_existing_codes = merge_existing_codes , return_only_first_detected_code = TRUE) } ##' Detects Non-profit institutes with special conditions ##' ##' @param x table. Expected that x has a column with codes for universities ##' @param merge_existing_codes same as in [detect_patterns()] ##' @param output_codes_col_name column with codes for universities ("univ"). Default is last column of x ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_detect_inst_conds <- function(x , merge_existing_codes = "append_to_existing" , output_codes_col_name = "{col_name_}entity_type" , ...) { x |> cockburn_detect_inst_conds_1(merge_existing_codes = merge_existing_codes , output_codes_col_name = output_codes_col_name) |> cockburn_detect_inst_conds_2(output_codes_col_name = output_codes_col_name , merge_existing_codes = merge_existing_codes) } ## --------<< Complex conditions:1 ends here ## -------->> [[file:../nstandr.src.org::*German Non-profit institutes][German Non-profit institutes:1]] ##' @eval attr(cockburn_detect_inst_german, "@title") ##' @description "EINGETRAGENER VEREIN. NON PROFIT SOCIETY/ASSOCIATION." ##' @param x table ##' @param output_codes_col_name same as in [detect_patterns()] ##' @param merge_existing_codes same as in [detect_patterns()] ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_detect_inst_german <- function(x , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing" , ...) { rows <- get_col_and_rows()$rows conds <- detect_patterns(x , patterns = c(" UNIV " , " GMBH " , " KGAA " , " KG " , " AG " , " EG " , " OHG ") , patterns_codes = TRUE , no_match_code = FALSE , return_only_first_detected_code = TRUE , return_only_codes = TRUE) detect_patterns(x, patterns = c(" STIFTUNG " , " EINGETRAGENER VEREIN ") , output_codes_col_name = output_codes_col_name , merge_existing_codes = merge_existing_codes , rows = and_rows(rows, conds, x) , patterns_codes = "inst" , return_only_first_detected_code = TRUE) } attr(cockburn_detect_inst_german, "@title") <- "Detects German Non-profit institutes" ## --------<< German Non-profit institutes:1 ends here ## -------->> [[file:../nstandr.src.org::*Hospitals][Hospitals:1]] ##' @eval attr(cockburn_detect_hosp, "@title") ##' @description From non_corporates.do file. Source - https://sites.google.com/site/patentdataproject/Home/posts/namestandardizationroutinesuploaded ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_hosp <- make_alias(detect_patterns , patterns = cockburn_patterns_hosp , patterns_codes = "hosp" , return_only_first_detected_code = TRUE , output_codes_col_name = "{col_name_}entity_type" , merge_existing_codes = "append_to_existing") attr(cockburn_detect_hosp, "@title") <- "Detect Hospitals (Non-Corporates group)" ## --------<< Hospitals:1 ends here ## -------->> [[file:../nstandr.src.org::*Punctuation][Punctuation:1]] ##' Removes punctuation and standardise some symbols. ##' ##' @param x object ##' @inheritDotParams standardize_options ##' @return standardized names table ##' ##' @md ##' @export cockburn_replace_punctuation <- function(x , ...) { x |> replace_patterns(patterns = cockburn_replace_punctuation_and) |> replace_patterns(patterns = cockburn_replace_punctuation_the , patterns_type_col = 3) |> ## I swapted patstat with amadeus otherwise òâêîé will not become oaeie replace_patterns(patterns = cockburn_replace_punctuation_patstat) |> replace_patterns(patterns = cockburn_replace_punctuation_amadeus) |> replace_patterns(patterns = cockburn_replace_punctuation_char) } ## --------<< Punctuation:1 ends here ## -------->> [[file:../nstandr.src.org::*Standard Name][Standard Name:1]] ##' Create standard name ##' ##' @param x object ##' @inheritDotParams replace_patterns ##' @return standardized names table ##' ##' @md ##' @export cockburn_replace_standard_names <- function(x , ...) { x |> cockburn_replace_derwent() |> replace_patterns(patterns = cockburn_patterns_standard_names_additional) |> replace_patterns(patterns = cockburn_patterns_standard_names_country_specific) } ## --------<< Standard Name:1 ends here ## -------->> [[file:../nstandr.src.org::*Stem Name][Stem Name:1]] ##' @eval attr(cockburn_remove_standard_names, "@title") ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_remove_standard_names <- make_alias(replace_patterns , patterns = cockburn_patterns_stem_name , replacements = " ") attr(cockburn_remove_standard_names, "@title") <- "Creates so called stem name (a name with all legal entity identifiers removed)" ## --------<< Stem Name:1 ends here ## -------->> [[file:../nstandr.src.org::*USPTO special][USPTO special:1]] ##' @eval attr(cockburn_remove_uspto, "@title") ##' @inherit replace_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso replace_patterns ##' ##' @md ##' @export cockburn_remove_uspto <- make_alias(replace_patterns , patterns = cockburn_patterns_uspto) attr(cockburn_remove_uspto, "@title") <- "Removes special USPTO codes." ##' @eval attr(cockburn_detect_uspto, "@title") ##' @inherit detect_patterns params return ##' @inheritDotParams standardize_options ##' @return standardized names table ##' @family magerman ##' @seealso detect_patterns ##' ##' @md ##' @export cockburn_detect_uspto <- make_alias(detect_patterns , patterns = ";" , patterns_codes = "indiv" , output_codes_col_name = "{col_name_}entity_type" , return_only_first_detected_code = TRUE) attr(cockburn_detect_uspto, "@title") <- "Special USPTO codes. Codes as 'indiv'" ## --------<< USPTO special:1 ends here ## -------->> [[file:../nstandr.src.org::*Combined Cockburn Procedures][Combined Cockburn Procedures:1]] ##' Standardizes strings using exact procedures described in Cockburn, et al. (2009) ##' @param x table or vector ##' @param cockburn_procedures list of procedures to pass to `standardize` function. Default is `cockburn_procedures.list` ##' @param detect_legal_form Whether to detect legal forms. Default is FALSE ##' @param return_x_before_common_words_removal Whether to save standardized column before `common.words.removal` procedure. Default is FALSE ##' @inheritDotParams standardize ##' @return standardized names table ##' ##' @references Cockburn, et al. (2009) ##' ##' @md ##' @export standardize_cockburn <- function(x , cockburn_procedures = cockburn_procedures_table , detect_legal_form = FALSE , return_x_before_common_words_removal = FALSE , ... ) { if(is.data.frame(cockburn_procedures)) { cockburn_procedures <- standardize_make_procedures_list(cockburn_procedures) } ## do some tweaks on cockburn_procedures if(!detect_legal_form) { cockburn_procedures <- cockburn_procedures[ !(sapply(cockburn_procedures, `[[`, 1) %in% c("cockburn_detect_type", "cockburn_detect_uspto")) ] } if(return_x_before_common_words_removal) { cockburn_procedures[[ which(sapply(cockburn_procedures, `[[` , 1) %in% "cockburn_combabbrev") ]] <- list("cockburn_combabbrev", append_output_copy = TRUE) } standardize(x, cockburn_procedures, ...) } ## --------<< Combined Cockburn Procedures:1 ends here
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''' Derived from: https://github.com/jonasrothfuss/ProMP/blob/master/meta_policy_search/envs/mujoco_envs/ant_rand_goal.py However, the task is actually different. We are asking the ant to navigate to points on the perimeter of the circle, not inside the circle. ''' import numpy as np from collections import OrderedDict from gym import utils from rlkit.envs.meta_mujoco_env import MetaMujocoEnv from rlkit.envs.meta_task_params_sampler import MetaTaskParamsSampler class _BaseParamsSampler(MetaTaskParamsSampler): def __init__(self, goals, random=7823): super().__init__() if not isinstance(random, np.random.RandomState): random = np.random.RandomState(random) self._random = random self.goals = goals self._ptr = 0 def sample(self): p = self.goals[self._random.choice(self.goals.shape[0])] return {'goal_pos': p}, p def sample_unique(self, num): idxs = self._random.choice(self.goals.shape[0], size=num, replace=False) p_samples = self.goals[idxs] return list( map( lambda p: ({'goal_pos': p}, p), p_samples ) ) def __iter__(self): # dangerous self._ptr = 0 return self def __next__(self): if self._ptr == self.goals.shape[0]: self._ptr = 0 raise StopIteration p = self.goals[self._ptr] self._ptr += 1 return {'goal_pos': p}, p class _ExpertTrainParamsSampler(_BaseParamsSampler): def __init__(self, random=8819, num_samples=200): a = np.linspace(0, 2*np.pi, num=num_samples, endpoint=False) # is this in the original where you wanna sample inside the disc # r = 3 * np.random.random(num_tasks) ** 0.5 r = 2.0 goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) super().__init__(goals, random=random) class _ExpertTestParamsSampler(_BaseParamsSampler): def __init__(self, random=5322, num_samples=100): _random = np.random.RandomState(random) a = np.linspace(0, 2*np.pi, num=num_samples, endpoint=False) # a = _random.uniform(size=num_samples) * 2 * np.pi # is this in the original where you wanna sample inside the disc # r = 3 * np.random.random(num_tasks) ** 0.5 r = 2.0 goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) super().__init__(goals, random=random) class _Expert120DegreesParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=60): a = np.linspace(-np.pi/3.0, np.pi/3.0, num=num_samples, endpoint=True) # is this in the original where you wanna sample inside the disc # r = 3 * np.random.random(num_tasks) ** 0.5 r = 2.0 goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) super().__init__(goals, random=random) class _Expert60DegreesParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=30): a = np.linspace(0.0, np.pi/3.0, num=num_samples, endpoint=True) # is this in the original where you wanna sample inside the disc # r = 3 * np.random.random(num_tasks) ** 0.5 r = 2.0 goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) super().__init__(goals, random=random) class _ExpertMiddle60DegreesParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=30, r=2.0): a = np.linspace(np.pi/3.0, 2*np.pi/3.0, num=num_samples, endpoint=True) # is this in the original where you wanna sample inside the disc # r = 3 * np.random.random(num_tasks) ** 0.5 # r = 2.0 goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) super().__init__(goals, random=random) class _Expert2DirectionsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=2): goals = np.array( [ [2.0, 0.0], # [0.0, 2.0] [2**0.5, 2**0.5] ] ) super().__init__(goals, random=random) class _Expert45DegFartherParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=2): goals = np.array( [ [4.0, 0.0], # [0.0, 2.0] [8**0.5, 8**0.5] ] ) super().__init__(goals, random=random) class _Expert90DegApartParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=2): # radius 4 at 45 and 135 degrees goals = np.array( [ # [3.4, 3.4], # [-3.4, 3.4] [2.0, 0.0], [0.0, 2.0], ] ) super().__init__(goals, random=random) class _ExpertOpposite2DirectionsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=2): goals = np.array( [ [2.0, 0.0], # # [0.0, 2.0] [-2.0, 0.0] # [4.0, 0.0], # [-4.0, 0.0] ] ) super().__init__(goals, random=random) class _ExpertOneDirectionParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ # [4.0, 0.0], # [0.0, 4.0], # [0.0, -4.0], # [-4.0, 0.0] # [16.0, 0.0], # [0.0, 16.0], # [0.0, -16.0], [-16.0, 0.0] # [1.85, 0.77] # [0.77, 1.85] # [-0.77, 1.85] # [-1.85, 0.77] # [-1.85, -0.77] # [1.85, -0.77] # [-0.77, -1.85] ] ) # goals = np.array( # [ # # [ 1.96, 0.39], # # [ 1.66, 1.11], # # [ 1.11, 1.66], # # [ 0.39, 1.96], # # [-0.39, 1.96], # # [-1.11, 1.66], # # [-1.66, 1.11], # # [-1.96, 0.39], # # [-1.96, -0.39], # # [-1.66, -1.11], # # [-1.11, -1.66], # # [-0.39, -1.96], # # [ 0.39, -1.96], # # [ 1.11, -1.66], # # [ 1.66, -1.11], # # [ 1.96, -0.39] # # test tasks # # [ 1.99, 0.2 ], # # [ 1.76, 0.94], # # [ 1.27, 1.55], # # [ 0.58, 1.91], # # [-0.2 , 1.99], # # [-0.94, 1.76], # # [-1.55, 1.27], # # [-1.91, 0.58], # # [-1.99, -0.2 ], # # [-1.76, -0.94], # # [-1.27, -1.55], # # [-0.58, -1.91], # # [ 0.2 , -1.99], # # [ 0.94, -1.76], # # [ 1.55, -1.27], # # [ 1.91, -0.58] # ] # ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _ExpertLineParamsSampler(_BaseParamsSampler): def __init__(self, random=2837): a = np.linspace(-10.0, 10.0, num=21, endpoint=True) goals = np.stack((4 * np.ones(a.shape[0]), a), axis=-1) super().__init__(goals, random=random) class _ExpertFivePointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [2.0, 0.0], [1.41, 1.41], [0.0, 2.0], [-1.41, 1.41], [-2.0, 0.0] ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _ExpertEightPointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [2.0, 0.0], [1.41, 1.41], [0.0, 2.0], [-1.41, 1.41], [-2.0, 0.0], [-1.41, -1.41], [0.0, -2.0], [1.41, -1.41] ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _Expert16PointsTrainParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [2.0, 0.0], [1.41, 1.41], [0.0, 2.0], [-1.41, 1.41], [-2.0, 0.0], [-1.41, -1.41], [0.0, -2.0], [1.41, -1.41], [1.85, 0.77], [0.77, 1.85], [-0.77, 1.85], [-1.85, 0.77], [-1.85, -0.77], [-0.77, -1.85], [0.77, -1.85], [1.85, -0.77], ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _Expert16PointsTestParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [1.96, 0.39], [1.66, 1.11], [1.11, 1.66], [0.39, 1.96], [0.39, 1.96], [1.11, 1.66], [1.66, 1.11], [1.96, 0.39], [1.96, -0.39], [1.66, -1.11], [1.11, -1.66], [0.39, -1.96], [0.39, -1.96], [1.11, -1.66], [1.66, -1.11], [1.96, -0.39] ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _Expert32PointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [2.0, 0.0], [1.41, 1.41], [0.0, 2.0], [-1.41, 1.41], [-2.0, 0.0], [-1.41, -1.41], [0.0, -2.0], [1.41, -1.41], [1.85, 0.77], [0.77, 1.85], [-0.77, 1.85], [-1.85, 0.77], [-1.85, -0.77], [-0.77, -1.85], [0.77, -1.85], [1.85, -0.77], [1.96, 0.39], [1.66, 1.11], [1.11, 1.66], [0.39, 1.96], [0.39, 1.96], [1.11, 1.66], [1.66, 1.11], [1.96, 0.39], [1.96, -0.39], [1.66, -1.11], [1.11, -1.66], [0.39, -1.96], [0.39, -1.96], [1.11, -1.66], [1.66, -1.11], [1.96, -0.39] ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _ExpertTestTasksFor32PointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [ 1.99, 0.2 ], [ 1.76, 0.94], [ 1.27, 1.55], [ 0.58, 1.91], [-0.2 , 1.99], [-0.94, 1.76], [-1.55, 1.27], [-1.91, 0.58], [-1.99, -0.2 ], [-1.76, -0.94], [-1.27, -1.55], [-0.58, -1.91], [ 0.2 , -1.99], [ 0.94, -1.76], [ 1.55, -1.27], [ 1.91, -0.58] ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _Expert24PointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): r = 2.0 a = np.linspace(0, 2*np.pi, num=24, endpoint=False) goals = np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class _ExpertTwoPointsParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): goals = np.array( [ [1.41, 1.41], [-1.41, 1.41], ] ) print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class r_20_45to90_ParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): a = np.linspace(np.pi/4.0, np.pi/2.0, num=10, endpoint=True) goals = np.stack([np.cos(a), np.sin(a)], axis=1) goals *= 20.0 print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class r_20_90to135_ParamsSampler(_BaseParamsSampler): def __init__(self, random=2837, num_samples=1): a = np.linspace(np.pi/2.0, 3*np.pi/4.0, num=10, endpoint=True) goals = np.stack([np.cos(a), np.sin(a)], axis=1) goals *= 20.0 print('\n\n') print(goals) print('\n\n') super().__init__(goals, random=random) class AntRandGoalEnv(MetaMujocoEnv, utils.EzPickle): def __init__(self): self.goal_pos = np.array([1.41, 1.41]) # MetaMujocoEnv.__init__(self, 'ant.xml', 5) MetaMujocoEnv.__init__(self, 'low_gear_ratio_ant.xml', 5) utils.EzPickle.__init__(self) def sample_tasks(self, n_tasks): raise NotImplementedError() # a = np.random.random(n_tasks) * 2 * np.pi # r = 3 * np.random.random(n_tasks) ** 0.5 # return np.stack((r * np.cos(a), r * np.sin(a)), axis=-1) def step(self, a): self.do_simulation(a, self.frame_skip) xposafter = self.get_body_com("torso") l1_dist = np.sum(np.abs(xposafter[:2] - self.goal_pos)) l2_dist = np.sqrt(np.sum(np.square(xposafter[:2] - self.goal_pos))) # goal_reward = -np.sum(np.abs(xposafter[:2] - self.goal_pos)) # make it happy, not suicidal # goal_reward = -np.sum(np.square(xposafter[:2] - self.goal_pos)) # make it happy, not suicidal # goal_reward = -1.0 * l2_dist # make it happy, not suicidal # goal_reward = -1.0 * l1_dist # goal_reward = -1.0 * (l2_dist**2) goal_reward = -1.0 * l2_dist # ctrl_cost = .1 * np.square(a).sum() ctrl_cost = 0.5 * 1e-2 * np.square(a).sum() # contact_cost = 0.5 * 1e-3 * np.sum(np.square(np.clip(self.sim.data.cfrc_ext, -1, 1))) contact_cost = 0.0 # survive_reward = 1.0 survive_reward = 0.0 # survive_reward = 4.0 reward = goal_reward - ctrl_cost - contact_cost + survive_reward # if l2_dist < 0.5: # reward = 1.0 # else: # reward = 0.0 state = self.state_vector() # notdone = np.isfinite(state).all() and 1.0 >= state[2] >= 0. # done = not notdone done = False ob = self._get_obs() return ob, reward, done, dict( l1_dist=l1_dist, l2_dist=l2_dist, reward_forward=goal_reward, reward_ctrl=-ctrl_cost, reward_contact=-contact_cost, reward_survive=survive_reward) def _get_obs(self): # obs = np.concatenate([ # self.sim.data.qpos.flat, # self.sim.data.qvel.flat, # self.get_body_com("torso")[:2].flat # ]) # version used in SMILe experiments obs = np.concatenate([ self.sim.data.qpos.flat, self.sim.data.qvel.flat, # np.clip(self.sim.data.cfrc_ext, -1, 1).flat, self.get_body_com("torso").flat ]) # print('---') # print(self.get_body_com("torso")) # print(np.array(self.get_body_com("torso").flat)) # print(np.concatenate([self.get_body_com("torso").flat])) # print(obs) return { 'obs': obs.copy(), 'obs_task_params': self.goal_pos.copy() } def reset_model(self): qpos = self.init_qpos + self.np_random.uniform(size=self.model.nq, low=-.1, high=.1) qvel = self.init_qvel + self.np_random.randn(self.model.nv) * .1 self.set_state(qpos, qvel) return self._get_obs() def viewer_setup(self): self.viewer.cam.distance = self.model.stat.extent * 0.5 def reset(self, task_params=None, obs_task_params=None): if task_params is None: self.goal_pos = self.sample_tasks(1)[0] else: self.goal_pos = task_params['goal_pos'] obs = super().reset() return obs @property def task_identifier(self): return tuple(self.goal_pos) def task_id_to_obs_task_params(self, task_id): return np.array(task_id) def task_id_to_task_params(self, task_id): return {'goal_pos': np.array(task_id)} def log_statistics(self, paths): # this is run so rarely that it doesn't matter if it's a little inefficient progs = [np.mean([d["l1_dist"] for d in path["env_infos"]]) for path in paths] last_100_dists = [np.mean([d["l1_dist"] for d in path["env_infos"]][-100:]) for path in paths] min_dists = [np.min([d["l1_dist"] for d in path["env_infos"]]) for path in paths] ctrl_cost = [-np.mean([d["reward_ctrl"] for d in path["env_infos"]]) for path in paths] contact_cost = [-np.mean([d["reward_contact"] for d in path["env_infos"]]) for path in paths] l2_min_dists = [np.min([d["l2_dist"] for d in path["env_infos"]]) for path in paths] l2_last_100_dists = [np.mean([d["l2_dist"] for d in path["env_infos"]][-100:]) for path in paths] return_dict = OrderedDict() return_dict['AverageClosest'] = np.mean(min_dists) return_dict['MaxClosest'] = np.max(min_dists) return_dict['MinClosest'] = np.min(min_dists) return_dict['StdClosest'] = np.std(min_dists) return_dict['AverageLast100'] = np.mean(last_100_dists) return_dict['MaxLast100'] = np.max(last_100_dists) return_dict['MinLast100'] = np.min(last_100_dists) return_dict['StdLast100'] = np.std(last_100_dists) return_dict['AverageForwardReturn'] = np.mean(progs) return_dict['MaxForwardReturn'] = np.max(progs) return_dict['MinForwardReturn'] = np.min(progs) return_dict['StdForwardReturn'] = np.std(progs) return_dict['AverageCtrlCost'] = np.mean(ctrl_cost) return_dict['AverageContactCost'] = np.mean(contact_cost) return_dict['L2AverageClosest'] = np.mean(l2_min_dists) return_dict['L2MaxClosest'] = np.max(l2_min_dists) return_dict['L2MinClosest'] = np.min(l2_min_dists) return_dict['L2StdClosest'] = np.std(l2_min_dists) return_dict['L2AverageLast100'] = np.mean(l2_last_100_dists) return_dict['L2MaxLast100'] = np.max(l2_last_100_dists) return_dict['L2MinLast100'] = np.min(l2_last_100_dists) return_dict['L2StdLast100'] = np.std(l2_last_100_dists) return return_dict if __name__ == "__main__": # e = _ExpertTrainParamsSampler(num_samples=200) e = _ExpertTestParamsSampler(num_samples=200) print(e.goals) print(e.sample()) print(e.sample()) print(e.sample()) print(e.sample()) p1 = e.sample()[1] p2 = e.sample()[1] print(np.linalg.norm(p1 - p2)) p1 = e.sample()[1] p2 = e.sample()[1] print(np.linalg.norm(p1 - p2)) # print(e.sample_unique(10)) # env = AntRandGoalEnv() # while True: # env.reset() # print(env.goal_pos) # for _ in range(100): # # env.render() # obs, reward, _, _ = env.step(env.action_space.sample()) # take a random action
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from BPTK_Py import Agent, Event import numpy as np class MovingPerson(Agent): STATES = ["HEALTHY", "INFECTED_LIGHT", "INFECTED_HARD", "DEAD", "RECOVERED"] MOVING_LIST = [[0, 0], [0, -1], [0, 1], [-1, 0], [1, 0], [1, -1], [1, 1], [-1, 1], [-1, -1]] def initialize(self): self.state = np.random.choice(self.STATES, p=[0.8, 0.16, 0.04, 0, 0]) self.register_event_handler(self.STATES, "infection_hard", self.handle_infection_hard_event) self.register_event_handler(self.STATES, "infection_light", self.handle_infection_light_event) found = False while not found: foundOne = False position =(np.random.randint(20),np.random.randint(20)) for agent in self.model.agents: if agent == self: continue if agent.position == position: foundOne = True break if not foundOne: found = True self.position = position def handle_infection_hard_event(self, event): if self.state == "HEALTHY": self.state = "INFECTED_HARD" def handle_infection_light_event(self, event): if self.state == "HEALTHY": self.state = "INFECTED_LIGHT" def act(self, time, round_no, step_no): if self.state == "HEALTHY": self.move() elif self.state == "DEAD": pass elif self. if self.state == "INFECTED_LIGHT": # or self.state == "INFECTED_HARD": infected_contacts = 0 for i in range(0, self.model.contact_rate): if np.random.choice(["HEALTHY", "INFECTED"], p=[1 - self.model.infectivity, self.model.infectivity]) \ == "INFECTED": infected_contacts += 1 self.infected = infected_contacts infected_light = round(0.8 * infected_contacts) infected_hard = round(0.2 * infected_contacts) event_factory_hard = lambda agent_id: Event("infection_hard", self.id, agent_id, data=None) event_factory_light = lambda agent_id: Event("infection_light", self.id, agent_id, data=None) self.model.random_events("person", infected_hard, event_factory_hard) self.model.random_events("person", infected_light, event_factory_light) def move(self): position_found = 0 found = False while not found: indices = [i for i in range(0, len(self.MOVING_LIST))] moving = self.MOVING_LIST[np.random.choice(indices)] position_found = (self.position[0]+moving[0], self.position[1]+moving[1]) if position_found[0] >= 0 and position_found[0]<=20 and \ position_found[1] >= 0 and position_found[1] <=20: found = True break self.position = position_found def find_neighbors(self): position = 0 neighbors_list = [] for moving_element in self.MOVING_LIST: position = (self.position[0]+moving_element[0], self.position[1]+moving_element[1]) for agent in self.model.agents: if agent == self: continue if agent.position == position: neighbors_list.append(agent.position) return neighbors_list def check_infected(self, neighbors): for agent in self.model.agents: if agent == self: continue if agent.position in neighbors: if agent.state == "INFECTED": self.state = "INFECTED" self.model.infected += 1 print("Waaah I got infected") self.infected = 1 break def infect_neighbors(self,neighbors): for agent in self.model.agents: if agent == self: continue if agent.position in neighbors: agent.state = "INFECTED"
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[STATEMENT] lemma fin_cut_same_Cons[simp]: "fin_cut_same x (y # xs) = (if fin_cut_same x xs = [] then if x = y then [] else [y] else y # fin_cut_same x xs)" [PROOF STATE] proof (prove) goal (1 subgoal): 1. fin_cut_same x (y # xs) = (if fin_cut_same x xs = [] then if x = y then [] else [y] else y # fin_cut_same x xs) [PROOF STEP] unfolding fin_cut_same_def Least_fin_cut_same [PROOF STATE] proof (prove) goal (1 subgoal): 1. take (length (y # xs) - length (takeWhile (\<lambda>xa. xa = x) (rev (y # xs)))) (y # xs) = (if take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs = [] then if x = y then [] else [y] else y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs) [PROOF STEP] apply auto [PROOF STATE] proof (prove) goal (4 subgoals): 1. \<lbrakk>x = y; length xs \<le> length (takeWhile (\<lambda>x. x = y) (rev xs))\<rbrakk> \<Longrightarrow> Suc (length xs) \<le> length (takeWhile (\<lambda>x. x = y) (rev xs @ [y])) 2. \<lbrakk>x = y; \<not> length xs \<le> length (takeWhile (\<lambda>x. x = y) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>x. x = y) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>x. x = y) (rev xs))) xs 3. \<lbrakk>x \<noteq> y; length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs))\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 4. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (simp add: takeWhile_takes_all) [PROOF STATE] proof (prove) goal (3 subgoals): 1. \<lbrakk>x = y; \<not> length xs \<le> length (takeWhile (\<lambda>x. x = y) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>x. x = y) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>x. x = y) (rev xs))) xs 2. \<lbrakk>x \<noteq> y; length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs))\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 3. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (simp add: takeWhile_takes_all) [PROOF STATE] proof (prove) goal (3 subgoals): 1. \<lbrakk>x = y; \<exists>x\<in>set xs. x \<noteq> y; xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>x. x = y) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>x. x = y) (rev xs))) xs 2. \<lbrakk>x \<noteq> y; length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs))\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 3. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply auto [PROOF STATE] proof (prove) goal (3 subgoals): 1. \<And>xa. \<lbrakk>x = y; xs \<noteq> []; xa \<in> set xs; xa \<noteq> y\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>x. x = y) (rev xs))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>x. x = y) (rev xs))) xs 2. \<lbrakk>x \<noteq> y; length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs))\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 3. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (metis (full_types) Suc_diff_le length_rev length_takeWhile_le take_Suc_Cons) [PROOF STATE] proof (prove) goal (2 subgoals): 1. \<lbrakk>x \<noteq> y; length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs))\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 2. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (simp add: takeWhile_takes_all) [PROOF STATE] proof (prove) goal (2 subgoals): 1. \<lbrakk>x \<noteq> y; \<forall>xa\<in>set xs. xa = x\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = [y] 2. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (subst takeWhile_append2) [PROOF STATE] proof (prove) goal (3 subgoals): 1. \<And>xa. \<lbrakk>x \<noteq> y; \<forall>xa\<in>set xs. xa = x; xa \<in> set (rev xs)\<rbrakk> \<Longrightarrow> xa = x 2. \<lbrakk>x \<noteq> y; \<forall>xa\<in>set xs. xa = x\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (rev xs @ takeWhile (\<lambda>xa. xa = x) [y])) (y # xs) = [y] 3. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply auto [PROOF STATE] proof (prove) goal (1 subgoal): 1. \<lbrakk>x \<noteq> y; \<not> length xs \<le> length (takeWhile (\<lambda>xa. xa = x) (rev xs)); xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (simp add: takeWhile_takes_all) [PROOF STATE] proof (prove) goal (1 subgoal): 1. \<lbrakk>x \<noteq> y; \<exists>xa\<in>set xs. xa \<noteq> x; xs \<noteq> []\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs @ [y]))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply auto [PROOF STATE] proof (prove) goal (1 subgoal): 1. \<And>xa. \<lbrakk>x \<noteq> y; xs \<noteq> []; xa \<in> set xs; xa \<noteq> x\<rbrakk> \<Longrightarrow> take (Suc (length xs) - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) (y # xs) = y # take (length xs - length (takeWhile (\<lambda>xa. xa = x) (rev xs))) xs [PROOF STEP] apply (metis (full_types) Suc_diff_le length_rev length_takeWhile_le take_Suc_Cons) [PROOF STATE] proof (prove) goal: No subgoals! [PROOF STEP] done
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import pandas as pd import numpy as np import torch from tqdm import tqdm from rdkit import Chem from rdkit.Chem import AllChem from torch.utils.data import DataLoader, Dataset #from mordred import Calculator, descriptors, TopoPSA,Weight, CarbonTypes,SLogP, MoeType from rdkit import Chem from tqdm import tqdm from rdkit.Chem.rdmolops import GetAdjacencyMatrix from scipy.linalg import block_diag from scipy import stats from rdkit import RDLogger def get_fingerprints_user(data, label ,bitSize_circular=2048, morgan_radius=2): index_not_convertable = [] """ Computes the Fingerprints from Molecules """ # if label is string get colum number #Disable printing Warnings RDLogger.DisableLog('rdApp.*') feature_matrix= pd.DataFrame(np.zeros((data.shape[0],bitSize_circular)), dtype=int) for i in tqdm(range(data.shape[0])): try: feature_matrix.iloc[i,:] = np.array(AllChem.GetMorganFingerprintAsBitVect(Chem.MolFromSmiles(data.iloc[i, label]),morgan_radius,nBits=bitSize_circular)) except: feature_matrix.iloc[i,:] = 0 index_not_convertable.append(i) RDLogger.EnableLog('rdApp.*') if len(index_not_convertable)> 0: print("\n",len(index_not_convertable), " Molecules could not be read.") return feature_matrix, index_not_convertable def get_fingerprints(data, bitSize_circular=2048, labels_default=None , labels_morgan=None, morgan_radius=2): """ Computes the Fingerprints from Molecules """ feature_matrix= pd.DataFrame(np.zeros((data.shape[0],bitSize_circular)), dtype=int) for i in tqdm(range(data.shape[0])): feature_matrix.iloc[i,:] = np.array(AllChem.GetMorganFingerprintAsBitVect(Chem.MolFromSmiles(data.smiles.iloc[i]),morgan_radius,nBits=bitSize_circular)) return(feature_matrix) class FPAutoencoder_Dataset(Dataset): def __init__(self,fingerprint, np, npl): self.len = fingerprint.shape[0] self.fingerprint=(torch.tensor(fingerprint.values, dtype=torch.float)) self.np = torch.tensor(np, dtype = torch.float) self.npl = torch.tensor(npl, dtype = torch.float) def __getitem__(self, index): return self.fingerprint[index], self.np[index], self.npl[index] def __len__(self): return self.len class GraphDataset(Dataset): def __init__(self,feature, adjacency, target_reg, target_clf ): self.len = len(adjacency) self.adjacency = [torch.tensor(adj, dtype=torch.float) for adj in adjacency] self.feature = [torch.tensor(feat.values, dtype=torch.float) for feat in feature] self.target_reg = torch.tensor(target_reg, dtype=torch.float) self.target_clf = torch.tensor(target_clf, dtype=torch.float) def __getitem__(self, index): return self.feature[index], self.adjacency[index], self.adjacency[index].shape[0], self.target_reg[index], self.target_clf[index] def __len__(self): return self.len def graph_collate(batch): feat = [item[0] for item in batch ] adj = [item[1] for item in batch ] sep_list = [item[2] for item in batch ] target_reg = torch.stack([item[3] for item in batch ]) target_clf = torch.stack([item[4] for item in batch ]) adj = torch.tensor(block_diag(*adj), dtype=(torch.float)) feat = torch.cat(feat, dim=0) return [feat, adj, sep_list], target_reg, target_clf.unsqueeze(1) def create_gcn_features(smiles): print( "\n Generating Graph Conv Features ... \n") # get Rdkit Molecules mols=[Chem.MolFromSmiles(x) for x in smiles] #mols= mols+maskri_mol #atom type atom_dummy=pd.get_dummies([atom.GetAtomicNum() for x in mols for atom in x.GetAtoms() ]) #degree degree=pd.get_dummies([atom.GetDegree() for x in mols for atom in x.GetAtoms()]) degree.columns=[ "degree_"+str(i) for i in range(degree.shape[1])] #Get Hybridization hy=[atom.GetHybridization() for x in mols for atom in x.GetAtoms()] hybridization=pd.get_dummies(hy) hybridization.columns=[ "hybrid_"+str(i) for i in range(hybridization.shape[1])] #aromaticity aromaticity =pd.get_dummies([atom.GetIsAromatic() for x in mols for atom in x.GetAtoms()]) aromaticity=aromaticity.drop([0], axis=1) aromaticity.columns= ["InAromatic"] #formal charge formal_charge=pd.get_dummies([atom.GetFormalCharge() for x in mols for atom in x.GetAtoms()]) formal_charge.columns=[ "charge_"+str(i) for i in range(formal_charge.shape[1])] #formal charge implicit_valence=pd.get_dummies([atom.GetImplicitValence() for x in mols for atom in x.GetAtoms()]) implicit_valence.columns=[ "implicit_valence_"+str(i) for i in range(implicit_valence.shape[1])] #GetNumRadicalElectrons( chirality=pd.get_dummies([atom.GetChiralTag () for x in mols for atom in x.GetAtoms()]) chirality.columns=[ "chirality_"+str(i) for i in range(chirality.shape[1])] #get protons num_h=pd.get_dummies([atom.GetNumImplicitHs() for x in mols for atom in x.GetAtoms()]) num_h.columns=[ "num_h_"+str(i) for i in range(num_h.shape[1])] #concatenat features atom_features=pd.concat([atom_dummy,degree,num_h,chirality, implicit_valence,formal_charge,aromaticity, hybridization],axis=1) #usse only atom type to predict #atom_features=atom_dummy #generate Adjacency and Feature Matrix adjs=[None]*len(mols) feat=[None]*len(mols) index=0 for i in range(len(mols)): A = GetAdjacencyMatrix(mols[i]) adjs[i]=norm_adj(A) feat[i]=atom_features.iloc[index:(index+A.shape[0]),:].reset_index(drop=True) index+=A.shape[0] return adjs, feat class FPDataset(Dataset): def __init__(self,fingerprint, target_reg, target_clf ): self.len = fingerprint.shape[0] self.fingerprint=(torch.tensor(fingerprint.values, dtype=torch.float)) self.target_reg = torch.tensor(target_reg, dtype=torch.float) self.target_clf = torch.tensor(target_clf, dtype=torch.float) def __getitem__(self, index): return self.fingerprint[index], self.target_reg[index], self.target_clf[index] def __len__(self): return self.len # ============================================================================= # def comp_descriptors(smiles): # mols = [Chem.MolFromSmiles(smile) for smile in smiles ] # calc = Calculator() # calc.register(MoeType.EState_VSA(1)) # calc.register(MoeType.EState_VSA(2)) # calc.register(MoeType.EState_VSA(3)) # calc.register(MoeType.EState_VSA(4)) # calc.register(MoeType.EState_VSA(5)) # calc.register(MoeType.EState_VSA(6)) # calc.register(MoeType.EState_VSA(7)) # calc.register(MoeType.EState_VSA(8)) # calc.register(MoeType.EState_VSA(9)) # calc.register(MoeType.EState_VSA(10)) # calc.register(MoeType.EState_VSA(11)) # # calc.register(MoeType.PEOE_VSA(1)) # calc.register(MoeType.PEOE_VSA(2)) # calc.register(MoeType.PEOE_VSA(3)) # calc.register(MoeType.PEOE_VSA(4)) # calc.register(MoeType.PEOE_VSA(5)) # calc.register(MoeType.PEOE_VSA(6)) # calc.register(MoeType.PEOE_VSA(7)) # calc.register(MoeType.PEOE_VSA(8)) # calc.register(MoeType.PEOE_VSA(9)) # calc.register(MoeType.PEOE_VSA(10)) # calc.register(MoeType.PEOE_VSA(11)) # calc.register(MoeType.PEOE_VSA(12)) # calc.register(MoeType.PEOE_VSA(13)) # calc.register(MoeType.PEOE_VSA(14)) # # calc.register(MoeType.SMR_VSA(1)) # calc.register(MoeType.SMR_VSA(2)) # calc.register(MoeType.SMR_VSA(3)) # calc.register(MoeType.SMR_VSA(4)) # calc.register(MoeType.SMR_VSA(5)) # calc.register(MoeType.SMR_VSA(6)) # calc.register(MoeType.SMR_VSA(7)) # calc.register(MoeType.SMR_VSA(8)) # calc.register(MoeType.SMR_VSA(9)) # calc.register(MoeType.SMR_VSA(10)) # # calc.register(MoeType.SlogP_VSA(1)) # calc.register(MoeType.SlogP_VSA(2)) # calc.register(MoeType.SlogP_VSA(3)) # calc.register(MoeType.SlogP_VSA(4)) # calc.register(MoeType.SlogP_VSA(5)) # calc.register(MoeType.SlogP_VSA(6)) # calc.register(MoeType.SlogP_VSA(7)) # calc.register(MoeType.SlogP_VSA(8)) # calc.register(MoeType.SlogP_VSA(9)) # calc.register(MoeType.SlogP_VSA(10)) # calc.register(MoeType.SlogP_VSA(11)) # calc.register(MoeType.SlogP_VSA(12)) # # # calc.register(TopoPSA.TopoPSA(no_only=False)) # # return calc.pandas(mols) # # ============================================================================= def calculate_sensitivity_specificity(y_test, y_pred_test): # Note: More parameters are defined than necessary. # This would allow return of other measures other than sensitivity and specificity # Get true/false for whether a breach actually occurred actual_pos = y_test == 1 actual_neg = y_test == 0 # Get true and false test (true test match actual, false tests differ from actual) true_pos = (y_pred_test == 1) & (actual_pos) false_pos = (y_pred_test == 1) & (actual_neg) true_neg = (y_pred_test == 0) & (actual_neg) false_neg = (y_pred_test == 0) & (actual_pos) # Calculate accuracy accuracy = np.mean(y_pred_test == y_test) # Calculate sensitivity and specificity sensitivity = np.sum(true_pos) / np.sum(actual_pos) specificity = np.sum(true_neg) / np.sum(actual_neg) return sensitivity, specificity, accuracy def norm_adj(x): """Normalizes Adjacency Matrix Parameters ---------- x : matrix adjacency matrix Returns ------- normlized adjacency matrix """ x_hat=x+np.eye(x.shape[0]) D_inv=np.diag(np.array(np.sum(x_hat, axis=1))**(-0.5)) return(np.matmul(np.matmul(D_inv,x_hat), D_inv)) def mean_confidence_interval(data, confidence=0.95): a = 1.0 * np.array(data) n = len(a) m, se = np.mean(a), stats.sem(a) h = se * stats.t.ppf((1 + confidence) / 2., n-1) return m, h
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import pytest import numpy as np import inspect import random from graphgraph import operators as op class LaplacianConstraintError(RuntimeError): pass class LaplacianConstraints: def __init__(self, in_matrix): self.in_matrix = in_matrix self.validate() def is_symmetric(self): if not np.all(self.in_matrix == self.in_matrix.T): raise LaplacianConstraintError("input matrix is not symmetric") def is_diagonal_nonnegative(self): if not np.all(np.diag(self.in_matrix) >= 0): raise LaplacianConstraintError("diagonal elements are not all nonnegative") def is_off_diagonal_nonpositive(self): if not np.all( self.in_matrix[np.triu_indices(n=self.in_matrix.shape[0], k=1)] <= 0 ): raise LaplacianConstraintError( "off-diagonal elements are not all nonpositive" ) def is_row_sum_zero(self): if not np.all(np.abs(np.sum(self.in_matrix, axis=0)) < 1e-9): raise LaplacianConstraintError("row sum is not identically zero") def validate(self): constraints = [ m[1] for m in inspect.getmembers( LaplacianConstraints, predicate=inspect.isfunction ) if m[0].startswith("is") ] for c in constraints: c(self) def test_laplacian_operator(): p = random.randint(a=3, b=100) weights = np.random.uniform(size=int(0.5 * p * (p - 1))) LaplacianConstraints(op.laplacian_op(weights)).validate() @pytest.mark.parametrize( "inv_op_name, op_name", [(op.inv_laplacian_op, op.laplacian_op), (op.inv_adjacency_op, op.adjacency_op)], ) def test_inverse_operators(inv_op_name, op_name): weights = np.random.uniform(size=6) weights_ = inv_op_name(op_name(weights)) np.testing.assert_allclose(weights, weights_) @pytest.mark.parametrize( "adj_op_name, op_name", [(op.adj_laplacian_op, op.laplacian_op), (op.adj_adjacency_op, op.adjacency_op)], ) def test_adjoint_operators(adj_op_name, op_name): "test the inner product equality between the linear operator and its adjoint" p = random.randint(a=3, b=100) X = np.random.uniform(size=p * p).reshape((p, p)) weights = np.random.uniform(size=int(0.5 * p * (p - 1))) np.testing.assert_almost_equal( np.sum(X * op_name(weights)), np.sum(weights * adj_op_name(X)) )
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import logging import os import random import traceback from datetime import date from pathlib import Path from typing import Optional, Union import numpy as np import requests import torch import torch.nn as nn from rxnebm.model import FF, G2E, S2E, model_utils def setup_paths( load_trained: Optional[bool] = False, date_trained: Optional[str] = None, ckpt_root: Optional[Union[str, bytes, os.PathLike]] = None, ) -> Union[str, bytes, os.PathLike]: """ Parameters ---------- root : Union[str, bytes, os.PathLike] (Default = None) path to the root folder where checkpoints will be stored If None, this is set to full/path/to/rxnebm/checkpoints/ """ if load_trained: if date_trained is None: raise ValueError("Please provide date_trained as DD_MM_YYYY") else: date_trained = date.today().strftime("%d_%m_%Y") if ckpt_root is None: ckpt_root = Path(__file__).resolve().parents[1] / "checkpoints" else: ckpt_root = Path(ckpt_root) checkpoint_folder = ckpt_root / date_trained os.makedirs(checkpoint_folder, exist_ok=True) print(f"created checkpoint_folder: {checkpoint_folder}") return checkpoint_folder def load_or_create_vocab(args): """Currently only supports loading. The vocab is small enough that a single universal vocab suffices""" root = Path(__file__).resolve().parents[1] / "data" / "cleaned_data" vocab = {} with open(root / args.vocab_file, "r") as f: for i, line in enumerate(f): token = line.strip() vocab[token] = i return vocab def load_model_and_opt( args, checkpoint_folder: Union[str, bytes, os.PathLike], optimizer_name: str = "Adam", ): curr_device = torch.device("cuda" if torch.cuda.is_available() else "cpu") checkpoint_filename = f'{args.model_name}_{args.old_expt_name}_checkpoint.pth.tar' checkpoint = torch.load( Path(checkpoint_folder) / checkpoint_filename, map_location=torch.device(curr_device), ) print(f"loaded checkpoint from {Path(checkpoint_folder) / checkpoint_filename}") begin_epoch = checkpoint["epoch"] + 1 if args.model_name == "FeedforwardEBM": saved_model = FF.FeedforwardEBM(args) elif args.model_name == "GraphEBM_1MPN": # Graph to energy, project both reactants & products w/ dot product output saved_model = G2E.GraphEBM_1MPN(args) elif args.model_name == "GraphEBM_2MPN": # Graph to energy, separate encoders + projections, feedforward output saved_model = G2E.GraphEBM_2MPN(args) elif args.model_name == "TransformerEBM": assert args.vocab_file is not None, "Please provide precomputed --vocab_file!" vocab = load_or_create_vocab(args) saved_model = S2E.TransformerEBM(args, vocab) else: raise ValueError("Unrecognized model name") saved_optimizer = model_utils.get_optimizer(optimizer_name)( saved_model.parameters(), lr=args.learning_rate, weight_decay=args.weight_decay ) # https://discuss.pytorch.org/t/missing-keys-unexpected-keys-in-state-dict-when-loading-self-trained-model/22379/14 for key in list(checkpoint["state_dict"].keys()): if 'module.' in key: checkpoint["state_dict"][key.replace('module.', '')] = checkpoint["state_dict"][key] del checkpoint["state_dict"][key] saved_model.load_state_dict(checkpoint["state_dict"]) saved_optimizer.load_state_dict(checkpoint["optimizer"]) print('Loaded model and optimizer state dicts') if torch.cuda.is_available() and not args.ddp: # if ddp, need to move within each process # move optimizer tensors to gpu https://github.com/pytorch/pytorch/issues/2830 for state in saved_optimizer.state.values(): for k, v in state.items(): if torch.is_tensor(v): state[k] = v.cuda() return saved_model, saved_optimizer, begin_epoch def send_message(msg, chat_id, bot_token): """ params: ------- msg: message you want to receive chat_id: CHAT_ID bot_token: API_KEY of your bot """ url = f'https://api.telegram.org/bot{bot_token}/sendMessage' data = {'chat_id': str(chat_id), 'text': f'{msg}'} requests.post(url, data)
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module concurrency_api use :: event_module, only : event use :: event_handler_module, only : event_handler use :: stream_module, only : stream use :: stream_handler_module, only : stream_handler use :: dependency_manager_module, only : dependency_manager use :: abstract_concurrency_factory_module, only : abstract_concurrency_factory implicit none private public :: event public :: event_handler public :: stream public :: stream_handler public :: dependency_manager public :: abstract_concurrency_factory public :: concurrency_factory public :: concurrency_initialize public :: concurrency_finalize class(abstract_concurrency_factory), allocatable :: concurrency_factory contains subroutine concurrency_initialize(factory) class(abstract_concurrency_factory), intent(in) :: factory concurrency_factory = factory end subroutine concurrency_initialize subroutine concurrency_finalize() if ( allocated(concurrency_factory) ) then call concurrency_factory%cleanup() deallocate(concurrency_factory) end if end subroutine concurrency_finalize end module concurrency_api
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''' Basic test installation is working ''' import collections import numpy as np import pytest from OscopeBootstrap import SyntheticDataset from OscopeBootstrap.oscope_tf import bootstrap_hypothesis_test DataParameters = collections.namedtuple('DataParameters', 'ngroups NG N G noiselevel') @pytest.fixture def dataset_options() -> DataParameters: return DataParameters( ngroups=3, NG=3, # number of genes in group G=100, # total number of genes N=5, # number of cells noiselevel=1, ) @pytest.fixture def dataset_generation(dataset_options): data, phaseG, angularSpeed = SyntheticDataset.GetSimISyntheticData(NG=dataset_options.NG, G=dataset_options.G, N=dataset_options.N, noiseLevel=dataset_options.noiselevel, ngroups=dataset_options.ngroups) return data, phaseG, angularSpeed def test_generation(dataset_options, dataset_generation): data, phaseG, angularSpeed = dataset_generation assert data.shape == (dataset_options.G, dataset_options.N) assert phaseG.shape == (dataset_options.G, ) # phase for each gene assert angularSpeed.shape == (dataset_options.G, ) assert np.all(~np.isnan(data))
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# Boltzmann Machines Why use a generative model rather than the more well known discriminative deep neural networks (DNN)? * Discriminitave methods have several limitations: They are mainly supervised learning methods, thus requiring labeled data. And there are tasks they cannot accomplish, like drawing new examples from an unknown probability distribution. * A generative model can learn to represent and sample from a probability distribution. The core idea is to learn a parametric model of the probability distribution from which the training data was drawn. As an example a. A model for images could learn to draw new examples of cats and dogs, given a training dataset of images of cats and dogs. b. Generate a sample of an ordered or disordered Ising model phase, having been given samples of such phases. c. Model the trial function for Monte Carlo calculations 4. Both use gradient-descent based learning procedures for minimizing cost functions 5. Energy based models don't use backpropagation and automatic differentiation for computing gradients, instead turning to Markov Chain Monte Carlo methods. 6. DNNs often have several hidden layers. A restricted Boltzmann machine has only one hidden layer, however several RBMs can be stacked to make up Deep Belief Networks, of which they constitute the building blocks. History: The RBM was developed by amongst others Geoffrey Hinton, called by some the "Godfather of Deep Learning", working with the University of Toronto and Google. A BM is what we would call an undirected probabilistic graphical model with stochastic continuous or discrete units. It is interpreted as a stochastic recurrent neural network where the state of each unit(neurons/nodes) depends on the units it is connected to. The weights in the network represent thus the strength of the interaction between various units/nodes. It turns into a Hopfield network if we choose deterministic rather than stochastic units. In contrast to a Hopfield network, a BM is a so-called generative model. It allows us to generate new samples from the learned distribution. A standard BM network is divided into a set of observable and visible units $\hat{x}$ and a set of unknown hidden units/nodes $\hat{h}$. Additionally there can be bias nodes for the hidden and visible layers. These biases are normally set to $1$. BMs are stackable, meaning they cwe can train a BM which serves as input to another BM. We can construct deep networks for learning complex PDFs. The layers can be trained one after another, a feature which makes them popular in deep learning However, they are often hard to train. This leads to the introduction of so-called restricted BMs, or RBMS. Here we take away all lateral connections between nodes in the visible layer as well as connections between nodes in the hidden layer. The network is illustrated in the figure below. <!-- dom:FIGURE: [figures/RBM.png, width=800 frac=1.0] --> <!-- begin figure --> <p style="font-size: 0.9em"><i>Figure 1: </i></p><!-- end figure --> ## The network **The network layers**: 1. A function $\mathbf{x}$ that represents the visible layer, a vector of $M$ elements (nodes). This layer represents both what the RBM might be given as training input, and what we want it to be able to reconstruct. This might for example be the pixels of an image, the spin values of the Ising model, or coefficients representing speech. 2. The function $\mathbf{h}$ represents the hidden, or latent, layer. A vector of $N$ elements (nodes). Also called "feature detectors". The goal of the hidden layer is to increase the model's expressive power. We encode complex interactions between visible variables by introducing additional, hidden variables that interact with visible degrees of freedom in a simple manner, yet still reproduce the complex correlations between visible degrees in the data once marginalized over (integrated out). Examples of this trick being employed in physics: 1. The Hubbard-Stratonovich transformation 2. The introduction of ghost fields in gauge theory 3. Shadow wave functions in Quantum Monte Carlo simulations **The network parameters, to be optimized/learned**: 1. $\mathbf{a}$ represents the visible bias, a vector of same length as $\mathbf{x}$. 2. $\mathbf{b}$ represents the hidden bias, a vector of same lenght as $\mathbf{h}$. 3. $W$ represents the interaction weights, a matrix of size $M\times N$. ### Joint distribution The restricted Boltzmann machine is described by a Bolztmann distribution <!-- Equation labels as ordinary links --> <div id="_auto1"></div> $$ \begin{equation} P_{rbm}(\mathbf{x},\mathbf{h}) = \frac{1}{Z} e^{-\frac{1}{T_0}E(\mathbf{x},\mathbf{h})}, \label{_auto1} \tag{1} \end{equation} $$ where $Z$ is the normalization constant or partition function, defined as <!-- Equation labels as ordinary links --> <div id="_auto2"></div> $$ \begin{equation} Z = \int \int e^{-\frac{1}{T_0}E(\mathbf{x},\mathbf{h})} d\mathbf{x} d\mathbf{h}. \label{_auto2} \tag{2} \end{equation} $$ It is common to ignore $T_0$ by setting it to one. ### Network Elements, the energy function The function $E(\mathbf{x},\mathbf{h})$ gives the **energy** of a configuration (pair of vectors) $(\mathbf{x}, \mathbf{h})$. The lower the energy of a configuration, the higher the probability of it. This function also depends on the parameters $\mathbf{a}$, $\mathbf{b}$ and $W$. Thus, when we adjust them during the learning procedure, we are adjusting the energy function to best fit our problem. An expression for the energy function is $$ E(\hat{x},\hat{h}) = -\sum_{ia}^{NA}b_i^a \alpha_i^a(x_i)-\sum_{jd}^{MD}c_j^d \beta_j^d(h_j)-\sum_{ijad}^{NAMD}b_i^a \alpha_i^a(x_i)c_j^d \beta_j^d(h_j)w_{ij}^{ad}. $$ Here $\beta_j^d(h_j)$ and $\alpha_i^a(x_j)$ are so-called transfer functions that map a given input value to a desired feature value. The labels $a$ and $d$ denote that there can be multiple transfer functions per variable. The first sum depends only on the visible units. The second on the hidden ones. **Note** that there is no connection between nodes in a layer. The quantities $b$ and $c$ can be interpreted as the visible and hidden biases, respectively. The connection between the nodes in the two layers is given by the weights $w_{ij}$. ### Defining different types of RBMs There are different variants of RBMs, and the differences lie in the types of visible and hidden units we choose as well as in the implementation of the energy function $E(\mathbf{x},\mathbf{h})$. **Binary-Binary RBM:** RBMs were first developed using binary units in both the visible and hidden layer. The corresponding energy function is defined as follows: <!-- Equation labels as ordinary links --> <div id="_auto3"></div> $$ \begin{equation} E(\mathbf{x}, \mathbf{h}) = - \sum_i^M x_i a_i- \sum_j^N b_j h_j - \sum_{i,j}^{M,N} x_i w_{ij} h_j, \label{_auto3} \tag{3} \end{equation} $$ where the binary values taken on by the nodes are most commonly 0 and 1. **Gaussian-Binary RBM:** Another varient is the RBM where the visible units are Gaussian while the hidden units remain binary: <!-- Equation labels as ordinary links --> <div id="_auto4"></div> $$ \begin{equation} E(\mathbf{x}, \mathbf{h}) = \sum_i^M \frac{(x_i - a_i)^2}{2\sigma_i^2} - \sum_j^N b_j h_j - \sum_{i,j}^{M,N} \frac{x_i w_{ij} h_j}{\sigma_i^2}. \label{_auto4} \tag{4} \end{equation} $$ 1. RBMs are Useful when we model continuous data (i.e., we wish $\mathbf{x}$ to be continuous) 2. Requires a smaller learning rate, since there's no upper bound to the value a component might take in the reconstruction Other types of units include: 1. Softmax and multinomial units 2. Gaussian visible and hidden units 3. Binomial units 4. Rectified linear units ### Cost function When working with a training dataset, the most common training approach is maximizing the log-likelihood of the training data. The log likelihood characterizes the log-probability of generating the observed data using our generative model. Using this method our cost function is chosen as the negative log-likelihood. The learning then consists of trying to find parameters that maximize the probability of the dataset, and is known as Maximum Likelihood Estimation (MLE). Denoting the parameters as $\boldsymbol{\theta} = a_1,...,a_M,b_1,...,b_N,w_{11},...,w_{MN}$, the log-likelihood is given by <!-- Equation labels as ordinary links --> <div id="_auto5"></div> $$ \begin{equation} \mathcal{L}(\{ \theta_i \}) = \langle \text{log} P_\theta(\boldsymbol{x}) \rangle_{data} \label{_auto5} \tag{5} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto6"></div> $$ \begin{equation} = - \langle E(\boldsymbol{x}; \{ \theta_i\}) \rangle_{data} - \text{log} Z(\{ \theta_i\}), \label{_auto6} \tag{6} \end{equation} $$ where we used that the normalization constant does not depend on the data, $\langle \text{log} Z(\{ \theta_i\}) \rangle = \text{log} Z(\{ \theta_i\})$ Our cost function is the negative log-likelihood, $\mathcal{C}(\{ \theta_i \}) = - \mathcal{L}(\{ \theta_i \})$ ### Optimization / Training The training procedure of choice often is Stochastic Gradient Descent (SGD). It consists of a series of iterations where we update the parameters according to the equation <!-- Equation labels as ordinary links --> <div id="_auto7"></div> $$ \begin{equation} \boldsymbol{\theta}_{k+1} = \boldsymbol{\theta}_k - \eta \nabla \mathcal{C} (\boldsymbol{\theta}_k) \label{_auto7} \tag{7} \end{equation} $$ at each $k$-th iteration. There are a range of variants of the algorithm which aim at making the learning rate $\eta$ more adaptive so the method might be more efficient while remaining stable. We now need the gradient of the cost function in order to minimize it. We find that <!-- Equation labels as ordinary links --> <div id="_auto8"></div> $$ \begin{equation} \frac{\partial \mathcal{C}(\{ \theta_i\})}{\partial \theta_i} = \langle \frac{\partial E(\boldsymbol{x}; \theta_i)}{\partial \theta_i} \rangle_{data} + \frac{\partial \text{log} Z(\{ \theta_i\})}{\partial \theta_i} \label{_auto8} \tag{8} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto9"></div> $$ \begin{equation} = \langle O_i(\boldsymbol{x}) \rangle_{data} - \langle O_i(\boldsymbol{x}) \rangle_{model}, \label{_auto9} \tag{9} \end{equation} $$ where in order to simplify notation we defined the "operator" <!-- Equation labels as ordinary links --> <div id="_auto10"></div> $$ \begin{equation} O_i(\boldsymbol{x}) = \frac{\partial E(\boldsymbol{x}; \theta_i)}{\partial \theta_i}, \label{_auto10} \tag{10} \end{equation} $$ and used the statistical mechanics relationship between expectation values and the log-partition function: <!-- Equation labels as ordinary links --> <div id="_auto11"></div> $$ \begin{equation} \langle O_i(\boldsymbol{x}) \rangle_{model} = \text{Tr} P_\theta(\boldsymbol{x})O_i(\boldsymbol{x}) = - \frac{\partial \text{log} Z(\{ \theta_i\})}{\partial \theta_i}. \label{_auto11} \tag{11} \end{equation} $$ The data-dependent term in the gradient is known as the positive phase of the gradient, while the model-dependent term is known as the negative phase of the gradient. The aim of the training is to lower the energy of configurations that are near observed data points (increasing their probability), and raising the energy of configurations that are far from observed data points (decreasing their probability). The gradient of the negative log-likelihood cost function of a Binary-Binary RBM is then <!-- Equation labels as ordinary links --> <div id="_auto12"></div> $$ \begin{equation} \frac{\partial \mathcal{C} (w_{ij}, a_i, b_j)}{\partial w_{ij}} = \langle x_i h_j \rangle_{data} - \langle x_i h_j \rangle_{model} \label{_auto12} \tag{12} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto13"></div> $$ \begin{equation} \frac{\partial \mathcal{C} (w_{ij}, a_i, b_j)}{\partial a_{ij}} = \langle x_i \rangle_{data} - \langle x_i \rangle_{model} \label{_auto13} \tag{13} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto14"></div> $$ \begin{equation} \frac{\partial \mathcal{C} (w_{ij}, a_i, b_j)}{\partial b_{ij}} = \langle h_i \rangle_{data} - \langle h_i \rangle_{model}. \label{_auto14} \tag{14} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto15"></div> $$ \begin{equation} \label{_auto15} \tag{15} \end{equation} $$ To get the expectation values with respect to the *data*, we set the visible units to each of the observed samples in the training data, then update the hidden units according to the conditional probability found before. We then average over all samples in the training data to calculate expectation values with respect to the data. ### Kullback-Leibler relative entropy When the goal of the training is to approximate a probability distribution, as it is in generative modeling, another relevant measure is the **Kullback-Leibler divergence**, also known as the relative entropy or Shannon entropy. It is a non-symmetric measure of the dissimilarity between two probability density functions $p$ and $q$. If $p$ is the unkown probability which we approximate with $q$, we can measure the difference by <!-- Equation labels as ordinary links --> <div id="_auto16"></div> $$ \begin{equation} \text{KL}(p||q) = \int_{-\infty}^{\infty} p (\boldsymbol{x}) \log \frac{p(\boldsymbol{x})}{q(\boldsymbol{x})} d\boldsymbol{x}. \label{_auto16} \tag{16} \end{equation} $$ Thus, the Kullback-Leibler divergence between the distribution of the training data $f(\boldsymbol{x})$ and the model distribution $p(\boldsymbol{x}| \boldsymbol{\theta})$ is <!-- Equation labels as ordinary links --> <div id="_auto17"></div> $$ \begin{equation} \text{KL} (f(\boldsymbol{x})|| p(\boldsymbol{x}| \boldsymbol{\theta})) = \int_{-\infty}^{\infty} f (\boldsymbol{x}) \log \frac{f(\boldsymbol{x})}{p(\boldsymbol{x}| \boldsymbol{\theta})} d\boldsymbol{x} \label{_auto17} \tag{17} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto18"></div> $$ \begin{equation} = \int_{-\infty}^{\infty} f(\boldsymbol{x}) \log f(\boldsymbol{x}) d\boldsymbol{x} - \int_{-\infty}^{\infty} f(\boldsymbol{x}) \log p(\boldsymbol{x}| \boldsymbol{\theta}) d\boldsymbol{x} \label{_auto18} \tag{18} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto19"></div> $$ \begin{equation} %= \mathbb{E}_{f(\boldsymbol{x})} (\log f(\boldsymbol{x})) - \mathbb{E}_{f(\boldsymbol{x})} (\log p(\boldsymbol{x}| \boldsymbol{\theta})) = \langle \log f(\boldsymbol{x}) \rangle_{f(\boldsymbol{x})} - \langle \log p(\boldsymbol{x}| \boldsymbol{\theta}) \rangle_{f(\boldsymbol{x})} \label{_auto19} \tag{19} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto20"></div> $$ \begin{equation} = \langle \log f(\boldsymbol{x}) \rangle_{data} + \langle E(\boldsymbol{x}) \rangle_{data} + \log Z \label{_auto20} \tag{20} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto21"></div> $$ \begin{equation} = \langle \log f(\boldsymbol{x}) \rangle_{data} + \mathcal{C}_{LL} . \label{_auto21} \tag{21} \end{equation} $$ The first term is constant with respect to $\boldsymbol{\theta}$ since $f(\boldsymbol{x})$ is independent of $\boldsymbol{\theta}$. Thus the Kullback-Leibler Divergence is minimal when the second term is minimal. The second term is the log-likelihood cost function, hence minimizing the Kullback-Leibler divergence is equivalent to maximizing the log-likelihood. To further understand generative models it is useful to study the gradient of the cost function which is needed in order to minimize it using methods like stochastic gradient descent. The partition function is the generating function of expectation values, in particular there are mathematical relationships between expectation values and the log-partition function. In this case we have <!-- Equation labels as ordinary links --> <div id="_auto22"></div> $$ \begin{equation} \langle \frac{ \partial E(\boldsymbol{x}; \theta_i) } { \partial \theta_i} \rangle_{model} = \int p(\boldsymbol{x}| \boldsymbol{\theta}) \frac{ \partial E(\boldsymbol{x}; \theta_i) } { \partial \theta_i} d\boldsymbol{x} = -\frac{\partial \log Z(\theta_i)}{ \partial \theta_i} . \label{_auto22} \tag{22} \end{equation} $$ Here $\langle \cdot \rangle_{model}$ is the expectation value over the model probability distribution $p(\boldsymbol{x}| \boldsymbol{\theta})$. ## Setting up for gradient descent calculations Using the previous relationship we can express the gradient of the cost function as <!-- Equation labels as ordinary links --> <div id="_auto23"></div> $$ \begin{equation} \frac{\partial \mathcal{C}_{LL}}{\partial \theta_i} = \langle \frac{ \partial E(\boldsymbol{x}; \theta_i) } { \partial \theta_i} \rangle_{data} + \frac{\partial \log Z(\theta_i)}{ \partial \theta_i} \label{_auto23} \tag{23} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto24"></div> $$ \begin{equation} = \langle \frac{ \partial E(\boldsymbol{x}; \theta_i) } { \partial \theta_i} \rangle_{data} - \langle \frac{ \partial E(\boldsymbol{x}; \theta_i) } { \partial \theta_i} \rangle_{model} \label{_auto24} \tag{24} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto25"></div> $$ \begin{equation} %= \langle O_i(\boldsymbol{x}) \rangle_{data} - \langle O_i(\boldsymbol{x}) \rangle_{model} \label{_auto25} \tag{25} \end{equation} $$ This expression shows that the gradient of the log-likelihood cost function is a **difference of moments**, with one calculated from the data and one calculated from the model. The data-dependent term is called the **positive phase** and the model-dependent term is called the **negative phase** of the gradient. We see now that minimizing the cost function results in lowering the energy of configurations $\boldsymbol{x}$ near points in the training data and increasing the energy of configurations not observed in the training data. That means we increase the model's probability of configurations similar to those in the training data. The gradient of the cost function also demonstrates why gradients of unsupervised, generative models must be computed differently from for those of for example FNNs. While the data-dependent expectation value is easily calculated based on the samples $\boldsymbol{x}_i$ in the training data, we must sample from the model in order to generate samples from which to caclulate the model-dependent term. We sample from the model by using MCMC-based methods. We can not sample from the model directly because the partition function $Z$ is generally intractable. As in supervised machine learning problems, the goal is also here to perform well on **unseen** data, that is to have good generalization from the training data. The distribution $f(x)$ we approximate is not the **true** distribution we wish to estimate, it is limited to the training data. Hence, in unsupervised training as well it is important to prevent overfitting to the training data. Thus it is common to add regularizers to the cost function in the same manner as we discussed for say linear regression. ## RBMs for the quantum many body problem The idea of applying RBMs to quantum many body problems was presented by G. Carleo and M. Troyer, working with ETH Zurich and Microsoft Research. Some of their motivation included * The wave function $\Psi$ is a monolithic mathematical quantity that contains all the information on a quantum state, be it a single particle or a complex molecule. In principle, an exponential amount of information is needed to fully encode a generic many-body quantum state. * There are still interesting open problems, including fundamental questions ranging from the dynamical properties of high-dimensional systems to the exact ground-state properties of strongly interacting fermions. * The difficulty lies in finding a general strategy to reduce the exponential complexity of the full many-body wave function down to its most essential features. That is a. Dimensional reduction b. Feature extraction * Among the most successful techniques to attack these challenges, artifical neural networks play a prominent role. * Want to understand whether an artifical neural network may adapt to describe a quantum system. Carleo and Troyer applied the RBM to the quantum mechanical spin lattice systems of the Ising model and Heisenberg model, with encouraging results. Our goal is to test the method on systems of moving particles. For the spin lattice systems it was natural to use a binary-binary RBM, with the nodes taking values of 1 and -1. For moving particles, on the other hand, we want the visible nodes to be continuous, representing position coordinates. Thus, we start by choosing a Gaussian-binary RBM, where the visible nodes are continuous and hidden nodes take on values of 0 or 1. If eventually we would like the hidden nodes to be continuous as well the rectified linear units seem like the most relevant choice. ## Representing the wave function The wavefunction should be a probability amplitude depending on $\boldsymbol{x}$. The RBM model is given by the joint distribution of $\boldsymbol{x}$ and $\boldsymbol{h}$ <!-- Equation labels as ordinary links --> <div id="_auto26"></div> $$ \begin{equation} F_{rbm}(\mathbf{x},\mathbf{h}) = \frac{1}{Z} e^{-\frac{1}{T_0}E(\mathbf{x},\mathbf{h})}. \label{_auto26} \tag{26} \end{equation} $$ To find the marginal distribution of $\boldsymbol{x}$ we set: <!-- Equation labels as ordinary links --> <div id="_auto27"></div> $$ \begin{equation} F_{rbm}(\mathbf{x}) = \sum_\mathbf{h} F_{rbm}(\mathbf{x}, \mathbf{h}) \label{_auto27} \tag{27} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto28"></div> $$ \begin{equation} = \frac{1}{Z}\sum_\mathbf{h} e^{-E(\mathbf{x}, \mathbf{h})}. \label{_auto28} \tag{28} \end{equation} $$ Now this is what we use to represent the wave function, calling it a neural-network quantum state (NQS) <!-- Equation labels as ordinary links --> <div id="_auto29"></div> $$ \begin{equation} \Psi (\mathbf{X}) = F_{rbm}(\mathbf{x}) \label{_auto29} \tag{29} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto30"></div> $$ \begin{equation} = \frac{1}{Z}\sum_{\boldsymbol{h}} e^{-E(\mathbf{x}, \mathbf{h})} \label{_auto30} \tag{30} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto31"></div> $$ \begin{equation} = \frac{1}{Z} \sum_{\{h_j\}} e^{-\sum_i^M \frac{(x_i - a_i)^2}{2\sigma^2} + \sum_j^N b_j h_j + \sum_\ {i,j}^{M,N} \frac{x_i w_{ij} h_j}{\sigma^2}} \label{_auto31} \tag{31} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto32"></div> $$ \begin{equation} = \frac{1}{Z} e^{-\sum_i^M \frac{(x_i - a_i)^2}{2\sigma^2}} \prod_j^N (1 + e^{b_j + \sum_i^M \frac{x\ _i w_{ij}}{\sigma^2}}). \label{_auto32} \tag{32} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto33"></div> $$ \begin{equation} \label{_auto33} \tag{33} \end{equation} $$ ## Choose the cost function Now we don't necessarily have training data (unless we generate it by using some other method). However, what we do have is the variational principle which allows us to obtain the ground state wave function by minimizing the expectation value of the energy of a trial wavefunction (corresponding to the untrained NQS). Similarly to the traditional variational Monte Carlo method then, it is the local energy we wish to minimize. The gradient to use for the stochastic gradient descent procedure is <!-- Equation labels as ordinary links --> <div id="_auto34"></div> $$ \begin{equation} C_i = \frac{\partial \langle E_L \rangle}{\partial \theta_i} = 2(\langle E_L \frac{1}{\Psi}\frac{\partial \Psi}{\partial \theta_i} \rangle - \langle E_L \rangle \langle \frac{1}{\Psi}\frac{\partial \Psi}{\partial \theta_i} \rangle ), \label{_auto34} \tag{34} \end{equation} $$ where the local energy is given by <!-- Equation labels as ordinary links --> <div id="_auto35"></div> $$ \begin{equation} E_L = \frac{1}{\Psi} \hat{\mathbf{H}} \Psi. \label{_auto35} \tag{35} \end{equation} $$ ### Mathematical details Because we are restricted to potential functions which are positive it is convenient to express them as exponentials, so that <!-- Equation labels as ordinary links --> <div id="_auto36"></div> $$ \begin{equation} \phi_C (\boldsymbol{x}_C) = e^{-E_C(\boldsymbol{x}_C)} \label{_auto36} \tag{36} \end{equation} $$ where $E(\boldsymbol{x}_C)$ is called an *energy function*, and the exponential representation is the *Boltzmann distribution*. The joint distribution is defined as the product of potentials. The joint distribution of the random variables is then $$ p(\boldsymbol{x}) = \frac{1}{Z} \prod_C \phi_C (\boldsymbol{x}_C) \nonumber $$ $$ = \frac{1}{Z} \prod_C e^{-E_C(\boldsymbol{x}_C)} \nonumber $$ $$ = \frac{1}{Z} e^{-\sum_C E_C(\boldsymbol{x}_C)} \nonumber $$ 4 0 < < < ! ! M A T H _ B L O C K <!-- Equation labels as ordinary links --> <div id="_auto38"></div> $$ \begin{equation} p_{BM}(\boldsymbol{x}, \boldsymbol{h}) = \frac{1}{Z_{BM}} e^{-\frac{1}{T}E_{BM}(\boldsymbol{x}, \boldsymbol{h})} , \label{_auto38} \tag{38} \end{equation} $$ with the partition function <!-- Equation labels as ordinary links --> <div id="_auto39"></div> $$ \begin{equation} Z_{BM} = \int \int e^{-\frac{1}{T} E_{BM}(\tilde{\boldsymbol{x}}, \tilde{\boldsymbol{h}})} d\tilde{\boldsymbol{x}} d\tilde{\boldsymbol{h}} . \label{_auto39} \tag{39} \end{equation} $$ $T$ is a physics-inspired parameter named temperature and will be assumed to be 1 unless otherwise stated. The energy function of the Boltzmann machine determines the interactions between the nodes and is defined $$ E_{BM}(\boldsymbol{x}, \boldsymbol{h}) = - \sum_{i, k}^{M, K} a_i^k \alpha_i^k (x_i) - \sum_{j, l}^{N, L} b_j^l \beta_j^l (h_j) - \sum_{i,j,k,l}^{M,N,K,L} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (h_j) \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto40"></div> $$ \begin{equation} - \sum_{i, m=i+1, k}^{M, M, K} \alpha_i^k (x_i) v_{im}^k \alpha_m^k (x_m) - \sum_{j,n=j+1,l}^{N,N,L} \beta_j^l (h_j) u_{jn}^l \beta_n^l (h_n). \label{_auto40} \tag{40} \end{equation} $$ Here $\alpha_i^k (x_i)$ and $\beta_j^l (h_j)$ are one-dimensional transfer functions or mappings from the given input value to the desired feature value. They can be arbitrary functions of the input variables and are independent of the parameterization (parameters referring to weight and biases), meaning they are not affected by training of the model. The indices $k$ and $l$ indicate that there can be multiple transfer functions per variable. Furthermore, $a_i^k$ and $b_j^l$ are the visible and hidden bias. $w_{ij}^{kl}$ are weights of the \textbf{inter-layer} connection terms which connect visible and hidden units. $ v_{im}^k$ and $u_{jn}^l$ are weights of the \textbf{intra-layer} connection terms which connect the visible units to each other and the hidden units to each other, respectively. We remove the intra-layer connections by setting $v_{im}$ and $u_{jn}$ to zero. The expression for the energy of the RBM is then <!-- Equation labels as ordinary links --> <div id="_auto41"></div> $$ \begin{equation} E_{RBM}(\boldsymbol{x}, \boldsymbol{h}) = - \sum_{i, k}^{M, K} a_i^k \alpha_i^k (x_i) - \sum_{j, l}^{N, L} b_j^l \beta_j^l (h_j) - \sum_{i,j,k,l}^{M,N,K,L} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (h_j). \label{_auto41} \tag{41} \end{equation} $$ resulting in $$ P_{RBM} (\boldsymbol{x}) = \int P_{RBM} (\boldsymbol{x}, \tilde{\boldsymbol{h}}) d \tilde{\boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{RBM}} \int e^{-E_{RBM} (\boldsymbol{x}, \tilde{\boldsymbol{h}}) } d\tilde{\boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{RBM}} \int e^{\sum_{i, k} a_i^k \alpha_i^k (x_i) + \sum_{j, l} b_j^l \beta_j^l (\tilde{h}_j) + \sum_{i,j,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (\tilde{h}_j)} d\tilde{\boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{RBM}} e^{\sum_{i, k} a_i^k \alpha_i^k (x_i)} \int \prod_j^N e^{\sum_l b_j^l \beta_j^l (\tilde{h}_j) + \sum_{i,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (\tilde{h}_j)} d\tilde{\boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{RBM}} e^{\sum_{i, k} a_i^k \alpha_i^k (x_i)} \biggl( \int e^{\sum_l b_1^l \beta_1^l (\tilde{h}_1) + \sum_{i,k,l} \alpha_i^k (x_i) w_{i1}^{kl} \beta_1^l (\tilde{h}_1)} d \tilde{h}_1 \nonumber $$ $$ \times \int e^{\sum_l b_2^l \beta_2^l (\tilde{h}_2) + \sum_{i,k,l} \alpha_i^k (x_i) w_{i2}^{kl} \beta_2^l (\tilde{h}_2)} d \tilde{h}_2 \nonumber $$ $$ \times ... \nonumber $$ $$ \times \int e^{\sum_l b_N^l \beta_N^l (\tilde{h}_N) + \sum_{i,k,l} \alpha_i^k (x_i) w_{iN}^{kl} \beta_N^l (\tilde{h}_N)} d \tilde{h}_N \biggr) \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto42"></div> $$ \begin{equation} = \frac{1}{Z_{RBM}} e^{\sum_{i, k} a_i^k \alpha_i^k (x_i)} \prod_j^N \int e^{\sum_l b_j^l \beta_j^l (\tilde{h}_j) + \sum_{i,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (\tilde{h}_j)} d\tilde{h}_j \label{_auto42} \tag{42} \end{equation} $$ Similarly $$ P_{RBM} (\boldsymbol{h}) = \frac{1}{Z_{RBM}} \int e^{-E_{RBM} (\tilde{\boldsymbol{x}}, \boldsymbol{h})} d\tilde{\boldsymbol{x}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto43"></div> $$ \begin{equation} = \frac{1}{Z_{RBM}} e^{\sum_{j, l} b_j^l \beta_j^l (h_j)} \prod_i^M \int e^{\sum_k a_i^k \alpha_i^k (\tilde{x}_i) + \sum_{j,k,l} \alpha_i^k (\tilde{x}_i) w_{ij}^{kl} \beta_j^l (h_j)} d\tilde{x}_i \label{_auto43} \tag{43} \end{equation} $$ Using Bayes theorem $$ P_{RBM} (\boldsymbol{h}|\boldsymbol{x}) = \frac{P_{RBM} (\boldsymbol{x}, \boldsymbol{h})}{P_{RBM} (\boldsymbol{x})} \nonumber $$ $$ = \frac{\frac{1}{Z_{RBM}} e^{\sum_{i, k} a_i^k \alpha_i^k (x_i) + \sum_{j, l} b_j^l \beta_j^l (h_j) + \sum_{i,j,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (h_j)}} {\frac{1}{Z_{RBM}} e^{\sum_{i, k} a_i^k \alpha_i^k (x_i)} \prod_j^N \int e^{\sum_l b_j^l \beta_j^l (\tilde{h}_j) + \sum_{i,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (\tilde{h}_j)} d\tilde{h}_j} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto44"></div> $$ \begin{equation} = \prod_j^N \frac{e^{\sum_l b_j^l \beta_j^l (h_j) + \sum_{i,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (h_j)} } {\int e^{\sum_l b_j^l \beta_j^l (\tilde{h}_j) + \sum_{i,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (\tilde{h}_j)} d\tilde{h}_j} \label{_auto44} \tag{44} \end{equation} $$ Similarly $$ P_{RBM} (\boldsymbol{x}|\boldsymbol{h}) = \frac{P_{RBM} (\boldsymbol{x}, \boldsymbol{h})}{P_{RBM} (\boldsymbol{h})} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto45"></div> $$ \begin{equation} = \prod_i^M \frac{e^{\sum_k a_i^k \alpha_i^k (x_i) + \sum_{j,k,l} \alpha_i^k (x_i) w_{ij}^{kl} \beta_j^l (h_j)}} {\int e^{\sum_k a_i^k \alpha_i^k (\tilde{x}_i) + \sum_{j,k,l} \alpha_i^k (\tilde{x}_i) w_{ij}^{kl} \beta_j^l (h_j)} d\tilde{x}_i} \label{_auto45} \tag{45} \end{equation} $$ The original RBM had binary visible and hidden nodes. They were showned to be universal approximators of discrete distributions. It was also shown that adding hidden units yields strictly improved modelling power. The common choice of binary values are 0 and 1. However, in some physics applications, -1 and 1 might be a more natural choice. We will here use 0 and 1. <!-- Equation labels as ordinary links --> <div id="_auto46"></div> $$ \begin{equation} E_{BB}(\boldsymbol{x}, \mathbf{h}) = - \sum_i^M x_i a_i- \sum_j^N b_j h_j - \sum_{i,j}^{M,N} x_i w_{ij} h_j. \label{_auto46} \tag{46} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto47"></div> $$ \begin{equation} p_{BB}(\boldsymbol{x}, \boldsymbol{h}) = \frac{1}{Z_{BB}} e^{\sum_i^M a_i x_i + \sum_j^N b_j h_j + \sum_{ij}^{M,N} x_i w_{ij} h_j} \label{_auto47} \tag{47} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto48"></div> $$ \begin{equation} = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a} + \boldsymbol{b}^T \boldsymbol{h} + \boldsymbol{x}^T \boldsymbol{W} \boldsymbol{h}} \label{_auto48} \tag{48} \end{equation} $$ with the partition function <!-- Equation labels as ordinary links --> <div id="_auto49"></div> $$ \begin{equation} Z_{BB} = \sum_{\boldsymbol{x}, \boldsymbol{h}} e^{\boldsymbol{x}^T \boldsymbol{a} + \boldsymbol{b}^T \boldsymbol{h} + \boldsymbol{x}^T \boldsymbol{W} \boldsymbol{h}} . \label{_auto49} \tag{49} \end{equation} $$ ### Marginal Probability Density Functions In order to find the probability of any configuration of the visible units we derive the marginal probability density function. <!-- Equation labels as ordinary links --> <div id="_auto50"></div> $$ \begin{equation} p_{BB} (\boldsymbol{x}) = \sum_{\boldsymbol{h}} p_{BB} (\boldsymbol{x}, \boldsymbol{h}) \label{_auto50} \tag{50} \end{equation} $$ $$ = \frac{1}{Z_{BB}} \sum_{\boldsymbol{h}} e^{\boldsymbol{x}^T \boldsymbol{a} + \boldsymbol{b}^T \boldsymbol{h} + \boldsymbol{x}^T \boldsymbol{W} \boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \sum_{\boldsymbol{h}} e^{\sum_j^N (b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j})h_j} \nonumber $$ $$ = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \sum_{\boldsymbol{h}} \prod_j^N e^{ (b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j})h_j} \nonumber $$ $$ = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \bigg ( \sum_{h_1} e^{(b_1 + \boldsymbol{x}^T \boldsymbol{w}_{\ast 1})h_1} \times \sum_{h_2} e^{(b_2 + \boldsymbol{x}^T \boldsymbol{w}_{\ast 2})h_2} \times \nonumber $$ $$ ... \times \sum_{h_2} e^{(b_N + \boldsymbol{x}^T \boldsymbol{w}_{\ast N})h_N} \bigg ) \nonumber $$ $$ = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \prod_j^N \sum_{h_j} e^{(b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}) h_j} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto51"></div> $$ \begin{equation} = \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \prod_j^N (1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}}) . \label{_auto51} \tag{51} \end{equation} $$ A similar derivation yields the marginal probability of the hidden units <!-- Equation labels as ordinary links --> <div id="_auto52"></div> $$ \begin{equation} p_{BB} (\boldsymbol{h}) = \frac{1}{Z_{BB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M (1 + e^{a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}}) . \label{_auto52} \tag{52} \end{equation} $$ ### Conditional Probability Density Functions We derive the probability of the hidden units given the visible units using Bayes' rule $$ p_{BB} (\boldsymbol{h}|\boldsymbol{x}) = \frac{p_{BB} (\boldsymbol{x}, \boldsymbol{h})}{p_{BB} (\boldsymbol{x})} \nonumber $$ $$ = \frac{ \frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a} + \boldsymbol{b}^T \boldsymbol{h} + \boldsymbol{x}^T \boldsymbol{W} \boldsymbol{h}} } {\frac{1}{Z_{BB}} e^{\boldsymbol{x}^T \boldsymbol{a}} \prod_j^N (1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}})} \nonumber $$ $$ = \frac{ e^{\boldsymbol{x}^T \boldsymbol{a}} e^{ \sum_j^N (b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j} ) h_j} } { e^{\boldsymbol{x}^T \boldsymbol{a}} \prod_j^N (1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}})} \nonumber $$ $$ = \prod_j^N \frac{ e^{(b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j} ) h_j} } {1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto53"></div> $$ \begin{equation} = \prod_j^N p_{BB} (h_j| \boldsymbol{x}) . \label{_auto53} \tag{53} \end{equation} $$ From this we find the probability of a hidden unit being "on" or "off": <!-- Equation labels as ordinary links --> <div id="_auto54"></div> $$ \begin{equation} p_{BB} (h_j=1 | \boldsymbol{x}) = \frac{ e^{(b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j} ) h_j} } {1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}}} \label{_auto54} \tag{54} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto55"></div> $$ \begin{equation} = \frac{ e^{(b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j} )} } {1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}}} \label{_auto55} \tag{55} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto56"></div> $$ \begin{equation} = \frac{ 1 }{1 + e^{-(b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j})} } , \label{_auto56} \tag{56} \end{equation} $$ and <!-- Equation labels as ordinary links --> <div id="_auto57"></div> $$ \begin{equation} p_{BB} (h_j=0 | \boldsymbol{x}) =\frac{ 1 }{1 + e^{b_j + \boldsymbol{x}^T \boldsymbol{w}_{\ast j}} } . \label{_auto57} \tag{57} \end{equation} $$ Similarly we have that the conditional probability of the visible units given the hidden are <!-- Equation labels as ordinary links --> <div id="_auto58"></div> $$ \begin{equation} p_{BB} (\boldsymbol{x}|\boldsymbol{h}) = \prod_i^M \frac{ e^{ (a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}) x_i} }{ 1 + e^{a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}} } \label{_auto58} \tag{58} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto59"></div> $$ \begin{equation} = \prod_i^M p_{BB} (x_i | \boldsymbol{h}) . \label{_auto59} \tag{59} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto60"></div> $$ \begin{equation} p_{BB} (x_i=1 | \boldsymbol{h}) = \frac{1}{1 + e^{-(a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h} )}} \label{_auto60} \tag{60} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto61"></div> $$ \begin{equation} p_{BB} (x_i=0 | \boldsymbol{h}) = \frac{1}{1 + e^{a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h} }} . \label{_auto61} \tag{61} \end{equation} $$ ### Gaussian-Binary Restricted Boltzmann Machines Inserting into the expression for $E_{RBM}(\boldsymbol{x},\boldsymbol{h})$ in equation results in the energy $$ E_{GB}(\boldsymbol{x}, \boldsymbol{h}) = \sum_i^M \frac{(x_i - a_i)^2}{2\sigma_i^2} - \sum_j^N b_j h_j -\sum_{ij}^{M,N} \frac{x_i w_{ij} h_j}{\sigma_i^2} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto62"></div> $$ \begin{equation} = \vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 - \boldsymbol{b}^T \boldsymbol{h} - (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\boldsymbol{h} . \label{_auto62} \tag{62} \end{equation} $$ ### Joint Probability Density Function $$ p_{GB} (\boldsymbol{x}, \boldsymbol{h}) = \frac{1}{Z_{GB}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \boldsymbol{h} + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\boldsymbol{h}} \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{- \sum_i^M \frac{(x_i - a_i)^2}{2\sigma_i^2} + \sum_j^N b_j h_j +\sum_{ij}^{M,N} \frac{x_i w_{ij} h_j}{\sigma_i^2}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto63"></div> $$ \begin{equation} = \frac{1}{Z_{GB}} \prod_{ij}^{M,N} e^{-\frac{(x_i - a_i)^2}{2\sigma_i^2} + b_j h_j +\frac{x_i w_{ij} h_j}{\sigma_i^2}} , \label{_auto63} \tag{63} \end{equation} $$ with the partition function given by <!-- Equation labels as ordinary links --> <div id="_auto64"></div> $$ \begin{equation} Z_{GB} = \int \sum_{\tilde{\boldsymbol{h}}}^{\tilde{\boldsymbol{H}}} e^{-\vert\vert\frac{\tilde{\boldsymbol{x}} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \tilde{\boldsymbol{h}} + (\frac{\tilde{\boldsymbol{x}}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\tilde{\boldsymbol{h}}} d\tilde{\boldsymbol{x}} . \label{_auto64} \tag{64} \end{equation} $$ ### Marginal Probability Density Functions We proceed to find the marginal probability densitites of the Gaussian-binary RBM. We first marginalize over the binary hidden units to find $p_{GB} (\boldsymbol{x})$ $$ p_{GB} (\boldsymbol{x}) = \sum_{\tilde{\boldsymbol{h}}}^{\tilde{\boldsymbol{H}}} p_{GB} (\boldsymbol{x}, \tilde{\boldsymbol{h}}) \nonumber $$ $$ = \frac{1}{Z_{GB}} \sum_{\tilde{\boldsymbol{h}}}^{\tilde{\boldsymbol{H}}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \tilde{\boldsymbol{h}} + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\tilde{\boldsymbol{h}}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto65"></div> $$ \begin{equation} = \frac{1}{Z_{GB}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2} \prod_j^N (1 + e^{b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}} ) . \label{_auto65} \tag{65} \end{equation} $$ We next marginalize over the visible units. This is the first time we marginalize over continuous values. We rewrite the exponential factor dependent on $\boldsymbol{x}$ as a Gaussian function before we integrate in the last step. $$ p_{GB} (\boldsymbol{h}) = \int p_{GB} (\tilde{\boldsymbol{x}}, \boldsymbol{h}) d\tilde{\boldsymbol{x}} \nonumber $$ $$ = \frac{1}{Z_{GB}} \int e^{-\vert\vert\frac{\tilde{\boldsymbol{x}} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \boldsymbol{h} + (\frac{\tilde{\boldsymbol{x}}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\boldsymbol{h}} d\tilde{\boldsymbol{x}} \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h} } \int \prod_i^M e^{- \frac{(\tilde{x}_i - a_i)^2}{2\sigma_i^2} + \frac{\tilde{x}_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h}}{\sigma_i^2} } d\tilde{\boldsymbol{x}} \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h} } \biggl( \int e^{- \frac{(\tilde{x}_1 - a_1)^2}{2\sigma_1^2} + \frac{\tilde{x}_1 \boldsymbol{w}_{1\ast}^T \boldsymbol{h}}{\sigma_1^2} } d\tilde{x}_1 \nonumber $$ $$ \times \int e^{- \frac{(\tilde{x}_2 - a_2)^2}{2\sigma_2^2} + \frac{\tilde{x}_2 \boldsymbol{w}_{2\ast}^T \boldsymbol{h}}{\sigma_2^2} } d\tilde{x}_2 \nonumber $$ $$ \times ... \nonumber $$ $$ \times \int e^{- \frac{(\tilde{x}_M - a_M)^2}{2\sigma_M^2} + \frac{\tilde{x}_M \boldsymbol{w}_{M\ast}^T \boldsymbol{h}}{\sigma_M^2} } d\tilde{x}_M \biggr) \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \int e^{- \frac{(\tilde{x}_i - a_i)^2 - 2\tilde{x}_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h}}{2\sigma_i^2} } d\tilde{x}_i \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \int e^{- \frac{\tilde{x}_i^2 - 2\tilde{x}_i(a_i + \tilde{x}_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h}) + a_i^2}{2\sigma_i^2} } d\tilde{x}_i \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \int e^{- \frac{\tilde{x}_i^2 - 2\tilde{x}_i(a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}) + (a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 - (a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 + a_i^2}{2\sigma_i^2} } d\tilde{x}_i \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \int e^{- \frac{(\tilde{x}_i - (a_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}))^2 - a_i^2 -2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} - (\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 + a_i^2}{2\sigma_i^2} } d\tilde{x}_i \nonumber $$ $$ = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M e^{\frac{2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 }{2\sigma_i^2}} \int e^{- \frac{(\tilde{x}_i - a_i - \boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2}{2\sigma_i^2}} d\tilde{x}_i \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto66"></div> $$ \begin{equation} = \frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \sqrt{2\pi \sigma_i^2} e^{\frac{2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 }{2\sigma_i^2}} . \label{_auto66} \tag{66} \end{equation} $$ ### Conditional Probability Density Functions We finish by deriving the conditional probabilities. $$ p_{GB} (\boldsymbol{h}| \boldsymbol{x}) = \frac{p_{GB} (\boldsymbol{x}, \boldsymbol{h})}{p_{GB} (\boldsymbol{x})} \nonumber $$ $$ = \frac{\frac{1}{Z_{GB}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \boldsymbol{h} + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\boldsymbol{h}}} {\frac{1}{Z_{GB}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2} \prod_j^N (1 + e^{b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}} ) } \nonumber $$ $$ = \prod_j^N \frac{e^{(b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j})h_j } } {1 + e^{b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto67"></div> $$ \begin{equation} = \prod_j^N p_{GB} (h_j|\boldsymbol{x}). \label{_auto67} \tag{67} \end{equation} $$ The conditional probability of a binary hidden unit $h_j$ being on or off again takes the form of a sigmoid function $$ p_{GB} (h_j =1 | \boldsymbol{x}) = \frac{e^{b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j} } } {1 + e^{b_j + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto68"></div> $$ \begin{equation} = \frac{1}{1 + e^{-b_j - (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}}} \label{_auto68} \tag{68} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto69"></div> $$ \begin{equation} p_{GB} (h_j =0 | \boldsymbol{x}) = \frac{1}{1 + e^{b_j +(\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{w}_{\ast j}}} . \label{_auto69} \tag{69} \end{equation} $$ The conditional probability of the continuous $\boldsymbol{x}$ now has another form, however. $$ p_{GB} (\boldsymbol{x}|\boldsymbol{h}) = \frac{p_{GB} (\boldsymbol{x}, \boldsymbol{h})}{p_{GB} (\boldsymbol{h})} \nonumber $$ $$ = \frac{\frac{1}{Z_{GB}} e^{-\vert\vert\frac{\boldsymbol{x} -\boldsymbol{a}}{2\boldsymbol{\sigma}}\vert\vert^2 + \boldsymbol{b}^T \boldsymbol{h} + (\frac{\boldsymbol{x}}{\boldsymbol{\sigma}^2})^T \boldsymbol{W}\boldsymbol{h}}} {\frac{1}{Z_{GB}} e^{\boldsymbol{b}^T \boldsymbol{h}} \prod_i^M \sqrt{2\pi \sigma_i^2} e^{\frac{2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 }{2\sigma_i^2}}} \nonumber $$ $$ = \prod_i^M \frac{1}{\sqrt{2\pi \sigma_i^2}} \frac{e^{- \frac{(x_i - a_i)^2}{2\sigma_i^2} + \frac{x_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h}}{2\sigma_i^2} }} {e^{\frac{2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 }{2\sigma_i^2}}} \nonumber $$ $$ = \prod_i^M \frac{1}{\sqrt{2\pi \sigma_i^2}} \frac{e^{-\frac{x_i^2 - 2a_i x_i + a_i^2 - 2x_i \boldsymbol{w}_{i\ast}^T\boldsymbol{h} }{2\sigma_i^2} } } {e^{\frac{2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2 }{2\sigma_i^2}}} \nonumber $$ $$ = \prod_i^M \frac{1}{\sqrt{2\pi \sigma_i^2}} e^{- \frac{x_i^2 - 2a_i x_i + a_i^2 - 2x_i \boldsymbol{w}_{i\ast}^T\boldsymbol{h} + 2a_i \boldsymbol{w}_{i\ast}^T \boldsymbol{h} +(\boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2} {2\sigma_i^2} } \nonumber $$ $$ = \prod_i^M \frac{1}{\sqrt{2\pi \sigma_i^2}} e^{ - \frac{(x_i - b_i - \boldsymbol{w}_{i\ast}^T \boldsymbol{h})^2}{2\sigma_i^2}} \nonumber $$ <!-- Equation labels as ordinary links --> <div id="_auto70"></div> $$ \begin{equation} = \prod_i^M \mathcal{N} (x_i | b_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}, \sigma_i^2) \label{_auto70} \tag{70} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto71"></div> $$ \begin{equation} \Rightarrow p_{GB} (x_i|\boldsymbol{h}) = \mathcal{N} (x_i | b_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}, \sigma_i^2) . \label{_auto71} \tag{71} \end{equation} $$ The form of these conditional probabilities explains the name "Gaussian" and the form of the Gaussian-binary energy function. We see that the conditional probability of $x_i$ given $\boldsymbol{h}$ is a normal distribution with mean $b_i + \boldsymbol{w}_{i\ast}^T \boldsymbol{h}$ and variance $\sigma_i^2$. ## Neural Quantum States The wavefunction should be a probability amplitude depending on $\boldsymbol{x}$. The RBM model is given by the joint distribution of $\boldsymbol{x}$ and $\boldsymbol{h}$ <!-- Equation labels as ordinary links --> <div id="_auto72"></div> $$ \begin{equation} F_{rbm}(\boldsymbol{x},\mathbf{h}) = \frac{1}{Z} e^{-\frac{1}{T_0}E(\boldsymbol{x},\mathbf{h})} \label{_auto72} \tag{72} \end{equation} $$ To find the marginal distribution of $\boldsymbol{x}$ we set: <!-- Equation labels as ordinary links --> <div id="_auto73"></div> $$ \begin{equation} F_{rbm}(\mathbf{x}) = \sum_\mathbf{h} F_{rbm}(\mathbf{x}, \mathbf{h}) \label{_auto73} \tag{73} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto74"></div> $$ \begin{equation} = \frac{1}{Z}\sum_\mathbf{h} e^{-E(\mathbf{x}, \mathbf{h})} \label{_auto74} \tag{74} \end{equation} $$ Now this is what we use to represent the wave function, calling it a neural-network quantum state (NQS) <!-- Equation labels as ordinary links --> <div id="_auto75"></div> $$ \begin{equation} \Psi (\mathbf{X}) = F_{rbm}(\mathbf{x}) \label{_auto75} \tag{75} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto76"></div> $$ \begin{equation} = \frac{1}{Z}\sum_{\boldsymbol{h}} e^{-E(\mathbf{x}, \mathbf{h})} \label{_auto76} \tag{76} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto77"></div> $$ \begin{equation} = \frac{1}{Z} \sum_{\{h_j\}} e^{-\sum_i^M \frac{(x_i - a_i)^2}{2\sigma^2} + \sum_j^N b_j h_j + \sum_{i,j}^{M,N} \frac{x_i w_{ij} h_j}{\sigma^2}} \label{_auto77} \tag{77} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto78"></div> $$ \begin{equation} = \frac{1}{Z} e^{-\sum_i^M \frac{(x_i - a_i)^2}{2\sigma^2}} \prod_j^N (1 + e^{b_j + \sum_i^M \frac{x_i w_{ij}}{\sigma^2}}) \label{_auto78} \tag{78} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto79"></div> $$ \begin{equation} \label{_auto79} \tag{79} \end{equation} $$ The above wavefunction is the most general one because it allows for complex valued wavefunctions. However it fundamentally changes the probabilistic foundation of the RBM, because what is usually a probability in the RBM framework is now a an amplitude. This means that a lot of the theoretical framework usually used to interpret the model, i.e. graphical models, conditional probabilities, and Markov random fields, breaks down. If we assume the wavefunction to be postive definite, however, we can use the RBM to represent the squared wavefunction, and thereby a probability. This also makes it possible to sample from the model using Gibbs sampling, because we can obtain the conditional probabilities. <!-- Equation labels as ordinary links --> <div id="_auto80"></div> $$ \begin{equation} |\Psi (\mathbf{X})|^2 = F_{rbm}(\mathbf{X}) \label{_auto80} \tag{80} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto81"></div> $$ \begin{equation} \Rightarrow \Psi (\mathbf{X}) = \sqrt{F_{rbm}(\mathbf{X})} \label{_auto81} \tag{81} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto82"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}}\sqrt{\sum_{\{h_j\}} e^{-E(\mathbf{X}, \mathbf{h})}} \label{_auto82} \tag{82} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto83"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}} \sqrt{\sum_{\{h_j\}} e^{-\sum_i^M \frac{(X_i - a_i)^2}{2\sigma^2} + \sum_j^N b_j h_j + \sum_{i,j}^{M,N} \frac{X_i w_{ij} h_j}{\sigma^2}} } \label{_auto83} \tag{83} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto84"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}} e^{-\sum_i^M \frac{(X_i - a_i)^2}{4\sigma^2}} \sqrt{\sum_{\{h_j\}} \prod_j^N e^{b_j h_j + \sum_i^M \frac{X_i w_{ij} h_j}{\sigma^2}}} \label{_auto84} \tag{84} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto85"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}} e^{-\sum_i^M \frac{(X_i - a_i)^2}{4\sigma^2}} \sqrt{\prod_j^N \sum_{h_j} e^{b_j h_j + \sum_i^M \frac{X_i w_{ij} h_j}{\sigma^2}}} \label{_auto85} \tag{85} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto86"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}} e^{-\sum_i^M \frac{(X_i - a_i)^2}{4\sigma^2}} \prod_j^N \sqrt{e^0 + e^{b_j + \sum_i^M \frac{X_i w_{ij}}{\sigma^2}}} \label{_auto86} \tag{86} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto87"></div> $$ \begin{equation} = \frac{1}{\sqrt{Z}} e^{-\sum_i^M \frac{(X_i - a_i)^2}{4\sigma^2}} \prod_j^N \sqrt{1 + e^{b_j + \sum_i^M \frac{X_i w_{ij}}{\sigma^2}}} \label{_auto87} \tag{87} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto88"></div> $$ \begin{equation} \label{_auto88} \tag{88} \end{equation} $$ ### Cost function This is where we deviate from what is common in machine learning. Rather than defining a cost function based on some dataset, our cost function is the energy of the quantum mechanical system. From the variational principle we know that minizing this energy should lead to the ground state wavefunction. As stated previously the local energy is given by <!-- Equation labels as ordinary links --> <div id="_auto89"></div> $$ \begin{equation} E_L = \frac{1}{\Psi} \hat{\mathbf{H}} \Psi, \label{_auto89} \tag{89} \end{equation} $$ and the gradient is <!-- Equation labels as ordinary links --> <div id="_auto90"></div> $$ \begin{equation} G_i = \frac{\partial \langle E_L \rangle}{\partial \alpha_i} = 2(\langle E_L \frac{1}{\Psi}\frac{\partial \Psi}{\partial \alpha_i} \rangle - \langle E_L \rangle \langle \frac{1}{\Psi}\frac{\partial \Psi}{\partial \alpha_i} \rangle ), \label{_auto90} \tag{90} \end{equation} $$ where $\alpha_i = a_1,...,a_M,b_1,...,b_N,w_{11},...,w_{MN}$. We use that $\frac{1}{\Psi}\frac{\partial \Psi}{\partial \alpha_i} = \frac{\partial \ln{\Psi}}{\partial \alpha_i}$, and find <!-- Equation labels as ordinary links --> <div id="_auto91"></div> $$ \begin{equation} \ln{\Psi({\mathbf{X}})} = -\ln{Z} - \sum_m^M \frac{(X_m - a_m)^2}{2\sigma^2} + \sum_n^N \ln({1 + e^{b_n + \sum_i^M \frac{X_i w_{in}}{\sigma^2}})}. \label{_auto91} \tag{91} \end{equation} $$ This gives <!-- Equation labels as ordinary links --> <div id="_auto92"></div> $$ \begin{equation} \frac{\partial }{\partial a_m} \ln\Psi = \frac{1}{\sigma^2} (X_m - a_m) \label{_auto92} \tag{92} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto93"></div> $$ \begin{equation} \frac{\partial }{\partial b_n} \ln\Psi = \frac{1}{e^{-b_n-\frac{1}{\sigma^2}\sum_i^M X_i w_{in}} + 1} \label{_auto93} \tag{93} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto94"></div> $$ \begin{equation} \frac{\partial }{\partial w_{mn}} \ln\Psi = \frac{X_m}{\sigma^2(e^{-b_n-\frac{1}{\sigma^2}\sum_i^M X_i w_{in}} + 1)}. \label{_auto94} \tag{94} \end{equation} $$ If $\Psi = \sqrt{F_{rbm}}$ we have <!-- Equation labels as ordinary links --> <div id="_auto95"></div> $$ \begin{equation} \ln{\Psi({\mathbf{X}})} = -\frac{1}{2}\ln{Z} - \sum_m^M \frac{(X_m - a_m)^2}{4\sigma^2} + \frac{1}{2}\sum_n^N \ln({1 + e^{b_n + \sum_i^M \frac{X_i w_{in}}{\sigma^2}})}, \label{_auto95} \tag{95} \end{equation} $$ which results in <!-- Equation labels as ordinary links --> <div id="_auto96"></div> $$ \begin{equation} \frac{\partial }{\partial a_m} \ln\Psi = \frac{1}{2\sigma^2} (X_m - a_m) \label{_auto96} \tag{96} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto97"></div> $$ \begin{equation} \frac{\partial }{\partial b_n} \ln\Psi = \frac{1}{2(e^{-b_n-\frac{1}{\sigma^2}\sum_i^M X_i w_{in}} + 1)} \label{_auto97} \tag{97} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto98"></div> $$ \begin{equation} \frac{\partial }{\partial w_{mn}} \ln\Psi = \frac{X_m}{2\sigma^2(e^{-b_n-\frac{1}{\sigma^2}\sum_i^M X_i w_{in}} + 1)}. \label{_auto98} \tag{98} \end{equation} $$ Let us assume again that our Hamiltonian is <!-- Equation labels as ordinary links --> <div id="_auto99"></div> $$ \begin{equation} \hat{\mathbf{H}} = \sum_p^P (-\frac{1}{2}\nabla_p^2 + \frac{1}{2}\omega^2 r_p^2 ) + \sum_{p<q} \frac{1}{r_{pq}}, \label{_auto99} \tag{99} \end{equation} $$ where the first summation term represents the standard harmonic oscillator part and the latter the repulsive interaction between two electrons. Natural units ($\hbar=c=e=m_e=1$) are used, and $P$ is the number of particles. This gives us the following expression for the local energy ($D$ being the number of dimensions) <!-- Equation labels as ordinary links --> <div id="_auto100"></div> $$ \begin{equation} E_L = \frac{1}{\Psi} \mathbf{H} \Psi \label{_auto100} \tag{100} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto101"></div> $$ \begin{equation} = \frac{1}{\Psi} (\sum_p^P (-\frac{1}{2}\nabla_p^2 + \frac{1}{2}\omega^2 r_p^2 ) + \sum_{p<q} \frac{1}{r_{pq}}) \Psi \label{_auto101} \tag{101} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto102"></div> $$ \begin{equation} = -\frac{1}{2}\frac{1}{\Psi} \sum_p^P \nabla_p^2 \Psi + \frac{1}{2}\omega^2 \sum_p^P r_p^2 + \sum_{p<q} \frac{1}{r_{pq}} \label{_auto102} \tag{102} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto103"></div> $$ \begin{equation} = -\frac{1}{2}\frac{1}{\Psi} \sum_p^P \sum_d^D \frac{\partial^2 \Psi}{\partial x_{pd}^2} + \frac{1}{2}\omega^2 \sum_p^P r_p^2 + \sum_{p<q} \frac{1}{r_{pq}} \label{_auto103} \tag{103} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto104"></div> $$ \begin{equation} = \frac{1}{2} \sum_p^P \sum_d^D (-(\frac{\partial}{\partial x_{pd}} \ln\Psi)^2 -\frac{\partial^2}{\partial x_{pd}^2} \ln\Psi + \omega^2 x_{pd}^2) + \sum_{p<q} \frac{1}{r_{pq}}. \label{_auto104} \tag{104} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto105"></div> $$ \begin{equation} \label{_auto105} \tag{105} \end{equation} $$ Letting each visible node in the Boltzmann machine represent one coordinate of one particle, we obtain <!-- Equation labels as ordinary links --> <div id="_auto106"></div> $$ \begin{equation} E_L = \frac{1}{2} \sum_m^M (-(\frac{\partial}{\partial v_m} \ln\Psi)^2 -\frac{\partial^2}{\partial v_m^2} \ln\Psi + \omega^2 v_m^2) + \sum_{p<q} \frac{1}{r_{pq}}, \label{_auto106} \tag{106} \end{equation} $$ where we have that <!-- Equation labels as ordinary links --> <div id="_auto107"></div> $$ \begin{equation} \frac{\partial}{\partial x_m} \ln\Psi = - \frac{1}{\sigma^2}(x_m - a_m) + \frac{1}{\sigma^2} \sum_n^N \frac{w_{mn}}{e^{-b_n - \frac{1}{\sigma^2}\sum_i^M x_i w_{in}} + 1} \label{_auto107} \tag{107} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto108"></div> $$ \begin{equation} \frac{\partial^2}{\partial x_m^2} \ln\Psi = - \frac{1}{\sigma^2} + \frac{1}{\sigma^4}\sum_n^N \omega_{mn}^2 \frac{e^{b_n + \frac{1}{\sigma^2}\sum_i^M x_i w_{in}}}{(e^{b_n + \frac{1}{\sigma^2}\sum_i^M x_i w_{in}} + 1)^2}. \label{_auto108} \tag{108} \end{equation} $$ We now have all the expressions neeeded to calculate the gradient of the expected local energy with respect to the RBM parameters $\frac{\partial \langle E_L \rangle}{\partial \alpha_i}$. If we use $\Psi = \sqrt{F_{rbm}}$ we obtain <!-- Equation labels as ordinary links --> <div id="_auto109"></div> $$ \begin{equation} \frac{\partial}{\partial x_m} \ln\Psi = - \frac{1}{2\sigma^2}(x_m - a_m) + \frac{1}{2\sigma^2} \sum_n^N \frac{w_{mn}}{e^{-b_n-\frac{1}{\sigma^2}\sum_i^M x_i w_{in}} + 1} \label{_auto109} \tag{109} \end{equation} $$ <!-- Equation labels as ordinary links --> <div id="_auto110"></div> $$ \begin{equation} \frac{\partial^2}{\partial x_m^2} \ln\Psi = - \frac{1}{2\sigma^2} + \frac{1}{2\sigma^4}\sum_n^N \omega_{mn}^2 \frac{e^{b_n + \frac{1}{\sigma^2}\sum_i^M x_i w_{in}}}{(e^{b_n + \frac{1}{\sigma^2}\sum_i^M x_i w_{in}} + 1)^2}. \label{_auto110} \tag{110} \end{equation} $$ The difference between this equation and the previous one is that we multiply by a factor $1/2$. ## Python version for the two non-interacting particles ``` %matplotlib inline # 2-electron VMC code for 2dim quantum dot with importance sampling # Using gaussian rng for new positions and Metropolis- Hastings # Added restricted boltzmann machine method for dealing with the wavefunction # RBM code based heavily off of: # https://github.com/CompPhysics/ComputationalPhysics2/tree/gh-pages/doc/Programs/BoltzmannMachines/MLcpp/src/CppCode/ob from math import exp, sqrt from random import random, seed, normalvariate import numpy as np import matplotlib.pyplot as plt from mpl_toolkits.mplot3d import Axes3D from matplotlib import cm from matplotlib.ticker import LinearLocator, FormatStrFormatter import sys # Trial wave function for the 2-electron quantum dot in two dims def WaveFunction(r,a,b,w): sigma=1.0 sig2 = sigma**2 Psi1 = 0.0 Psi2 = 1.0 Q = Qfac(r,b,w) for iq in range(NumberParticles): for ix in range(Dimension): Psi1 += (r[iq,ix]-a[iq,ix])**2 for ih in range(NumberHidden): Psi2 *= (1.0 + np.exp(Q[ih])) Psi1 = np.exp(-Psi1/(2*sig2)) return Psi1*Psi2 # Local energy for the 2-electron quantum dot in two dims, using analytical local energy def LocalEnergy(r,a,b,w): sigma=1.0 sig2 = sigma**2 locenergy = 0.0 Q = Qfac(r,b,w) for iq in range(NumberParticles): for ix in range(Dimension): sum1 = 0.0 sum2 = 0.0 for ih in range(NumberHidden): sum1 += w[iq,ix,ih]/(1+np.exp(-Q[ih])) sum2 += w[iq,ix,ih]**2 * np.exp(Q[ih]) / (1.0 + np.exp(Q[ih]))**2 dlnpsi1 = -(r[iq,ix] - a[iq,ix]) /sig2 + sum1/sig2 dlnpsi2 = -1/sig2 + sum2/sig2**2 locenergy += 0.5*(-dlnpsi1*dlnpsi1 - dlnpsi2 + r[iq,ix]**2) if(interaction==True): for iq1 in range(NumberParticles): for iq2 in range(iq1): distance = 0.0 for ix in range(Dimension): distance += (r[iq1,ix] - r[iq2,ix])**2 locenergy += 1/sqrt(distance) return locenergy # Derivate of wave function ansatz as function of variational parameters def DerivativeWFansatz(r,a,b,w): sigma=1.0 sig2 = sigma**2 Q = Qfac(r,b,w) WfDer = np.empty((3,),dtype=object) WfDer = [np.copy(a),np.copy(b),np.copy(w)] WfDer[0] = (r-a)/sig2 WfDer[1] = 1 / (1 + np.exp(-Q)) for ih in range(NumberHidden): WfDer[2][:,:,ih] = w[:,:,ih] / (sig2*(1+np.exp(-Q[ih]))) return WfDer # Setting up the quantum force for the two-electron quantum dot, recall that it is a vector def QuantumForce(r,a,b,w): sigma=1.0 sig2 = sigma**2 qforce = np.zeros((NumberParticles,Dimension), np.double) sum1 = np.zeros((NumberParticles,Dimension), np.double) Q = Qfac(r,b,w) for ih in range(NumberHidden): sum1 += w[:,:,ih]/(1+np.exp(-Q[ih])) qforce = 2*(-(r-a)/sig2 + sum1/sig2) return qforce def Qfac(r,b,w): Q = np.zeros((NumberHidden), np.double) temp = np.zeros((NumberHidden), np.double) for ih in range(NumberHidden): temp[ih] = (r*w[:,:,ih]).sum() Q = b + temp return Q # Computing the derivative of the energy and the energy def EnergyMinimization(a,b,w): NumberMCcycles= 10000 # Parameters in the Fokker-Planck simulation of the quantum force D = 0.5 TimeStep = 0.05 # positions PositionOld = np.zeros((NumberParticles,Dimension), np.double) PositionNew = np.zeros((NumberParticles,Dimension), np.double) # Quantum force QuantumForceOld = np.zeros((NumberParticles,Dimension), np.double) QuantumForceNew = np.zeros((NumberParticles,Dimension), np.double) # seed for rng generator seed() energy = 0.0 DeltaE = 0.0 EnergyDer = np.empty((3,),dtype=object) DeltaPsi = np.empty((3,),dtype=object) DerivativePsiE = np.empty((3,),dtype=object) EnergyDer = [np.copy(a),np.copy(b),np.copy(w)] DeltaPsi = [np.copy(a),np.copy(b),np.copy(w)] DerivativePsiE = [np.copy(a),np.copy(b),np.copy(w)] for i in range(3): EnergyDer[i].fill(0.0) for i in range(3): DeltaPsi[i].fill(0.0) for i in range(3): DerivativePsiE[i].fill(0.0) #Initial position for i in range(NumberParticles): for j in range(Dimension): PositionOld[i,j] = normalvariate(0.0,1.0)*sqrt(TimeStep) wfold = WaveFunction(PositionOld,a,b,w) QuantumForceOld = QuantumForce(PositionOld,a,b,w) #Loop over MC MCcycles for MCcycle in range(NumberMCcycles): #Trial position moving one particle at the time for i in range(NumberParticles): for j in range(Dimension): PositionNew[i,j] = PositionOld[i,j]+normalvariate(0.0,1.0)*sqrt(TimeStep)+\ QuantumForceOld[i,j]*TimeStep*D wfnew = WaveFunction(PositionNew,a,b,w) QuantumForceNew = QuantumForce(PositionNew,a,b,w) GreensFunction = 0.0 for j in range(Dimension): GreensFunction += 0.5*(QuantumForceOld[i,j]+QuantumForceNew[i,j])*\ (D*TimeStep*0.5*(QuantumForceOld[i,j]-QuantumForceNew[i,j])-\ PositionNew[i,j]+PositionOld[i,j]) GreensFunction = exp(GreensFunction) ProbabilityRatio = GreensFunction*wfnew**2/wfold**2 #Metropolis-Hastings test to see whether we accept the move if random() <= ProbabilityRatio: for j in range(Dimension): PositionOld[i,j] = PositionNew[i,j] QuantumForceOld[i,j] = QuantumForceNew[i,j] wfold = wfnew #print("wf new: ", wfnew) #print("force on 1 new:", QuantumForceNew[0,:]) #print("pos of 1 new: ", PositionNew[0,:]) #print("force on 2 new:", QuantumForceNew[1,:]) #print("pos of 2 new: ", PositionNew[1,:]) DeltaE = LocalEnergy(PositionOld,a,b,w) DerPsi = DerivativeWFansatz(PositionOld,a,b,w) DeltaPsi[0] += DerPsi[0] DeltaPsi[1] += DerPsi[1] DeltaPsi[2] += DerPsi[2] energy += DeltaE DerivativePsiE[0] += DerPsi[0]*DeltaE DerivativePsiE[1] += DerPsi[1]*DeltaE DerivativePsiE[2] += DerPsi[2]*DeltaE # We calculate mean values energy /= NumberMCcycles DerivativePsiE[0] /= NumberMCcycles DerivativePsiE[1] /= NumberMCcycles DerivativePsiE[2] /= NumberMCcycles DeltaPsi[0] /= NumberMCcycles DeltaPsi[1] /= NumberMCcycles DeltaPsi[2] /= NumberMCcycles EnergyDer[0] = 2*(DerivativePsiE[0]-DeltaPsi[0]*energy) EnergyDer[1] = 2*(DerivativePsiE[1]-DeltaPsi[1]*energy) EnergyDer[2] = 2*(DerivativePsiE[2]-DeltaPsi[2]*energy) return energy, EnergyDer #Here starts the main program with variable declarations NumberParticles = 2 Dimension = 2 NumberHidden = 2 interaction=False # guess for parameters a=np.random.normal(loc=0.0, scale=0.001, size=(NumberParticles,Dimension)) b=np.random.normal(loc=0.0, scale=0.001, size=(NumberHidden)) w=np.random.normal(loc=0.0, scale=0.001, size=(NumberParticles,Dimension,NumberHidden)) # Set up iteration using stochastic gradient method Energy = 0 EDerivative = np.empty((3,),dtype=object) EDerivative = [np.copy(a),np.copy(b),np.copy(w)] # Learning rate eta, max iterations, need to change to adaptive learning rate eta = 0.001 MaxIterations = 50 iter = 0 np.seterr(invalid='raise') Energies = np.zeros(MaxIterations) EnergyDerivatives1 = np.zeros(MaxIterations) EnergyDerivatives2 = np.zeros(MaxIterations) while iter < MaxIterations: Energy, EDerivative = EnergyMinimization(a,b,w) agradient = EDerivative[0] bgradient = EDerivative[1] wgradient = EDerivative[2] a -= eta*agradient b -= eta*bgradient w -= eta*wgradient Energies[iter] = Energy print("Energy:",Energy) #EnergyDerivatives1[iter] = EDerivative[0] #EnergyDerivatives2[iter] = EDerivative[1] #EnergyDerivatives3[iter] = EDerivative[2] iter += 1 #nice printout with Pandas import pandas as pd from pandas import DataFrame pd.set_option('max_columns', 6) data ={'Energy':Energies}#,'A Derivative':EnergyDerivatives1,'B Derivative':EnergyDerivatives2,'Weights Derivative':EnergyDerivatives3} frame = pd.DataFrame(data) print(frame) ```
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# -*- coding: utf-8 -*- # ------------------------------------------------------------------------- # 文件目的:演示通过岭回归算法来控制过拟合 # 创建日期:2018/2/3 # ------------------------------------------------------------------------- from math import sqrt import matplotlib.pyplot as plt import numpy as np from sklearn import linear_model from bk.pa.common import open_url """ """ target_url = "http://archive.ics.uci.edu/ml/machine-learning-databases/wine-quality/winequality-red.csv" # ---------------------------------------------------------------------------- # ~ Main if __name__ == '__main__': # 存放标签和数据到列表中 xList = [] labels = [] # 判别标志 names = [] # 字段标题 # 首行存储字段标题 firstLine = True # 读入Winequality数据集,并且将其解析为包含标签与属性的记录 with open_url(target_url) as data: for line in data: if firstLine: names = line.strip().split(";") firstLine = False else: row = line.strip().split(";") labels.append(float(row[-1])) row.pop() floatRow = [float(num) for num in row] xList.append(floatRow) # 将数据集分为2个子集: indices = range(len(xList)) # 总行数 # 测试集xListTest包含1/3的数据 xListTest = [xList[i] for i in indices if i % 3 == 0] # 训练集xListTrain包含2/3的数据 xListTrain = [xList[i] for i in indices if i % 3 != 0] labelsTest = [labels[i] for i in indices if i % 3 == 0] labelsTrain = [labels[i] for i in indices if i % 3 != 0] # 检查下各数据形态 xTrain = np.array(xListTrain); yTrain = np.array(labelsTrain) xTest = np.array(xListTest); yTest = np.array(labelsTest) print("Shape of xTrain array", xTrain.shape) print("Shape of yTrain array", yTrain.shape) print("Shape of xTest array", xTest.shape) print("Shape of yTest array", yTest.shape) # 惩罚系数 alphaList = [0.1 ** i for i in [0, 1, 2, 3, 4, 5, 6]] # 输出错误率 rmsError = [] for alph in alphaList: # 使用scikit-learn的岭回归算法 wineRidgeModel = linear_model.Ridge(alpha=alph) wineRidgeModel.fit(xTrain, yTrain) # 错误率 = rmsError.append(np.linalg.norm((yTest - wineRidgeModel.predict(xTest)), 2) / sqrt(len(yTest))) sqrt(len(yTest)) print("RMS Error alpha") for i in range(len(rmsError)): print(rmsError[i], alphaList[i]) # 输出错误率与alph取值间的联系 x = range(len(rmsError)) plt.plot(x, rmsError, 'k') plt.xlabel('-log(alpha)') plt.ylabel('Error (RMS)') plt.show() # 输出使用岭回归的实际口感得分与预测得分的散点图 indexBest = rmsError.index(min(rmsError)) alph = alphaList[indexBest] wineRidgeModel = linear_model.Ridge(alpha=alph) wineRidgeModel.fit(xTrain, yTrain) errorVector = yTest - wineRidgeModel.predict(xTest) plt.hist(errorVector) plt.xlabel("Bin Boundaries") plt.ylabel("Counts") plt.show() # 输出预测错误(错误率)的直方图 plt.scatter(wineRidgeModel.predict(xTest), yTest, s=100, alpha=0.10) plt.xlabel('Predicted Taste Score') plt.ylabel('Actual Taste Score') plt.show()
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// introduces boost::barrier to make multiple threads wait at a specific point #define BOOST_THREAD_VERSION 4 #include <boost/thread.hpp> #include <boost/thread/synchronized_value.hpp> // include required #include <boost/asio.hpp> #include <string> #include <sstream> #include <iostream> #include <functional> std::string get_robotstxt(const std::string &host) { using namespace boost::asio; io_service ioservice; ip::tcp::resolver resolver(ioservice); ip::tcp::resolver::query query(host, "http"); auto it = resolver.resolve(query); ip::tcp::socket socket(ioservice); socket.connect(*it); std::string request = "GET /robots.txt HTTP/1.1\r\nHost: " + host + "\r\n\r\n"; write(socket, buffer(request)); streambuf response; boost::system::error_code ec; read(socket, response, transfer_all(), ec); if (ec == error::eof) { std::ostringstream os; os << &response; std::string s = os.str(); std::size_t idx = s.find("\r\n\r\n"); if (idx != std::string::npos) s.erase(0, idx + 4); return s; } return ""; } boost::synchronized_value<std::vector<std::string>, boost::mutex> lines; // barrier to make two threads wait boost::barrier barrier(2); void store_lines_from_robotstxt_and_output_them(const std::string &host) { std::string robotstxt = get_robotstxt(host); std::istringstream is(robotstxt); std::string s; while (std::getline(is, s)) { auto p = lines.synchronize(); p->emplace_back(s); } // wait() blocks until the required number of threads has called wait(); // wait() returns true for only one thread if (barrier.wait()) { // value() provides unsynchronized access (no synchronization required // as only one thread iterates over and outputs the lines) for (auto &line : lines.value()) std::cout << line << '\n'; } } int main() { boost::thread_group group; group.create_thread(std::bind(store_lines_from_robotstxt_and_output_them, "theboostcpplibraries.com")); group.create_thread(std::bind(store_lines_from_robotstxt_and_output_them, "dieboostcppbibliotheken.de")); group.join_all(); }
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import os import sys import logging import datetime import warnings import pickle from shutil import copyfile import numpy as np from preprocessing import load_scramble_data from parameter_parser import Parameters from algorithms.decision_tree import DecisionTree from algorithms.random_forest import RandomForest from algorithms.feed_forward_nn import FeedForwardNN # Mute CPU- and OS-specific warnings from TensorFlow backend of FeedForwardNN os.environ['KMP_WARNINGS'] = 'off' os.environ['KMP_AFFINITY'] = 'disabled' # Header detailing version that's printed out at the beginning of each run and at the top of each log file header = ['Multisource Input Model Output Security Analysis Suite (MIMOSAS) v1.0.0-release.1', 'Copyright (C) 2019 University of California, Berkeley', 'https://complexity.berkeley.edu/mimosas/'] def start_logger(path): """ Start and return a new logger. Add console and file outputs. @params: path - Required : path to desired file output of logger (Str) """ # Create new logger logger = logging.getLogger(path) logger.setLevel(logging.DEBUG) # Create output options for logger (file & console) file_handler = logging.FileHandler(path) stream_handler = logging.StreamHandler(sys.stdout) # Formate output formatter = logging.Formatter('%(asctime)s [%(levelname)s] %(message)s') file_handler.setFormatter(formatter) stream_handler.setFormatter(formatter) # Catch all outputs file_handler.setLevel(logging.DEBUG) stream_handler.setLevel(logging.DEBUG) # Add output options to logger logger.addHandler(file_handler) logger.addHandler(stream_handler) return logger def stop_logger(logger): """ Detatch console and file outputs from logger and delete logger @params: logger - Required : logger object to be stopped (Logger) """ for handler in logger.handlers: logger.removeHandler(handler) del handler del logger def create_session_directory(algorithm): """ Creates directory to hold files for this algorithm's execution session; returns its filepath @params: algorithm - Required : name of the algorithm being run this session """ # Path string based on UTC time (second precision) at the time of creation session = datetime.datetime.utcnow().strftime('%Y_%b_%d_%Hh_%Mm_%Ss') path = os.path.join('.', 'saved_models', algorithm, session) # Create directory at path if it doesn't already exist if not os.path.exists(path): os.makedirs(path) return path def main(main_path): """ Parse command line arguments and run either train or test mode """ # Output program header with open('mimosas.txt', 'r') as f: contents = f.read() print(contents) print() for line in header: print(line) print('\n') # Parse config file parameters = Parameters(main_path) # Run indicated models if ('DECISION_TREE' in parameters.config.sections()): run_decision_tree(parameters) if ('RANDOM_FOREST' in parameters.config.sections()): run_random_forest(parameters) if ('FEED_FORWARD' in parameters.config.sections()): run_feed_forward_nn(parameters) def run_decision_tree(parameters): """ Run decision tree - including train, test, validation if applicable as indicated in the config file @params: parameters - Required : parameter object containing parameters loaded from config file (Parameter) """ # Create session directory path = create_session_directory('decision_tree') # Copy session config file used as backup copyfile(parameters.config_file, os.path.join(path, 'used_conf.config')) # Create session logger logger = start_logger(os.path.join(path, 'training.log')) for line in header: logger.info(line) logger.info('') # Initialize models object models = DecisionTree(parameters, path, logger) # Check for loadable models if 'Train' in parameters.config['MAIN']['Mode'].split(','): # If the Load_Model_Path parameter in CONFIG is left blank, don't bother trying to load a model. if parameters.config['DECISION_TREE']['Load_Model_Path']: # Try to load a model from the specified path. try: models.load_models(parameters.config['DECISION_TREE']['Load_Model_Path']) # If load fails, train from scratch instead. except: logger.info('There is no loadable models object at: ' + parameters.config['DECISION_TREE']['Load_Model_Path']) logger.info('MIMOSAS will train new model(s) from scratch.') logger.info('') # If load is successful, prepare to continue training. else: # Report successful load to terminal; this session's logfile will be overwritten with log from model's history. logger.info('Loadable models object found at ' + parameters.config['DECISION_TREE']['Load_Model_Path']) # Copy loaded model to the session directory copyfile(parameters.config['DECISION_TREE']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['DECISION_TREE']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['DECISION_TREE']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) else: if 'Test' in parameters.config['MAIN']['Mode'].split(','): # Try to load a model from the specified path. try: models.load_models(parameters.config['DECISION_TREE']['Load_Model_Path']) # If load fails, exit function because there is nothing to test. except: logger.info('There is no loadable models object to test at: ' + parameters.config['DECISION_TREE']['Load_Model_Path']) logger.info('Exiting Decision Tree.') stop_logger(logger) return None # If load is successful, prepare to test. else: # Report successful load to terminal; this session's logfile will be overwritten with log from model's history. logger.info('Loadable models object found at ' + parameters.config['DECISION_TREE']['Load_Model_Path']) # Copy loaded model to the session directory copyfile(parameters.config['DECISION_TREE']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['DECISION_TREE']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['DECISION_TREE']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) # Load data X_train, X_test, y_train, y_test = load_scramble_data(parameters, logger) # Train, if specified in CONFIG if 'Train' in parameters.config['MAIN']['Mode'].split(','): logger.info('Running DecisionTree in Train Mode.') logger.info('') models.train(X_train, y_train) # Save model, if specified in CONFIG # Note: Overwrites saved model (check if True) if parameters.config['MAIN']['Save'] == 'True': models.save_models() # Exit Train Mode execution logger.info('DONE TRAINING.') logger.info('') logger.info('') # Test, if specified in CONFIG if ('Test' in parameters.config['MAIN']['Mode']): logger.info('Running DecisionTree in Test Mode.') logger.info('') # Score the model's prediction performance on the test set. models.test(X_test, y_test) # Exit Test Mode execution logger.info('DONE TESTING.') logger.info('') logger.info('') # Stop logger stop_logger(logger) def run_random_forest(parameters): """ Run random forest - including train, test, validation if applicable as indicated in the config file @params: parameters - Required : parameter object containing parameters loaded from config file (Parameter) """ # Create session directory path = create_session_directory('random_forest') # Copy session config file used as backup copyfile(parameters.config_file, os.path.join(path, 'used_conf.config')) # Create session logger logger = start_logger(os.path.join(path, 'training.log')) for line in header: logger.info(line) logger.info('') # Initialize models object models = RandomForest(parameters, path, logger) # Check for loadable models if 'Train' in parameters.config['MAIN']['Mode'].split(','): # If the Load_Model_Path parameter in CONFIG is left blank, don't bother trying to load a model. if parameters.config['RANDOM_FOREST']['Load_Model_Path']: # Try to load a model from the specified path. try: models.load_models(parameters.config['RANDOM_FOREST']['Load_Model_Path']) # If load fails, train from scratch instead. except: logger.info('There is no loadable models object at: ' + parameters.config['RANDOM_FOREST']['Load_Model_Path']) logger.info('MIMOSAS will train new model(s) from scratch.') logger.info('') # If load is successful, prepare to continue training. else: # Report successful load to terminal; this session's logfile will be overwritten with log from model's history. logger.info('Loadable models object found at ' + parameters.config['RANDOM_FOREST']['Load_Model_Path']) # Copy loaded model to the session directory copyfile(parameters.config['RANDOM_FOREST']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['RANDOM_FOREST']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['RANDOM_FOREST']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) else: if 'Test' in parameters.config['MAIN']['Mode'].split(','): # Try to load a model from the specified path. try: models.load_models(parameters.config['RANDOM_FOREST']['Load_Model_Path']) # If load fails, exit function because there is nothing to test. except: logger.info('There is no loadable models object to test at: ' + parameters.config['RANDOM_FOREST']['Load_Model_Path']) logger.info('Exiting Random Forest.') stop_logger(logger) return None # If load is successful, prepare to test. else: # Report successful load to terminal; this session's logfile will be overwritten with log from model's history. logger.info('Loadable models object found at ' + parameters.config['RANDOM_FOREST']['Load_Model_Path']) # Copy loaded model to the session directory copyfile(parameters.config['RANDOM_FOREST']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['RANDOM_FOREST']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['RANDOM_FOREST']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) # Report successful load logger.info('Models object successfully loaded.') # Load data X_train, X_test, y_train, y_test = load_scramble_data(parameters, logger) # Train, if specified in CONFIG if 'Train' in parameters.config['MAIN']['Mode'].split(','): logger.info('Running RandomForest in Train Mode.') logger.info('') models.train(X_train, y_train) # Save model, if specified in CONFIG # Note: Overwrites saved model (check if True) if parameters.config['MAIN']['Save'] == 'True': models.save_models() # Exit Train Mode execution logger.info('DONE TRAINING.') logger.info('') logger.info('') # Test, if specified in CONFIG if ('Test' in parameters.config['MAIN']['Mode']): logger.info('Running RandomForest in Test Mode.') logger.info('') # Score the model's prediction performance on the test set. models.test(X_test, y_test) # Exit Test Mode execution logger.info('DONE TESTING.') logger.info('') logger.info('') # Stop logger stop_logger(logger) def run_feed_forward_nn(parameters): """ Run feed-forward NN - including train, test, validation if applicable as indicated in the config file @params: parameters - Required : parameter object containing parameters loaded from config file (Parameter) """ # Create session directory path = create_session_directory('feed_forward_nn') # Copy session config file used as backup copyfile(parameters.config_file, os.path.join(path, 'used_conf.config')) # Create session logger logger = start_logger(os.path.join(path, 'training.log')) for line in header: logger.info(line) logger.info('') # Initialize models object models = FeedForwardNN(parameters, path, logger) # Check for loadable models if 'Train' in parameters.config['MAIN']['Mode'].split(','): # If the Load_Model_Path parameter in CONFIG is left blank, don't bother trying to load a model. if parameters.config['FEED_FORWARD']['Load_Model_Path']: # Try to load a model from the specified path. try: models.load_models(parameters.config['FEED_FORWARD']['Load_Model_Path']) # If load fails, train from scratch instead. except: logger.info('There is no loadable models object at: ' + parameters.config['FEED_FORWARD']['Load_Model_Path']) logger.info('MIMOSAS will train new model(s) from scratch.') logger.info('') # If load is successful, prepare to continue training. else: # Copy loaded model to the session directory # copyfile(parameters.config['FEED_FORWARD']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['FEED_FORWARD']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['FEED_FORWARD']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) # Report successful load to terminal; this session's logfile will be overwritten with log from model's history. logger.info('Loadable models object found at ' + parameters.config['FEED_FORWARD']['Load_Model_Path']) else: if 'Test' in parameters.config['MAIN']['Mode'].split(','): # Try to load a model from the specified path. try: models.load_models(parameters.config['FEED_FORWARD']['Load_Model_Path']) # If load fails, exit function because there is nothing to test. except: logger.info('There is no loadable models object to test at: ' + parameters.config['FEED_FORWARD']['Load_Model_Path']) logger.info('Exiting FeedForwardNN.') stop_logger(logger) return None # If load is successful, prepare to test. else: # Copy loaded model to the session directory copyfile(parameters.config['FEED_FORWARD']['Load_Model_Path'], os.path.join(path, os.path.basename(parameters.config['FEED_FORWARD']['Load_Model_Path']))) # Copy loaded training log copyfile(os.path.join(os.path.dirname(parameters.config['FEED_FORWARD']['Load_Model_Path']), 'training.log'), os.path.join(path, 'training.log')) # Nicely-formatted parameters of the most successful classifier in the loaded models object logger.info('Models successfully loaded; the best-performing model has the following parameters:') for param, value in models.models.best_estimator_.get_params().items(): logger.info('{}: {}'.format(param, value)) logger.info('') # Load data X_train, X_test, y_train, y_test = load_scramble_data(parameters, logger) # Train, if specified in CONFIG if 'Train' in parameters.config['MAIN']['Mode'].split(','): logger.info('Running FeedForwardNN in Train Mode.') logger.info('') models.train(X_train, y_train) # Save model, if specified in CONFIG # Note: Overwrites saved model (check if True) if parameters.config['MAIN']['Save'] == 'True': models.save_models() logger.info('DONE TRAINING.') logger.info('') logger.info('') # Test, if specified in CONFIG if ('Test' in parameters.config['MAIN']['Mode']): logger.info('Running FeedForwardNN in Test Mode.') logger.info('') # Score the model's prediction performance on the test set. models.test(X_test, y_test) # If feature selection is indicated in the CONFIG file, use the RFA and RFE # algorithms to quantify model performance as a function of input feature set if (parameters.config['FEED_FORWARD']['Feature_Selection'] == 'True'): models.recursive_feature_addition(X_train, X_test, y_train, y_test) models.recursive_feature_elimination(X_train, X_test, y_train, y_test) # Exit execution logger.info('DONE TESTING.') logger.info('') logger.info('') # Stop logger stop_logger(logger) if __name__ == '__main__': with warnings.catch_warnings(): warnings.simplefilter("ignore") main_path = os.path.dirname(sys.argv[0]); main(main_path)
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# Make data using sklearn import numpy as np from sklearn.datasets import make_blobs points, y = make_blobs(n_samples=20, centers=3, n_features=2, random_state=0) # Compute HDBSCAN* in parallel using our algorithm from pyhdbscan import HDBSCAN dendro = HDBSCAN(points, 3) # minPts = 3 # Visualize dendrogram using scipy from matplotlib import pyplot as plt from scipy.cluster.hierarchy import dendrogram, linkage fig = plt.figure(figsize=(3,2.3)) dn = dendrogram(dendro, color_threshold=0, no_labels=True) fig.savefig("example.pdf")
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import pandas as pd import os as os import sqlite3 import matplotlib.pyplot as plt import re import time import numpy try: from ladybug.sql import SQLiteResult from ladybug.datacollection import HourlyContinuousCollection, \ MonthlyCollection, DailyCollection except ImportError as e: raise ImportError('\nFailed to import ladybug:\n\t{}'.format(e)) try: from honeybee.config import folders except ImportError as e: raise ImportError('\nFailed to import honeybee:\n\t{}'.format(e)) try: from honeybee_energy.result.loadbalance import LoadBalance except ImportError as e: raise ImportError('\nFailed to import honeybee_energy:\n\t{}'.format(e)) try: import ladybug.datatype except ImportError as e: raise ImportError('\nFailed to import ladybug:\n\t{}'.format(e)) try: from ladybug.datacollection import BaseCollection except ImportError as e: raise ImportError('\nFailed to import ladybug:\n\t{}'.format(e)) def subtract_loss_from_gain(gain_load, loss_load): """Create a single DataCollection from gains and losses.""" total_loads = [] for gain, loss in zip(gain_load, loss_load): total_load = gain - loss total_load.header.metadata['type'] = \ total_load.header.metadata['type'].replace('Gain ', '') total_loads.append(total_load) return total_loads def serialize_data(data_dicts): """Reserialize a list of collection dictionaries.""" if len(data_dicts) == 0: return [] elif data_dicts[0]['type'] == 'HourlyContinuousCollection': return [HourlyContinuousCollection.from_dict(data) for data in data_dicts] elif data_dicts[0]['type'] == 'MonthlyCollection': return [MonthlyCollection.from_dict(data) for data in data_dicts] elif data_dicts[0]['type'] == 'DailyCollection': return [DailyCollection.from_dict(data) for data in data_dicts] def pos(col): return col[col > 0].sum() def neg(col): return col[col < 0].sum() # List of all the output strings that will be requested cooling_outputs = LoadBalance.COOLING + ( 'Cooling Coil Electricity Energy', 'Chiller Electricity Energy', 'Zone VRF Air Terminal Cooling Electricity Energy', 'VRF Heat Pump Cooling Electricity Energy', 'Chiller Heater System Cooling Electricity Energy', 'District Cooling Chilled Water Energy', 'Evaporative Cooler Electricity Energy') heating_outputs = LoadBalance.HEATING + ( 'Boiler NaturalGas Energy', 'Heating Coil Total Heating Energy', 'Heating Coil NaturalGas Energy', 'Heating Coil Electricity Energy', 'Humidifier Electricity Energy', 'Zone VRF Air Terminal Heating Electricity Energy', 'VRF Heat Pump Heating Electricity Energy', 'VRF Heat Pump Defrost Electricity Energy', 'VRF Heat Pump Crankcase Heater Electricity Energy', 'Chiller Heater System Heating Electricity Energy', 'District Heating Hot Water Energy', 'Baseboard Electricity Energy', 'Hot_Water_Loop_Central_Air_Source_Heat_Pump Electricity Consumption', 'Boiler Electricity Energy', 'Water Heater NaturalGas Energy', 'Water Heater Electricity Energy', 'Cooling Coil Water Heating Electricity Energy') lighting_outputs = LoadBalance.LIGHTING electric_equip_outputs = LoadBalance.ELECTRIC_EQUIP gas_equip_outputs = LoadBalance.GAS_EQUIP process_outputs = LoadBalance.PROCESS shw_outputs = ('Water Use Equipment Heating Energy',) + LoadBalance.HOT_WATER fan_electric_outputs = ( 'Zone Ventilation Fan Electricity Energy', 'Fan Electricity Energy', 'Cooling Tower Fan Electricity Energy') pump_electric_outputs = 'Pump Electricity Energy' people_gain_outputs = LoadBalance.PEOPLE_GAIN solar_gain_outputs = LoadBalance.SOLAR_GAIN infil_gain_outputs = LoadBalance.INFIL_GAIN infil_loss_outputs = LoadBalance.INFIL_LOSS vent_loss_outputs = LoadBalance.VENT_LOSS vent_gain_outputs = LoadBalance.VENT_GAIN nat_vent_gain_outputs = LoadBalance.NAT_VENT_GAIN nat_vent_loss_outputs = LoadBalance.NAT_VENT_LOSS Fresh_Air="Zone Infiltration Current Density Volume Flow Rate" Mechanical_Vent="Zone Mechanical Ventilation Mass Flow Rate" all_output = \ [cooling_outputs, heating_outputs, lighting_outputs, electric_equip_outputs, gas_equip_outputs, process_outputs, shw_outputs, fan_electric_outputs, pump_electric_outputs, people_gain_outputs, solar_gain_outputs, infil_gain_outputs, infil_loss_outputs, vent_loss_outputs, vent_gain_outputs, nat_vent_gain_outputs, nat_vent_loss_outputs] _sql=r'C:\Users\JTHOM\OneDrive - Ramboll\Documents\Dump\Sql\de66f1cf\outputs\sql\eplusout.sql' def get_SQL(sql_FP): #assert os.path.isfile(_sql), 'No sql file found at: {}.'.format(_sql) assert os.path.isfile(sql_FP), 'No sql file found at: {}.'.format(_sql) # small file on windows; use IronPython like usual # create the SQL result parsing object sql_obj = SQLiteResult(sql_FP) # get all of the results relevant for energy use cooling = sql_obj.data_collections_by_output_name(cooling_outputs) heating = sql_obj.data_collections_by_output_name(heating_outputs) lighting = sql_obj.data_collections_by_output_name(lighting_outputs) electric_equip = sql_obj.data_collections_by_output_name(electric_equip_outputs) hot_water = sql_obj.data_collections_by_output_name(shw_outputs) vent_masss_flow= sql_obj.data_collections_by_output_name(Mechanical_Vent) #fresh_air_Flow= sql_obj.data_collections_by_output_name(Fresh_Air) infil_gain = sql_obj.data_collections_by_output_name(infil_gain_outputs) infil_loss = sql_obj.data_collections_by_output_name(infil_loss_outputs) vent_loss = sql_obj.data_collections_by_output_name(vent_loss_outputs) vent_gain = sql_obj.data_collections_by_output_name(vent_gain_outputs) # do arithmetic with any of the gain/loss data collections if len(infil_gain) == len(infil_loss): infiltration_load = subtract_loss_from_gain(infil_gain, infil_loss) if len(vent_gain) == len(vent_loss) == len(cooling) == len(heating): mech_vent_loss = subtract_loss_from_gain(heating, vent_loss) mech_vent_gain = subtract_loss_from_gain(cooling, vent_gain) mech_vent_load = [data.duplicate() for data in subtract_loss_from_gain(mech_vent_gain, mech_vent_loss)] for load in mech_vent_load: load.header.metadata['type'] = \ 'Zone Ideal Loads Ventilation Heat Energy' Results_Dict={"out:Annual Heat":heating,"out:Annual Cool":cooling,"out:Annual Lighting":lighting,"out:Annual Elec equipt":electric_equip, "out:Annual DHW":hot_water,"out:Annual Mech Ventilation":vent_masss_flow,'out: Infiltration Load':infiltration_load, "out:Mech Vent Load":mech_vent_load} return(Results_Dict) def sql_Data(_data,type_): operator = '+' statement = 'data {} data_i'.format(operator) # perform the arithmetic operation data = _data[0] for data_i in _data[1:]: data = eval(statement, {'data': data, 'data_i': data_i}) # I love Python! # try to replace the data collection type try: data = data.duplicate() if type_: data.header.metadata['type'] = type_ elif 'type' in data.header.metadata: d_unit = data.header.unit for key in ladybug.datatype.UNITS: if d_unit in ladybug.datatype.UNITS[key]: base_type = ladybug.datatype.TYPESDICT[key]() data.header.metadata['type'] = str(base_type) break else: data.header.metadata['type'] = 'Unknown Data Type' if 'System' in data.header.metadata: data.header.metadata.pop('System') if 'Zone' in data.header.metadata: data.header.metadata.pop('Zone') except AttributeError: pass # data was not a data collection; just return it anyway return(list(data.values)) def Results_PP(Results_Dict,Name): t1=time.time() Results=[sql_Data(k,v) for k,v in zip(Results_Dict.values(),Results_Dict.keys())] DF=pd.DataFrame(Results,index=Results_Dict.keys()).T Index=pd.date_range(start='1/1/2021', periods=8760, freq='h') DF=DF.set_index(Index) Summed_Totals=DF.sum() Summed_Totals['out:Name']=Name #Fresh air load pre processing Summed_Totals["out:FA Cooling Load"]=DF["out:Mech Vent Load"].agg([pos])['pos'] Summed_Totals["out:FA Heating Load"]=DF["out:Mech Vent Load"].agg([neg])['neg'] Summed_Totals["out:FA Total Load"]=(-1*Summed_Totals["out:FA Heating Load"])+Summed_Totals["out:FA Cooling Load"] #Infiltration load pre processing Summed_Totals["out:INF Cooling Load"]=DF['out: Infiltration Load'].agg([pos])['pos'] Summed_Totals["out:INF Heating Load"]=DF['out: Infiltration Load'].agg([neg])['neg'] Summed_Totals["out:INF Total Load"]=(-1*Summed_Totals["out:INF Heating Load"])+Summed_Totals["out:INF Cooling Load"] print(Summed_Totals) #Summed_Totals["out:FA Cooling Load"]=Temp["out:FA Cooling Load"] #Summed_Totals["out:FA Heating Load"]=Temp["out:FA Heating Load"] Dict=Summed_Totals.to_dict() t2=time.time() print(("It takes %s seconds to extract "+Name) % (t2 - t1)) return(Dict) def extract_name(Name): print(Name) Code=re.split("_",Name)[1] #print(Code) _Wall=Code[0] _Roof=Code[1] _Ground_Floor=Code[2] _Glazing=Code[3] _Rooflights=Code[4] _Airtightness=Code[5] Wall=[{'Name':'Wall.Basecase_'}, {'Name':'Wall.Regs_'}, {'Name':'Wall.Pilot_'}][int(_Wall)] Roof=[{'Name':'Roof.Basecase_'}, {'Name':'Roof.Regs_'}][int(_Roof)] Floor=[{'Name':'Floor.Basecase_'}, {'Name':'Floor.Regs_'}][int(_Ground_Floor)] Glazing=[{'Name':'Glazing.Basecase_'}, {'Name':'Glazing.Regs_'}, {'Name':'Glazing.Pilot_'}][int(_Glazing)] Rooflights=[{'Name':'Rooflights.Basecase_'}, {'Name':'Rooflights.Regs_'}, {'Name':'Rooflights.Pilot_'}][int(_Rooflights)] AirTightness=[{'Name':'AirTightness.Basecase'}, {'Name':'Airtightness.Regs'}, {'Name':'Airtightness.Pilot'}][int(_Airtightness)] Name=Name+"_"+Wall['Name']+Roof['Name']+Floor['Name']+Glazing['Name']+Rooflights['Name']+AirTightness['Name'] #print(Name) return(Name) def Results_Hourly(Results_Dict,Name): t1=time.time() Results=[sql_Data(k,v) for k,v in zip(Results_Dict.values(),Results_Dict.keys())] DF=pd.DataFrame(Results,index=Results_Dict.keys()).T Index=pd.date_range(start='1/1/2021', periods=8760, freq='h') DF=DF.set_index(Index) Summed_Totals=DF#.sum() Summed_Totals['out:Name']=Name #Fresh air load pre processing Summed_Totals["out:FA Cooling Load"]=DF["out:Mech Vent Load"].agg([pos])['pos'] Summed_Totals["out:FA Heating Load"]=DF["out:Mech Vent Load"].agg([neg])['neg'] Summed_Totals["out:FA Total Load"]=(-1*Summed_Totals["out:FA Heating Load"])+Summed_Totals["out:FA Cooling Load"] #Infiltration load pre processing Summed_Totals["out:INF Cooling Load"]=DF['out: Infiltration Load'].agg([pos])['pos'] Summed_Totals["out:INF Heating Load"]=DF['out: Infiltration Load'].agg([neg])['neg'] Summed_Totals["out:INF Total Load"]=(-1*Summed_Totals["out:INF Heating Load"])+Summed_Totals["out:INF Cooling Load"] print(Summed_Totals) #Summed_Totals["out:FA Cooling Load"]=Temp["out:FA Cooling Load"] #Summed_Totals["out:FA Heating Load"]=Temp["out:FA Heating Load"] ict=Summed_Totals.to_dict() t2=time.time() print(("It takes %s seconds to extract "+Name) % (t2 - t1)) return(Summed_Totals) print(("It takes %s seconds to upload "+Reality_Name) % (t2 - t1)) #Please provide a filepath to the diretory file , which should contain the names and file paths of the sql results directory_fp=r'C:\\Users\\JTHOM\\OneDrive - Ramboll\\Documents\\Dump\\Sql\\ST_James\\Directory.xlsx' DF=pd.read_excel(directory_fp) Names=DF['Name'] File_Paths=DF['File_Path'] #Please eneter a filepath for the location of the data output from the SQL files FP=r'C:\\Users\\JTHOM\\OneDrive - Ramboll\\Documents\\Dump\\Sql\\ST_James\\data.xlsx' #FP=r'C:\\Users\\JTHOM\\OneDrive - Ramboll\\Documents\\Dump\\Sql\\Plaza\\data.xlsx' #print([Name_in) for (Name_in) in zip(DF['Name'],DF['File_Path'])]) Batch_Download=pd.DataFrame([Results_PP(get_SQL(_sql),extract_name(Name_in)) for (Name_in,_sql) in zip(DF['Name'],DF['File_Path'])]) Batch_Download.to_excel(FP) #_sql_FP=r'C:\\Users\\JTHOM\\OneDrive - Ramboll\\Documents\\Dump\\Sql\\Plaza\\Plaza_000000\\116a9b0d\\outputs\\sql\\eplusout.sql' """ _sql_FP=r'C:\Users\JTHOM\OneDrive - Ramboll\Documents\Dump\Sql\Plaza\Plaza_000000\6d837694\outputs\sql\eplusout.sql"' Annual=Results_Hourly(get_SQL(_sql_FP),'Results 2') Annual.to_excel(FP) """ #fi1, ax1 = plt.subplots() #DF.plot(ax=ax1) #fi2, ax2 = plt.subplots() #Summed_Totals.plot.bar(ax=ax2) #plt.show()
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FUNCTION GATAN2 (ARG1, ARG2) C C ARC TANGENT ARG1/ARG2 C REAL*8 DATAN2,ARG1,ARG2 C GATAN2 = DATAN2 (ARG1,ARG2) RETURN END
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using CodecXz using TranscodingStreams using Test @testset "Xz Codec" begin codec = XzCompressor() @test codec isa XzCompressor @test occursin(r"^(CodecXz\.)?XzCompressor\(level=\d, check=\d+\)$", sprint(show, codec)) @test CodecXz.initialize(codec) === nothing @test CodecXz.finalize(codec) === nothing codec = XzDecompressor() @test codec isa XzDecompressor @test occursin(r"^(CodecXz\.)?XzDecompressor\(memlimit=\d+, flags=\d+\)$", sprint(show, codec)) @test CodecXz.initialize(codec) === nothing @test CodecXz.finalize(codec) === nothing # Generated by `lzma.compress(b"foo")` on CPython 3.5.2. data = Vector(b"\xfd7zXZ\x00\x00\x04\xe6\xd6\xb4F\x02\x00!\x01\x16\x00\x00\x00t/\xe5\xa3\x01\x00\x02foo\x00\x00X\x15\xa9{,\xe6,\x98\x00\x01\x1b\x03\x0b/\xb9\x10\x1f\xb6\xf3}\x01\x00\x00\x00\x00\x04YZ") @test read(XzDecompressorStream(IOBuffer(data))) == b"foo" @test read(XzDecompressorStream(IOBuffer(vcat(data, data)))) == b"foofoo" # corrupt data data[[1,3,5]] = b"bug" @test_throws ErrorException read(XzDecompressorStream(IOBuffer(data))) @test XzCompressorStream <: TranscodingStreams.TranscodingStream @test XzDecompressorStream <: TranscodingStreams.TranscodingStream TranscodingStreams.test_roundtrip_read(XzCompressorStream, XzDecompressorStream) TranscodingStreams.test_roundtrip_write(XzCompressorStream, XzDecompressorStream) TranscodingStreams.test_roundtrip_lines(XzCompressorStream, XzDecompressorStream) TranscodingStreams.test_roundtrip_transcode(XzCompressor, XzDecompressor) @test_throws ArgumentError XzCompressor(level=10) @test_throws ArgumentError XzDecompressor(memlimit=0) end
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import numpy as np import pandas as pd import datetime as dt from sklearn import preprocessing class DataUtil(object): # # This class contains data specific information. # It does the following: # - Read data from file # - Normalise it # - Split it into train, dev (validation) and test # - Create X and Y for each of the 3 sets (train, dev, test) according to the following: # Every sample (x, y) shall be created as follows: # - x --> window number of values # - y --> one value that is at horizon in the future i.e. that is horizon away past the last value of x # This way X and Y will have the following dimensions: # - X [number of samples, window, number of multivariate time series] # - Y [number of samples, number of multivariate time series] def __init__(self, hparams, normalise = 2): try: self.hparams = hparams # self.hparams.data_name, , #print("Start reading data") filename = './data/{}/{}{}'.format(self.hparams.data_name, self.hparams.data_name, '.csv') self.rawdata = pd.read_csv(filename, parse_dates=[0]) index_colname = self.rawdata.columns[0] series = {'all':[0,-1], 'load':[0,59], 'price':[59,90], 'wind':[90, 147], 'solar':[147, 183]} splits = self.datasplitter(self.hparams.powerset) if self.hparams.n_multiv == 183 or self.hparams.n_multiv == 321: self.rawdata.drop([index_colname], axis=1, inplace=True) self.rawdata = self.rawdata.to_numpy() if splits != 0: self.rawdata = self.rawdata[:,splits[0]:splits[1]] else: if splits != 0: if splits[0] != 0: self.rawdata = self.rawdata.iloc[:, np.r_[0,splits[0]+1:splits[1]+1]] else: self.rawdata = self.rawdata.iloc[:, splits[0]:splits[1]+1] if self.hparams.calendar == 'True' or self.hparams.calendar == 1 or self.hparams.n_multiv == 189 or self.hparams.n_multiv == 327: data = self.rawdata data['hour'] = data[index_colname].dt.hour data = self.encode(data, 'hour', 23) data['month'] = data[index_colname].dt.month data = self.encode(data, 'month', 12) data['day'] = data[index_colname].dt.day data = self.encode(data, 'day', 365) self.rawdata = data self.rawdata.drop([index_colname, 'hour', 'month', 'day'], axis=1, inplace=True) else: self.rawdata.drop([index_colname], axis=1, inplace=True) self.rawdata = self.rawdata.to_numpy() #print("End reading data") self.w = self.hparams.window self.h = self.hparams.horizon self.data = np.zeros(self.rawdata.shape) self.trainpart = self.hparams.split_train self.n, self.m = self.data.shape self.normalise = normalise self.normalise_data(normalise) self.split_data(self.hparams.split_train, self.hparams.split_validation, self.hparams.split_test) except IOError as err: # In case file is not found, all of the above attributes will not have been created # Hence, in order to check if this call was successful, you can call hasattr on this object # to check if it has attribute 'data' for example print(f"Error opening data file ... {err}") def normalise_data(self, normalise): #print(f"Normalise: {normalise}") if normalise == 0: # do not normalise self.data = self.rawdata if normalise == 1: # normalise each timeseries alone. This is the default mode self.scale = np.ones(self.m) for i in range(self.m): self.scale[i] = np.max(np.abs(self.rawdata[:int(self.trainpart * self.n), i])) self.data[:, i] = self.rawdata[:, i] / self.scale[i] if normalise == 2: # normalise timeseries using MinMaxScaler # MinMaxScaler RobustScaler Normalizer MaxAbsScaler StandardScaler self.scaler = preprocessing.MinMaxScaler() self.scale = self.scaler.fit(self.rawdata[:int(self.trainpart * self.n)]) self.data = self.scale.transform(self.rawdata) def split_data(self, train, valid, test): #print(f"Splitting data into training set ({train}), validation set ({valid}) and testing set ({1 - (train + valid)})") train_set = range(self.w + self.h - 1, int(train * self.n)) valid_set = range(int(train * self.n), int((train + valid) * self.n)) if test == 0.001: # the default value --> we use rest for testing test_set = range(int((train + valid) * self.n), self.n) else: # if test set vas defined we used the portion after validation to test test_set = range(int((train + valid) * self.n), int((train + valid + test) * self.n)) self.train = self.get_data(train_set) self.valid = self.get_data(valid_set) self.test = self.get_data(test_set) def get_data(self, rng): n = len(rng) X = np.zeros((n, self.w, self.m)) Y = np.zeros((n, 1, self.m)) for i in range(n): end = rng[i] - self.h + 1 start = end - self.w X[i,:,:] = self.data[start:end, :] Y[i,:,:] = self.data[rng[i],:] #print(f"Shape of data X: {X.shape}, Y: {Y.shape} ") return [X, Y] def encode(self, data, col, max_val): data[col + '_sin'] = np.sin(2 * np.pi * data[col]/max_val) data[col + '_cos'] = np.cos(2 * np.pi * data[col]/max_val) return data def datasplitter(self,i): switcher={ 'load':[0,59], 'price':[59,90], 'wind':[90,147], 'solar':[147,183], } return switcher.get(i,0) def __len__(self): if self.set_type == 'train': return self.sample_num_train elif self.set_type == 'validation': return self.sample_num_validation else: return self.sample_num_test def __getitem__(self, idx): sample = [self.samples[idx, :, :], self.labels[idx, :, :]] return sample
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# Import the usual libraries import numpy as np import matplotlib import matplotlib.pyplot as plt import coron_wg from tqdm.auto import trange, tqdm filt, mask, pupil = ('F335M', 'MASK335R', 'CIRCLYOT') import os # Update output directories coron_wg.fig_dir = coron_wg.base_dir + 'output_M335R/' coron_wg.contrast_maps_dir = coron_wg.base_dir + 'contrast_maps_M335R/' for path in [coron_wg.fig_dir, coron_wg.contrast_maps_dir]: if not os.path.isdir(path): os.makedirs(path) print(f'Creating: {path}') else: print(f'Path alreayd exists: {path}') # For Requirements WFE, cycle through jitters, tacq, and IEC scenarios imode = 2 for imode_jitt in trange(4, leave=False, desc='Jitter/TACQ'): for imode_iec in trange(3, leave=False, desc='IEC'): coron_wg.run_obs(filt, mask, pupil, imode=imode, imode_iec=imode_iec, imode_jitt=imode_jitt)
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""" This part of code is the DQN brain, which is a brain of the agent. All decisions are made in here. Using Tensorflow to build the neural network. View more on my tutorial page: https://morvanzhou.github.io/tutorials/ Using: Tensorflow: 1.0 gym: 0.7.3 """ import numpy as np import pandas as pd import tensorflow as tf import matplotlib.pyplot as plt import itertools # np.random.seed(1) # tf.set_random_seed(1) # Deep Q Network off-policy class DeepQNetwork: def __init__( self, n_actions=4, n_features=2, learning_rate=0.01, reward_decay=0.9, e_greedy=0.8, replace_target_iter=300, memory_size=500, batch_size=32, len_max = 1000, e_greedy_increment=None, output_graph=False, dueling = True ): self.no_fea = n_features self.n_actions = n_actions self.n_features = n_features self.lr = learning_rate self.gamma = reward_decay self.epsilon_max = e_greedy self.replace_target_iter = replace_target_iter self.memory_size = memory_size self.batch_size = batch_size self.epsilon_increment = e_greedy_increment self.epsilon = 0 if e_greedy_increment is not None else self.epsilon_max self.dueling = dueling self.len_max =len_max # total learning step self.learn_step_counter = 0 # initialize zero memory [s, a, r, s_] # n_features =2, devotes start and end. add 1, is the length. self.memory = np.zeros((self.memory_size, (n_features+1) * 2 + 2 + self.len_max)) # 128 is the length of indices # consist of [target_net, evaluate_net] self._build_net() t_params = tf.get_collection('target_net_params') e_params = tf.get_collection('eval_net_params') self.replace_target_op = [tf.assign(t, e) for t, e in zip(t_params, e_params)] config = tf.ConfigProto() config.gpu_options.allow_growth = True self.sess = tf.Session(config=config) if output_graph: # $ tensorboard --logdir=logs # tf.train.SummaryWriter soon be deprecated, use following tf.summary.FileWriter("logs/", self.sess.graph) self.sess.run(tf.global_variables_initializer()) self.cost_his = [] # cost history # Two nets have the same structure but different parameters. # One with parameters eval_net_params, another with target_net_params. def _build_net(self): def build_layers(s, c_names, n_l1, w_initializer, b_initializer): with tf.variable_scope('l1'): w1 = tf.get_variable('w1', [self.n_features, n_l1], initializer=w_initializer, collections=c_names) b1 = tf.get_variable('b1', [1, n_l1], initializer=b_initializer, collections=c_names) l1 = tf.nn.relu(tf.matmul(s, w1) + b1) if self.dueling: # Dueling DQN with tf.variable_scope('Value'): w2 = tf.get_variable('w2', [n_l1, 1], initializer=w_initializer, collections=c_names) b2 = tf.get_variable('b2', [1, 1], initializer=b_initializer, collections=c_names) self.V = tf.matmul(l1, w2) + b2 with tf.variable_scope('Advantage'): w2 = tf.get_variable('w2', [n_l1, self.n_actions], initializer=w_initializer, collections=c_names) b2 = tf.get_variable('b2', [1, self.n_actions], initializer=b_initializer, collections=c_names) self.A = tf.matmul(l1, w2) + b2 with tf.variable_scope('Q'): out = self.V + (self.A - tf.reduce_mean(self.A, axis=1, keep_dims=True)) # Q = V(s) + A(s,a) else: with tf.variable_scope('Q'): w2 = tf.get_variable('w2', [n_l1, self.n_actions], initializer=w_initializer, collections=c_names) b2 = tf.get_variable('b2', [1, self.n_actions], initializer=b_initializer, collections=c_names) out = tf.matmul(l1, w2) + b2 return out # ------------------ build evaluate_net ------------------ self.s = tf.placeholder(tf.float32, [None, self.no_fea], name='s') # input self.q_target = tf.placeholder(tf.float32, [None, self.n_actions], name='Q_target') # for calculating loss # self.inputarray = tf.Variable(tf.constant(0, shape=[None, self.no_fea]), dtype=tf.float32) # self.inputarray = self.make_input_row(self.s) with tf.variable_scope('eval_net'): # c_names(collections_names) are the collections to store variables c_names, n_l1, w_initializer, b_initializer = \ ['eval_net_params', tf.GraphKeys.GLOBAL_VARIABLES], 32, \ tf.random_normal_initializer(0., 0.3), tf.constant_initializer(0.1) # config of layers, 0 is mean, 0.3 is stddev # first layer. collections is used later when assign to target net with tf.variable_scope('l1'): w1 = tf.get_variable('w1', [self.no_fea, n_l1], initializer=w_initializer, collections=c_names) b1 = tf.get_variable('b1', [1, n_l1], initializer=b_initializer, collections=c_names) l1 = tf.nn.relu(tf.matmul(self.s, w1) + b1) # second layer. collections is used later when assign to target net with tf.variable_scope('l2'): w2 = tf.get_variable('w2', [n_l1, self.n_actions], initializer=w_initializer, collections=c_names) b2 = tf.get_variable('b2', [1, self.n_actions], initializer=b_initializer, collections=c_names) self.q_eval = tf.matmul(l1, w2) + b2 with tf.variable_scope('loss'): # loss = [(q_target-q_eval)^2]/n where n = len(q_target) self.loss = tf.reduce_mean(tf.squared_difference(self.q_target, self.q_eval)) with tf.variable_scope('train'): self._train_op = tf.train.RMSPropOptimizer(self.lr).minimize(self.loss) # ------------------ build target_net ------------------ self.s_ = tf.placeholder(tf.float32, [None, self.n_features], name='s_') # input, s_ denotes s' or s_{t+1} # self.inputarray_ = self.make_input_row(self.s_) with tf.variable_scope('target_net'): # c_names(collections_names) are the collections to store variables c_names = ['target_net_params', tf.GraphKeys.GLOBAL_VARIABLES] # first layer. collections is used later when assign to target net with tf.variable_scope('l1'): w1 = tf.get_variable('w1', [self.no_fea, n_l1], initializer=w_initializer, collections=c_names) b1 = tf.get_variable('b1', [1, n_l1], initializer=b_initializer, collections=c_names) l1 = tf.nn.relu(tf.matmul(self.s_, w1) + b1) # second layer. collections is used later when assign to target net with tf.variable_scope('l2'): w2 = tf.get_variable('w2', [n_l1, self.n_actions], initializer=w_initializer, collections=c_names) b2 = tf.get_variable('b2', [1, self.n_actions], initializer=b_initializer, collections=c_names) self.q_next = tf.matmul(l1, w2) + b2 def store_transition(self, s, a, r, indices, s_,): if not hasattr(self, 'memory_counter'): self.memory_counter = 0 # change the tuple s to narray s s = np.asarray([x for xs in s for x in xs]) s_ = np.array([x for xs in s_ for x in xs]) # print 's, [a, r], s_', s, [a, r], s_ transition = np.hstack((s, [a, r], indices, s_)) # replace the old memory with new memory index = self.memory_counter % self.memory_size self.memory[index, :] = transition self.memory_counter += 1 def make_input_row(self, state): input_array = np.zeros(self.no_fea) print 'sssss',state state = state[0] print state # state[0][0] is the start point in the state, state[0][-1] is the end point, make the attention bar as 1. input_array[state[0]:state[-1]+1] = 1 input_array = input_array[np.newaxis, :] return input_array def choose_action(self, state): # to have batch dimension when feed into tf placeholder short_state = np.zeros(1, dtype=[('start', np.float32), ('end', np.float32)]) short_state['start'] = state['start'] short_state['end'] = state['end'] short_state = np.asarray([x for xs in short_state for x in xs]) short_state = short_state[np.newaxis, :] # print state, state.shape, # make the intial input_array # input_array = self.make_input_row(state) if np.random.uniform() < self.epsilon: # forward feed the state and get q value for every actions actions_value = self.sess.run(self.q_eval, feed_dict={self.s: short_state}) action = np.argmax(actions_value) else: action = np.random.randint(0, self.n_actions) return action def learn(self): # check to replace target parameters if self.learn_step_counter % self.replace_target_iter == 0: self.sess.run(self.replace_target_op) print('\ntarget_params_replaced\n') # sample batch memory from all memory if self.memory_counter > self.memory_size: sample_index = np.random.choice(self.memory_size, size=self.batch_size) else: sample_index = np.random.choice(self.memory_counter, size=self.batch_size) batch_memory = self.memory[sample_index, :] q_next, q_eval = self.sess.run( [self.q_next, self.q_eval], feed_dict={ self.s_: batch_memory[:, -self.n_features:], # fixed params self.s: batch_memory[:, :self.n_features], # newest params }) # change q_target w.r.t q_eval's action q_target = q_eval.copy() batch_index = np.arange(self.batch_size, dtype=np.int32) eval_act_index = batch_memory[:, self.n_features].astype(int) reward = batch_memory[:, self.n_features + 1] q_target[batch_index, eval_act_index] = reward + self.gamma * np.max(q_next, axis=1) # q_next is q_target """ For example in this batch I have 2 samples and 3 actions: q_eval = [[1, 2, 3], [4, 5, 6]] q_target = q_eval = [[1, 2, 3], [4, 5, 6]] Then change q_target with the real q_target value w.r.t the q_eval's action. For example in: sample 0, I took action 0, and the max q_target value is -1; sample 1, I took action 2, and the max q_target value is -2: q_target = [[-1, 2, 3], [4, 5, -2]] So the (q_target - q_eval) becomes: [[(-1)-(1), 0, 0], [0, 0, (-2)-(6)]] We then backpropagate this error w.r.t the corresponding action to network, leave other action as error=0 cause we didn't choose it. """ # train eval network _, self.cost = self.sess.run([self._train_op, self.loss], feed_dict={self.s: batch_memory[:, :self.n_features], self.q_target: q_target}) self.cost_his.append(self.cost) # increasing epsilon. if epsilon_increment != None, the epsilon will gradually increase, the increment = epsilon_increment self.epsilon = self.epsilon + self.epsilon_increment if self.epsilon < self.epsilon_max else self.epsilon_max self.learn_step_counter += 1 def plot_cost(self): plt.plot(np.arange(len(self.cost_his)), self.cost_his) plt.ylabel('Cost') plt.xlabel('training steps') plt.show()
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# -*- coding: utf-8 -*- """ ------------------------------------------------------------------------------- Authors: Parshan Pakiman | https://parshanpakiman.github.io/ Selva Nadarajah | https://selvan.people.uic.edu/ Licensing Information: The MIT License ------------------------------------------------------------------------------- """ from scipy.stats import sem,t import numpy as np import pandas as pd import os from datetime import datetime from shutil import copyfile from itertools import chain, combinations def index_unique_sub_list(input_list): #-------------------------------------------------------------------------- # Returns the location of locations in a list with unique values #-------------------------------------------------------------------------- _, indices = np.unique(np.asarray(input_list), return_index=True,axis=0) return indices def mean_confidence_interval(data, confidence=0.95): #-------------------------------------------------------------------------- # Computes confidence interval around mean #-------------------------------------------------------------------------- a = 1.0 * np.array(data) n = len(a) m, se = np.mean(a), sem(a) h = se * t.ppf((1 + confidence) / 2., n-1) return m, m-h, m+h,se def make_text_bold(string): #-------------------------------------------------------------------------- # Makes a text bold in terminal #-------------------------------------------------------------------------- return '{}{}{}'.format('\033[1m', string, '\033[0m') class output_handler: #-------------------------------------------------------------------------- # Collects and stores outputs of an algorithm. #-------------------------------------------------------------------------- def __init__(self,instance_conf): #---------------------------------------------------------------------- # Inititalization #---------------------------------------------------------------------- self.mdp_name = instance_conf['mdp_conf']['mdp_name'] self.basis_func_type = instance_conf['basis_func_conf']['basis_func_type'] self.batch_size = instance_conf['basis_func_conf']['batch_size'] self.instance_number = instance_conf['mdp_conf']['instance_number'] self.state_relevance_inner_itr = instance_conf['greedy_pol_conf']['state_relevance_inner_itr'] self.output_table = pd.DataFrame() self.path = None self.filename = None self.lb_filename = '/LowerBound_' + self.mdp_name +'.csv' self.setup_output_path() def setup_output_path(self): #---------------------------------------------------------------------- # Set the path to store outputs #---------------------------------------------------------------------- self.path = 'Output/' + self.mdp_name assert os.path.isdir(self.path) if not os.path.isdir(self.path + '/instance_'+self.instance_number): os.mkdir(self.path + '/instance_'+self.instance_number) self.path = self.path + '/instance_'+self.instance_number copyfile('MDP/'+ self.mdp_name+ '/Instances/instance_'+self.instance_number+'.py', self.path + '/instance_'+self.instance_number+'.py') def save_lower_bound(self,lower_bound_list): #---------------------------------------------------------------------- # Save lower bound into a file #---------------------------------------------------------------------- pd.DataFrame(lower_bound_list,columns=['# bases','# constrs','FALP Obj','ALP ConT', 'ALP SlvT','lb_mean', 'lb_lb','lb_ub', 'lb_se','LB RT','best_lower_bound','TOT RT']).to_csv(self.path + self.lb_filename) def load_lower_bound(self): #---------------------------------------------------------------------- # Load lower bound from a file #---------------------------------------------------------------------- df = pd.read_csv(self.path + self.lb_filename) df = df[['lb_mean', 'lb_lb','lb_ub', 'lb_se','best_lower_bound']] return np.asarray(df.iloc[[-1]]).flatten() def append_to_outputs( self, algorithm_name: str, # FALP, FGLP state_relevance_name: str, # uniform, (5,5,5), greedy_policy basis_seed: int, # seed number for basis function num_basis_func: int, # 10, 20, ... num_constr: int, # num of constraints in ALP FALP_obj: float, # value of ALP objective ALP_con_runtime: float, # time to construct ALP to get VFA ALP_slv_runtime: float, # time tosolve ALP to get VFA best_lower_bound: float, # best lower bound on the optimal cost until the current iteration lower_bound_lb: float, # 95% lower bound on the optimal cost lower bound lower_bound_mean: float, # mean lower bound on the optimal cost lower_bound_se: float, # standard error of the lower bound on the optimal cost lower_bound_ub: float, # 95% upper bound on the optimal cost lower bound lower_bound_runtime: float, # runtime of computing lower bound on the optimla cost best_policy_cost: float, # best upper bound (policy cost) on the optimal cost until the current iteration policy_cost_lb: float, # 95% lower bound on the greedy policy cost policy_cost_mean: float, # mean of the greedy policy cost policy_cost_se: float, # standard error of greedy policy cost policy_cost_ub: float, # 95% upper bound on the greedy policy cost policy_cost_runtime: float, # runtime of computing greedy policy cost total_runtime: float, # total runtime SGFALP_obj: float = None, SG_runtime: float = None, ): #---------------------------------------------------------------------- # Having algorithm's results up to the current iteration, append # new results to it. #---------------------------------------------------------------------- self.filename = '/' + self.mdp_name + '_' + self.basis_func_type + '_' + algorithm_name + '_' +\ state_relevance_name+'_inner_update_'+str(self.state_relevance_inner_itr)+\ '_Batch_'+str(self.batch_size)+ '_seed_' + str(basis_seed) +'.csv' SGFALP_ = None if SGFALP_obj is None else[round(SGFALP_obj,1)] SG_runtime_ = None if SG_runtime is None else[round(SG_runtime,4)] if not policy_cost_mean in [0.0,float('inf')]: opt_gap_ = 100*(policy_cost_mean - lower_bound_mean)/policy_cost_mean else: opt_gap_ = float('inf') info =\ { 'update time' : datetime.now().strftime("%d-%m-%Y - %H : %M"), 'mdp' : [self.mdp_name], 'algorithm' : [algorithm_name], 'basis_func_seed' : [basis_seed], 'state relevance' : [state_relevance_name], '# bases' : [num_basis_func], '# constrs' : [num_constr], 'FALP obj' : [round(FALP_obj,1)], 'SGFALP' : SGFALP_, 'ALP Constr time' : [round(ALP_con_runtime,4)], 'ALP Solve time' : [round(ALP_slv_runtime,4)], 'SG time' : SG_runtime_, 'best_lower_bound' : [round(best_lower_bound,1)], 'lower bound lb' : [round(lower_bound_lb,1)], 'lower bound mean' : [round(lower_bound_mean,1)], 'lower bound se' : [round(lower_bound_se,2)], 'lower bound ub' : [round(lower_bound_ub,1)], 'lower bound runtime' : [round(lower_bound_runtime,4)], 'best_policy_cost' : [round(best_policy_cost,1)], 'policy cost lb' : [round(policy_cost_lb,1)], 'policy cost mean' : [round(policy_cost_mean,1)], 'policy cost se' : [round(policy_cost_se,2)], 'policy cost ub' : [round(policy_cost_ub,1)], 'policy cost runtime' : [round(policy_cost_runtime,4)], 'tot runtime' : [round(total_runtime,4)], 'opt gap' : [round(opt_gap_,1)], 'lower bound fluctuation' : [round(100*(lower_bound_mean - best_lower_bound)/best_lower_bound,1)], 'policy cost fluctuation' : [round(100*(best_policy_cost - policy_cost_mean)/best_policy_cost,1)], } self.output_table = self.output_table.append(pd.DataFrame(info),ignore_index = True) self.output_table.to_csv(self.path + self.filename) def is_PIC_config_valid(config): #-------------------------------------------------------------------------- # Add assertion if you need to check an instance of the PIC application # is "valid". This function is called inside each instance. #-------------------------------------------------------------------------- pass def prune_similar_columns(matrix,threshold): #-------------------------------------------------------------------------- # Prune similar columns of a matrix; not used in the current code. #-------------------------------------------------------------------------- already_considered = [] similar_columns = [] for i in range(len(matrix.T)): column = matrix.T[i] if not i in already_considered: column = np.asarray([column]).T diff = column - matrix norm = np.max(np.abs(diff),axis=0) index = [_ for _ in range(len(norm)) if norm[_] < threshold] already_considered += index similar_columns.append((i,index)) keep = [similar_columns[_][0] for _ in range(len(similar_columns))] remove = [_ for _ in range(len(similar_columns)) if not _ in keep] return remove class output_handler_option_pricing: #-------------------------------------------------------------------------- # Collects and stores outputs of an algorithm. #-------------------------------------------------------------------------- def __init__(self,instance_conf): #---------------------------------------------------------------------- # Inititalization #---------------------------------------------------------------------- self.mdp_name = instance_conf['mdp_conf']['mdp_name'] self.state_relevance_type = instance_conf['mdp_conf']['state_relevance_type'] self.basis_func_type = instance_conf['basis_func_conf']['basis_func_type'] self.batch_size = instance_conf['basis_func_conf']['batch_size'] self.instance_number = instance_conf['mdp_conf']['instance_number'] self.output_table = pd.DataFrame() self.path = None self.filename = None self.setup_output_path() def setup_output_path(self): #---------------------------------------------------------------------- # Set the path to store outputs #---------------------------------------------------------------------- self.path = 'Output/' + self.mdp_name assert os.path.isdir(self.path) if not os.path.isdir(self.path + '/instance_'+self.instance_number): os.mkdir(self.path + '/instance_'+self.instance_number) self.path = self.path + '/instance_'+self.instance_number copyfile('MDP/'+ self.mdp_name+ '/Instances/instance_'+self.instance_number+'.py', self.path + '/instance_'+self.instance_number+'.py') def append_to_outputs( self, algorithm_name: str, # FALP, FGLP basis_seed: int, # seed number for basis function num_basis_func: int, # 10, 20, ... num_constr: int, # num of constraints in ALP FALP_obj: float, # value of ALP objective ALP_con_runtime: float, # time to construct ALP to get VFA ALP_slv_runtime: float, # time tosolve ALP to get VFA train_LB_mean: float, # lower bound on the training sample paths train_LB_SE: float, # lower bound on the training sample paths test_LB_mean: float, # lower bound on the training sample paths test_LB_SE: float, # lower bound on the training sample paths test_LB_runtime: float, # untime of computing greedy policy cost upp_bound = 0.0, upp_bound_sd = 0.0, best_upp_bound = 0.0, upp_bound_runtime = 0.0, train_opt_gap = 0.0, test_opt_gap = 0.0, total_runtime = 0.0, # total runtime ): #---------------------------------------------------------------------- # Having algorithm's results up to the current iteration, append # new results to it. #---------------------------------------------------------------------- self.filename = '/' + self.mdp_name + '_' + self.basis_func_type + '_' + algorithm_name + '_'+ self.state_relevance_type + '_batch_'+str(self.batch_size)+ '_seed_' + str(basis_seed) +'.csv' info ={ 'update time' : datetime.now().strftime("%d-%m-%Y - %H : %M"), 'mdp' : [self.mdp_name], 'algorithm' : [algorithm_name], 'basis_func_seed' : [basis_seed], '# bases' : [num_basis_func], '# constrs' : [num_constr], 'FALP obj' : [round(FALP_obj,1)], 'ALP Constr time' : [round(ALP_con_runtime,4)], 'ALP Solve time' : [round(ALP_slv_runtime,4)], 'Train pol cost mean' : [round(train_LB_mean,4)], 'Train pol cost SE' : [round(train_LB_SE,4)], 'Test pol cost mean' : [round(test_LB_mean,4)], 'Test pol cost SE' : [round(test_LB_SE,4)], 'Test pol runbtime' : [round(test_LB_runtime,1)], 'Upper Bound' : [round(upp_bound,4)], 'Upper Bound SD' : [round(upp_bound_sd,4)], 'Best Upper Bound' : [round(best_upp_bound,4)], 'Upper Bound runbtime' : [round(upp_bound_runtime,1)], 'Train Opt Gap' : [round(train_opt_gap,4)], 'Test Opt Gap' : [round(test_opt_gap,4)], 'tot runtime' : [round(total_runtime,4)], } self.output_table = self.output_table.append(pd.DataFrame(info),ignore_index = True) self.output_table.to_csv(self.path + self.filename)
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\chapter{Background} \ifpdf \graphicspath{{Chapter2/Figs/Raster/}{Chapter2/Figs/PDF/}{Chapter2/Figs/}} \else \graphicspath{{Chapter2/Figs/Vector/}{Chapter2/Figs/}} \fi The goal of this chapter is to provide only the necessary background in recurrent neural networks and generative probabilistic sequence modelling required for understanding our models, experiments, and results. It also introduces some common definitions and clarifies notation used throughout later chapters. A basic understanding of Western music theory and neural networks is assumed. Readers unfamiliar with concepts such as piano rolls, Roman numeral analysis, and cadences, should review \vref{sec:music-theory-primer} for a quick primer and \citet{piston1978harmony,denny1960oxford} for more thorough coverage. Likewise, those whom wish to review concepts such as activation functions, neurons, and applying recurrent neural networks over arbitrary length sequences are advised to review \vref{sec:primer-nn} and consult \citet{bengio2009learning} for further reference. \section{Recurrent neural networks}\label{sec:bg-rnn} Our use of the term \emph{recurrent neural network} (RNN) refers in particular to linear Elman-type RNNs \citep{elman1990finding} whose dynamics are described by \vref{eq:rnn-dynamics} (review \cref{sec:primer-nn} if this is unfamiliar). \subsection{Notation} \nomenclature[z-RNN]{RNN}{Recurrent Neural Network} \nomenclature[a-input]{$\x$}{layer inputs} \nomenclature[a-hidden-state]{$\h$}{hidden state (\ie memory cell contents)} \nomenclature[a-output]{$\y$}{layer outputs} \nomenclature[a-Wxh]{$\W$}{weight matrix} \nomenclature[a-Nin]{$N_{in}$}{dimensionality of inputs} \nomenclature[a-Nhid]{$N_{hid}$}{dimensionality of hidden state} \nomenclature[a-Nout]{$N_{out}$}{dimensionality of outputs} \nomenclature[a-T]{$T$}{total number of timesteps in a sequence} \nomenclature[g-sxh]{$\sigma$}{elementwise activation function} \nomenclature[g-th]{$\theta$}{model parameters} \nomenclature[r-l]{$(l)$}{layer index in multi-layer networks} \nomenclature[s-t]{$t$}{time index} \nomenclature[s-st]{$st$}{connections from source $s$ to target $t$} We begin by clarifying common notation and conventions used to describe RNNs. Unless otherwise specified, future use of notation should be interpreted as defined in this section. We use the subscript $t \in \{ 1,2,\cdots,T \}$ to denote the \emph{time index} within a sequence of length $T \in \NN$ A sequence of \emph{inputs} is denoted by $\x$ and the sequence elements at timestep $t$ is denoted by $\x_t \in \RR^{N_{in}}$ and assumed to have dimensionality $N_{in} \in \NN$. Similarly, $\h_t \in \RR^{N_{hid}}$ and $\y_t \in \RR^{N_{out}}$ denote elements from the \emph{hidden state} and \emph{output} sequences respectively. To describe model parameters, we use $\W$ to indicate a real-valued \emph{weight matrix} consisting of all the connection weights between two sets of neurons and $\sigma(\cdot)$ to indicate an elementwise \emph{activation function}. The collection of all model parameters is denoted by $\vec{\theta}$. When further clarity is required, we use subscripts $\W_{st}$ denote the connection weights from a set of neurons $s$ to another set of neurons $t$ (\ie in \vref{sec:LSTM}, $\W_{xf}$ and $\W_{xh}$ refer to the connections from the inputs to the forget gate and hidden state respectively). Subscripts on activation functions $\sigma_{s,t}(\cdot)$ are to be interpreted analogously. Equipped with the above notation, the equations for RNN time dynamics can be expressed as \begin{equation}\label{eq:rnn-dynamics} \left.\begin{aligned} \h_t &=& \W_{xh} \sigma_{xh} \left( \x_t \right) + \W_{hh} \sigma_{hh} \left( \h_{t-1} \right)\\ \y_t &=& \W_{hy} \sigma_{hy} \left( \h_t \right) \end{aligned} \right\} \qquad \text{RNN time dynamics} \end{equation} When discussing multi-layer networks, we use $L \in \NN$ to denote total number of layers and parenthesized superscripts $(l)$ for $l \in \{1,2,\cdots,L\}$ to indicate the layer. For example, $\z^{(2)}_t$ is the hidden states of the second layer and $N^{(3)}_{in}$ is the dimensionality of the third layer's inputs $\x^{(3)}_t$. Unless stated otherwise, multi-layer networks will assume that the outputs of the $l-1$st layer are used as the inputs of the $l$th layer (\ie $\forall t: \x^{(l)}_t = \y^{(l-1)}_t$). \subsection{The memory cell abstraction} While a large number of proposed RNN variants exist \citep{elman1990finding,jordan1997serial,hochreiter1997long,cho2014learning,Koutnik2014,Mikolov2015}, most share the same underlying structure and differ only in their implementation details of \cref{eq:rnn-dynamics}. Encapsulating these differences within an abstraction enables general discussion about RNN architecture without making a specific choice on implementation. To do so, we introduce the \emph{memory cell} abstraction to encapsulate the details of computing $\y_t$ and $\h_t$ from $\x_t$ and $\h_{t-1}$. This is illustrated visually in \cref{fig:rnn-elman}, which shows a standard Elman-type RNN \citep{elman1990finding} with the memory cell indicated by a dashed box isolating the recurrent hidden state. The edges entering the memory cell ($\x_t$, $\h_{t-1}$) are the \emph{memory cell inputs} and the outgoing edges ($\y_t$, $\h_t$) are the \emph{memory cell outputs}. In essence, the memory cell abstracts away differences across RNN variants in their implementation of \cref{eq:rnn-dynamics}. \begin{figure}[tb] \centering \input{Chapter2/Figs/nn-rnn-elman.pdf_tex} \caption{An Elman-type RNN with a single hidden layer. The recurrent hidden state is illustrated as unit-delayed (denoted by $z^{-1}$) feedback edges from the hidden states to the input layer. The memory cell encapsulating the hidden state is also shown.} \label{fig:rnn-elman} \end{figure} \subsection{Operations on RNNs: stacking and unrolling} \subsubsection{Stacking memory cells to form deep RNNs} Just like deep neural networks, RNNs can be \emph{stacked} to form deep RNNs \citep{el1995hierarchical,schmidhuber1992learning} by treating the outputs from the $l-1$st layer's memory cells as inputs to the $l$th layer (see \cref{fig:rnn-multi-unrolled}). \begin{figure}[tb] \centering \resizebox{4.5in}{!}{\input{Chapter2/Figs/rnn-multi-unrolled.pdf_tex}} \caption{Block diagram representation of a -layer RNN (left) and its corresponding DAG (right) after unrolling. The blocks labelled with $\h_t$ represent memory cells whose parameters are shared across all times $t$.} \label{fig:rnn-multi-unrolled} \end{figure} Prior work has observed that ``deep RNNs outperformed the conventional, shallow RNN'' \citet{pascanu2013construct}, affirming the importance of stacking multiple layers in RNNs. The improved modelling can be attributed to two primary factors: composition of multiple non-linear activation functions and an increase in the number of paths for backpropagated error signals to flow. The former reason is analogous to the case in deep belief networks, which is well documented \citep{bengio2009learning}. To understand the latter, notice that in \cref{fig:rnn-multi-unrolled} there is only a single path from $\x_{t-1}$ to $\y_{t}$ hence the conditional independence $\y_{t} \independent \x_{t-1} | \h^{(1)}_t$ is satisfied. However, in \cref{fig:rnn-multi-unrolled} there are multiple paths from $\x_{t-1}$ to $\y_{t}$ (\eg passing through either $\h^{(2)}_{t-1} \to \h^{(2)}_t$ or $\h^{(1)}_{t-1} \to \h^{(1)}_t$) through which information may flow. \subsubsection{Unrolling RNNs into directed acyclic graphs} \nomenclature[z-DAG]{DAG}{Directed Acyclic Graph} Given an input sequence $\{\x\}_{t=1}^T$, an RNN can be \emph{unrolled} into a \emph{directed acyclic graph} (DAG) comprised of $T$ copies of the memory cell connected forwards in time. This is illustrated for a stacked 2-layer RNN in \cref{fig:rnn-multi-unrolled}, where the vectors $\y_t$, $\h_t$, and $\x_t$ are depicted as blocks and the $\h_t$ is understood to represent a memory cell. % \begin{figure}[tb] % \centering % \resizebox{4.5in}{!}{\input{Chapter2/Figs/rnn-single-unrolled.pdf_tex}} % \caption{Signal flow diagram representation of a single-layer RNN (left) and its % corresponding DAG (right) after unrolling. The blocks labelled % with $\h_t$ represent memory cells whose parameters are shared across all times % $t$.} % \label{fig:rnn-single-unrolled} % \end{figure} \Cref{fig:rnn-multi-unrolled} shows that the hidden state $\h_t$ is passed forwards throughout the sequence of computations. This gives rise to an alternative interpretation of the hidden state as a temporal memory mechanism. Under this interpretation, updating the hidden state $\h_t$ can be viewed as \emph{writing} information from the current inputs $\x_t$ to memory and producing the outputs $\y_t$ can be interpreted as \emph{reading} information from memory. % Additionally, parameters need not be shared % across different layers so the stacked RNN can learn different time dynamics % for each layer. \subsection{Training RNNs and backpropagation through time} \nomenclature[z-BPTT]{BPTT}{Backpropagation Through Time} \nomenclature[o-E]{$\mathcal{E}$}{error or loss} \nomenclature[o-Et]{$\mathcal{E}_t$}{error or loss at time $t$} The parameters $\vec{\theta}$ of a RNN are typically learned from data by minimizing some \emph{cost} $\mathcal{E} = \sum_{1 \leq t \leq T} \mathcal{E}_t(\x_t)$ measuring the performance of the network on some task. This optimization is usually performed using iterative methods which require computation of gradients $\frac{\pd \mathcal{E}}{\pd \vec{\theta}}$ at each iteration. In feed-forward networks, computation of gradients can be performed efficiently using backpropagation \citep{bryson1963optimal,linnainmaa1970representation,rumelhart1988learning}. While time-delayed recurrent hidden state connections appear to complicate matters initially, unrolling the RNN removes the time-delayed recurrent edges and converts the RNN into a DAG (\eg \vref{fig:rnn-multi-unrolled}) which can be interpreted as a $T$ layered feed-forward neural network with parameters shared across all $T$ layers. This view of unrolled RNNs as feedforward networks motivates \emph{backpropagation through time} (BPTT) \citep{goller1996learning}, a method for training RNNs which applies backpropagation to the unrolled DAG. \begin{figure}[tb] \centering \input{Chapter2/Figs/rnn-bptt.pdf_tex} \caption{The gradients accumulated along network edges in BPTT.} \label{fig:rnn-bptt} \end{figure} \Cref{fig:rnn-bptt} shows how BPTT, just like regular backpropagation, divides the computation of a global gradient $\frac{\pd \mathcal{E}}{\pd \theta}$ into a series of local gradient computations, each of which involves significantly less variables and is hence cheaper to compute. However, whereas the depth of feedforward networks is fixed, the unrolled RNN's depth is equal to the input sequence length $T$ and may introduce problems when $T$ is very large. \subsubsection{Vanishing/exploding gradients} It is well known that naive implementations of memory cells often suffer from two problems also affecting very deep feedforward networks: the \emph{vanishing gradient} and \emph{exploding gradient} \citep{Bengio1994}. To illustrate the problem, express the computation represented by \cref{fig:rnn-bptt} mathematically by applying the chain rule to the RNN dynamics equation (\vref{eq:rnn-dynamics}): \begin{align} \frac{\pd \mathcal{E}}{\pd \vec{\theta}} &= \sum_{1 \leq t \leq T} \frac{\pd \mathcal{E}_t}{\pd \vec{\theta}} \label{eq:err-total}\\ \frac{\pd \mathcal{E}_t}{\pd \vec{\theta}} &= \sum_{1 \leq k \leq t} \left( \frac{\pd \mathcal{E}_t}{\pd \y_t} \frac{\pd \y_t}{\pd \h_t} \frac{\pd \h_t}{\pd \h_k} \frac{\pd \h_k}{\pd \vec{\theta}} \right) \label{eq:error-t}\\ \frac{\pd \h_t}{\pd \h_k} &= \prod_{t \geq i > k} \frac{\pd \h_i}{\pd \h_{i-1}} = \prod_{t \geq i > k} \W_{hh}^\tp \diag \left( \sigma_{hh}'( \h_{i-1} ) \right) \label{eq:error-transfer} \end{align} \Cref{eq:error-t} expresses how the error $\mathcal{E}_t$ at time $t$ is a sum of \emph{temporal contributions} $ \frac{\pd \mathcal{E}_t}{\pd \y_t} \frac{\pd \y_t}{\pd \h_t} \frac{\pd \h_t}{\pd \h_k} \frac{\pd \h_k}{\pd \vec{\theta}}$ measuring how $\vec{\theta}$'s impact on $\h_k$ affects the cost $\mathcal{E}_t$ at some future time $t > k$. The quantity $\frac{\pd \h_t}{\pd \h_k}$ in \cref{eq:error-transfer} measures the affect of the hidden state $\h_k$ on some future state $\h_t$ where $t > k$ and can be interpreted as transferring the error ``in time'' from step $t$ back to step $k$ \citep{Pascanu2012}. Both vanishing and exploding gradients are due to the product in \cref{eq:error-transfer} exponentially growing or shrinking over long time-spans (\ie $t \gg k$), preventing error signals to be transferred across long time-spans and learning of long-term dependencies. In \vref{sec:vanishing-exploding-gradients} we prove that a sufficient condition for vanishing gradients is: \begin{equation}\label{eq:vanishing-gradients-suff} \left\| \W_{hh} \right\| < \frac{1}{\gamma_\sigma} \end{equation} where $\| \cdot \|$ is the matrix operator norm (see \vref{eq:operator-norm}), $\W_{hh}$ is as defined in \vref{eq:rnn-dynamics}, and $\gamma_\sigma$ is a constant depending on the choice of activation function (\eg $\gamma_\sigma = 1$ for $\sigma_{hh} = \tanh$, $\gamma_\sigma = 0.25$ for $\sigma_{hh} = \sigmoid$). This difficulty learning relationships between events spaced far apart in time presents a significant challenge for music applications. As noted by \citet{cooper1963rhythmic}: \begin{quote} Long-term dependencies are at the heart of what defines a style of music, with events spanning several notes or bars contributing to the formation of metrical and phrasal structure. \end{quote} \subsection{Long short term memory: solving the vanishing gradient}\label{sec:LSTM} \nomenclature[z-LSTM]{LSTM}{Long Short Term Memory} \nomenclature[z-CEC]{CEC}{Constant Error Carousel} \nomenclature[a-input-gate]{$\i_t$}{input gate values at time $t$} \nomenclature[a-forget-gate]{$\f_t$}{forget gate values at time $t$} \nomenclature[a-output-gate]{$\o_t$}{output gate values at time $t$} \nomenclature[x-odot]{$\odot$}{elementwise multiplication} In order to build a model which learns long range dependencies, vanishing gradients must be avoided. A popular memory cell architecture which does so is \emph{long short term memory} (LSTM). Proposed by \citet{hochreiter1997long}, LSTM solves the vanishing gradient problem by enforcing \emph{constant error flow} on \cref{eq:error-transfer}, that is \begin{equation}\label{eq:const-err-flow} \forall t, \forall \h_t: \W_{hh}^\tp \sigma_{hh}' (\h_{t}) = \matr{I} \end{equation} where $\matr{I}$ is the identity matrix. As a consequence of constant error flow, \vref{eq:error-transfer} becomes \begin{equation} \frac{\pd \h_t}{\pd \h_k} = \prod_{t \geq i > k} \W_{hh}^\tp \diag \left( \sigma_{hh}'( \h_{i-1} ) \right) = \prod_{t \geq i > k} \matr{I} = \matr{I} \end{equation} The dependence on the time-interval $t-k$ is no longer present, ameliorating the exponential decay causing vanishing gradients and enabling long-range dependencies (\ie $t \gg k$) to be learned. Integrating \cref{eq:const-err-flow} with respect to $\h_t$ yields $\W_{hh} \sigma_{hh}(\h_{t}) = \h_{t}$. Since this must hold for any hidden state $\h_{t}$, this means that: \begin{enumerate} \item $\W_{hh}$ must be full rank \item $\sigma_{hh}$ must be linear \item $\W_{hh} \sigma_{hh} = \matr{I}$ \end{enumerate} In the \emph{constant error carousel} (CEC), this is ensured by setting $\sigma_{hh} = \W_{hh} = \I$. This may be interpreted as removing time dynamics on $\h$ in order to permit error signals to be transferred backwards in time (\cref{eq:error-transfer}) without modification (\ie $\forall t \geq k: \frac{\pd \h_t}{\pd \h_k} = \I$). In addition to using a CEC, a LSTM introduces three gates controlling access to the CEC: \begin{description} \item[Input gate]: scales input $\x_t$ elementwise by $\i_t \in [0,1]$, \emph{writes} to $\h_t$ \item[Output gate]: scales output $\y_t$ elementwise by $\o_t \in [0,1]$, \emph{reads} from $\h_t$ \item[Forget gate]: scales previous cell value $\h_{t-1}$ by $\f_t \in [0,1]$, \emph{resets} $\h_t$ \end{description} Mathematically, the LSTM model is defined by the following set of equations: \begin{align} \i_t &= \sigmoid(\W_{xi} \x_t + \W_{yi} \y_{t-1} + \b_i) \\ \o_t &= \sigmoid(\W_{xo} \x_t + \W_{yo} \y_{t-1} + \b_o) \\ \f_t &= \sigmoid(\W_{xf} \x_t + \W_{yf} \y_{t-1} + \b_f) \\ \h_t &= \f_t \odot \h_{t-1} + \i_t \odot \tanh(\W_{xh}\x_t + y_{t-1} \W_{yh} + \b_h) \\ \y_t &= \o_t \odot \tanh(\h_t) \end{align} where $\odot$ denotes elementwise multiplication of vectors. Notice that the gates ($\i_t$, $\o_t$, and $\f_t$) controlling flow in and out of the CEC are time dependent. This permits interpreting the gates as a mechanism enabling LSTM to learn which error signals to trap in the CEC and when to release them \citep{hochreiter1997long}, allowing error signals to potentially be transported across long time lags. \begin{figure}[tb] \centering \input{Chapter2/Figs/lstm-unit-2.pdf_tex} \caption{Schematic for a single LSTM memory cell. Notice how the gates $\i_t$, $\o_t$, and $\f_t$ control access to the constant error carousel (CEC).} \label{fig:lstm-cell} \end{figure} Some authors define LSTM such that $\h_t$ is not used to compute gate activations, referring to \cref{fig:lstm-cell} as LSTM with ``peephole connections'' \citep{gers2000recurrent}. We will use LSTM to refer to the model as described above. \subsubsection{Practicalities for successful applications of LSTM} Many successful applications of LSTM \citep{devlin2014fast,zaremba2015empirical,pascanu2013construct} employ some common practical techniques. Perhaps most important is \emph{gradient norm clipping} \citep{Mikolov2012,Pascanu2012} where the gradient is scaled or clipped whenever it exceeds a threshold. This is necessary because while vanishing gradients are mitigated by CECs, LSTM do not explicitly protect against exploding gradients. Another common practice is the use of methods for reducing overfitting and improving generalization. In particular, \emph{dropout} \citep{hinton2012improving} is commonly applied between stacked memory cell layers to regularize the learned features and prevent co-adaptation \citep{zaremba2014recurrent}. Additionally, \emph{batch normalization} \citep{ioffe2015batch} of memory cell hidden states is also commonly done to reduce co-variate shifts, accelerate training, and improve generalization. Finally, applications of RNNs to long sequences can incur a prohibitively high cost for a single parameter update \citep{citeulike:13881859}. For instance, computing the gradient of an RNN on a sequence of length $1000$ costs the equivalent of a forward and backward pass on a $1000$ layer feed-forward network. This issue is typically addressed by only back-propagating error signals a fixed number of timesteps back in the unrolled network, a technique known as \emph{truncated BPTT} \citep{williams1990efficient}. As the hidden states in the unrolled network have already been exposed to many previous timesteps, learning of long range structure is still possible with truncated BPTT.
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# From stockcharts.com: # # Interpretation # # The Aroon indicators fluctuate above/below a centerline (50) and # are bound between 0 and 100. These three levels are important for # interpretation. At its most basic, the bulls have the edge when # Aroon-Up is above 50 and Aroon-Down is below 50. This indicates a # greater propensity for new x-day highs than lows. The converse is # true for a downtrend. The bears have the edge when Aroon-Up is # below 50 and Aroon-Down is above 50. # # A surge to 100 indicates that a trend may be emerging. This can # be confirmed with a decline in the other Aroon indicator. For # example, a move to 100 in Aroon-Up combined with a decline below # 30 in Aroon-Down shows upside strength. Consistently high readings # mean prices are regularly hitting new highs or new lows for the # specified period. Prices are moving consistently higher when Aroon-Up # remains in the 70-100 range for an extended period. Conversely, # consistently low readings indicate that prices are seldom hitting new # highs or lows. Prices are NOT moving lower when Aroon-Down remains in # the 0-30 range for an extended period. This does not mean prices are # moving higher though. For that we need to check Aroon-Up. # # New Trend Emerging # # There are three stages to an emerging trend signal. First, the Aroon # lines will cross. Second, the Aroon lines will cross above/below 50. # Third, one of the Aroon lines will reach 100. For example, the first # stage of an uptrend signal is when Aroon-Up moves above Aroon-Down. This # shows new highs becoming more recent than new lows. Keep in mind that # Aroon measures the time elapsed, not the price. The second stage is when # Aroon-Up moves above 50 and Aroon-Down moves below 50. The third stage is # when Aroon-Up reaches 100 and Aroon-Down remains at relatively low levels. # The first and second stages do not always occur in that order. Sometimes # Aroon-Up will break above 50 and then above Aroon-Down. Reverse engineering # the uptrend stages will give you the emerging downtrend signal. Aroon-Down # breaks above Aroon-Up, breaks above 50 and reaches 100. from ..indicators import Indicator, SignalStrengthTypes, SignalTypes from tradingtools.utils.equitydata import PastQuoteDataKeys from numpy import max, min, subtract from datetime import datetime WINDOW_SIZE = 20 NUM_PERIODS = 5 class Aroon(Indicator): def __init__(self, num_periods=NUM_PERIODS, window_size=WINDOW_SIZE): super(Aroon, self).__init__() self._num_periods = num_periods self._window_size = window_size _title = 'Aroon' _description_url = 'http://www.investopedia.com/terms/a/aroon.asp' def window(self, window_size=None): if window_size is not None: if window_size > 0: self._window_size = window_size else: return self._window_size def calculate(self, high_data, low_data): """ Calculates the Aroon for historic data :param historic_data: List of floats representing past data (price, volume, etc) :return: List of floats representing the averages """ if len(high_data) != len(low_data): raise ValueException('Aroon error: high and low data have different lengths') if len(high_data) < self._window_size: print 'Aroon requires data for at least one window' return [] aroon_up = [] aroon_down = [] for n in range(len(high_data) - self._window_size): high_segment = high_data[n:n+self._window_size + 1] low_segment = low_data[n:n+self._window_size + 1] max_index = high_segment.index(max(high_segment)) min_index = low_segment.index(min(low_segment)) aroon_up.append(100.0 * max_index / self._window_size) aroon_down.append(100.0 * min_index / self._window_size) return aroon_up, aroon_down def calculate_for_symbol(self, symbol, end_date=datetime.today()): """ Calculates Aroon for a given symbol :param symbol: String Stock symbol for which to calculare SMA :param end_date: Date most recent date over which to calculate :param key: String key in historic data for which to calculate sma :return: Tuple consisting of 2 lists (aroon_up, aroon_down) """ data = self._data_for_symbol(symbol, self._num_periods + self._window_size, end_date, key=None) high_data = [x[PastQuoteDataKeys.ADJ_HIGH] for x in data] low_data = [x[PastQuoteDataKeys.ADJ_LOW] for x in data] return self.calculate(high_data, low_data) def analyze(self, high_data, low_data): aroon_up, aroon_down = self.calculate(high_data, low_data) aroon_delta = subtract(aroon_up, aroon_down) signal_type = SignalTypes.NEUTRAL if aroon_down[-1] < 50 < aroon_up[-1]: signal_type = SignalTypes.BULLISH elif aroon_up[-1] < 50 < aroon_down[-1]: signal_type = SignalTypes.BEARISH if aroon_delta[-1] > 50: signal_strength = SignalStrengthTypes.STRONG elif aroon_delta[-1] > 20: signal_strength = SignalStrengthTypes.MODEST else: signal_strength = SignalStrengthTypes.WEAK return dict(signal_type=signal_type, signal_strength=signal_strength, aroon_up=aroon_up[-1], aroon_down=aroon_down[-1]) def analyze_for_symbol(self, symbol, end_date=datetime.today()): data = self._data_for_symbol(symbol, self._num_periods + self._window_size, end_date, key=None) high_data = [x[PastQuoteDataKeys.ADJ_HIGH] for x in data] low_data = [x[PastQuoteDataKeys.ADJ_LOW] for x in data] return self.analyze(high_data, low_data)
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@testset "matmul" begin using NeuralAttentionlib.Matmul function matmul_test(x, y, s) cx = x isa CollapsedDimArray ? collapseddim(x) : x cy = y isa CollapsedDimArray ? collapseddim(y) : y return matmul(x, y, s) ≈ batched_mul(cx, cy) .* s end uwcs(x) = size(unwrap_collapse(x)) @testset "gemm_strided Float64" begin a = randn(7, 6, 5, 4, 3, 2) b = randn(42, 20, 6) bt = randn(20, 42, 6) c = randn(42, 60, 2) ct = randn(60, 42, 2) s = rand() + 1 ca1 = CollapsedDimArray(a, 3, 5) ca2 = CollapsedDimArray(a, 3, 6) @test matmul_test(ca1, bt, s) @test matmul_test(ca1, batched_transpose(b), s) @test matmul_test(bt, ca1, s) @test matmul_test(batched_transpose(b), ca1, s) @test matmul_test(batched_transpose(ca1), b, s) @test matmul_test(batched_transpose(ca1), batched_transpose(bt), s) @test matmul_test(b, batched_transpose(ca1), s) @test matmul_test(batched_transpose(bt), batched_transpose(ca1), s) @test matmul_test(ca1, batched_adjoint(b), s) @test matmul_test(batched_adjoint(b), ca1, s) @test matmul_test(batched_adjoint(ca1), b, s) @test matmul_test(batched_adjoint(ca1), batched_adjoint(bt), s) @test matmul_test(b, batched_adjoint(ca1), s) @test matmul_test(batched_adjoint(bt), batched_adjoint(ca1), s) @test uwcs(matmul(ca1, bt)) == (7, 6, 42, 6) @test uwcs(matmul(bt, ca1)) == (20, 5, 4, 3, 2) @test uwcs(matmul(batched_transpose(ca1), b)) == (5, 4, 20, 6) @test uwcs(matmul(batched_transpose(b), ca1)) == (20, 5, 4, 3, 2) @test matmul_test(ca2, ct, s) @test matmul_test(ca2, batched_transpose(c), s) @test matmul_test(ct, ca2, s) @test matmul_test(batched_transpose(c), ca2, s) @test matmul_test(batched_transpose(ca2), c, s) @test matmul_test(batched_transpose(ca2), batched_transpose(ct), s) @test matmul_test(c, batched_transpose(ca2), s) @test matmul_test(batched_transpose(ct), batched_transpose(ca2), s) @test uwcs(matmul(ca2, ct)) == (7, 6, 42, 2) @test uwcs(matmul(ct, ca2)) == (60, 5, 4, 3, 2) @test uwcs(matmul(batched_transpose(ca2), c)) == (5, 4, 3, 60, 2) @test uwcs(matmul(batched_transpose(c), ca2)) == (60, 5, 4, 3, 2) end @testset "gemm_strided Float32" begin a = randn(Float32, 7, 6, 5, 4, 3, 2) b = randn(Float32, 42, 20, 6) bt = randn(Float32, 20, 42, 6) c = randn(Float32, 42, 60, 2) ct = randn(Float32, 60, 42, 2) s = rand(Float32) + 1 ca1 = CollapsedDimArray(a, 3, 5) ca2 = CollapsedDimArray(a, 3, 6) @test matmul_test(ca1, bt, s) @test matmul_test(ca1, batched_transpose(b), s) @test matmul_test(bt, ca1, s) @test matmul_test(batched_transpose(b), ca1, s) @test matmul_test(batched_transpose(ca1), b, s) @test matmul_test(batched_transpose(ca1), batched_transpose(bt), s) @test matmul_test(b, batched_transpose(ca1), s) @test matmul_test(batched_transpose(bt), batched_transpose(ca1), s) @test matmul_test(ca1, batched_adjoint(b), s) @test matmul_test(batched_adjoint(b), ca1, s) @test matmul_test(batched_adjoint(ca1), b, s) @test matmul_test(batched_adjoint(ca1), batched_adjoint(bt), s) @test matmul_test(b, batched_adjoint(ca1), s) @test matmul_test(batched_adjoint(bt), batched_adjoint(ca1), s) @test matmul_test(ca2, ct, s) @test matmul_test(ca2, batched_transpose(c), s) @test matmul_test(ct, ca2, s) @test matmul_test(batched_transpose(c), ca2, s) @test matmul_test(batched_transpose(ca2), c, s) @test matmul_test(batched_transpose(ca2), batched_transpose(ct), s) @test matmul_test(c, batched_transpose(ca2), s) @test matmul_test(batched_transpose(ct), batched_transpose(ca2), s) end @testset "gemm_strided ComplexF64" begin a = randn(ComplexF64, 7, 6, 5, 4, 3, 2) b = randn(ComplexF64, 42, 20, 6) bt = randn(ComplexF64, 20, 42, 6) c = randn(ComplexF64, 42, 60, 2) ct = randn(ComplexF64, 60, 42, 2) s = rand(ComplexF64) + 1 ca1 = CollapsedDimArray(a, 3, 5) ca2 = CollapsedDimArray(a, 3, 6) @test matmul_test(ca1, bt, s) @test matmul_test(ca1, batched_transpose(b), s) @test matmul_test(bt, ca1, s) @test matmul_test(batched_transpose(b), ca1, s) @test matmul_test(batched_transpose(ca1), b, s) @test matmul_test(batched_transpose(ca1), batched_transpose(bt), s) @test matmul_test(b, batched_transpose(ca1), s) @test matmul_test(batched_transpose(bt), batched_transpose(ca1), s) @test matmul_test(ca1, batched_adjoint(b), s) @test matmul_test(batched_adjoint(b), ca1, s) @test matmul_test(batched_adjoint(ca1), b, s) @test matmul_test(batched_adjoint(ca1), batched_adjoint(bt), s) @test matmul_test(b, batched_adjoint(ca1), s) @test matmul_test(batched_adjoint(bt), batched_adjoint(ca1), s) @test matmul_test(ca2, ct, s) @test matmul_test(ca2, batched_transpose(c), s) @test matmul_test(ct, ca2, s) @test matmul_test(batched_transpose(c), ca2, s) @test matmul_test(batched_transpose(ca2), c, s) @test matmul_test(batched_transpose(ca2), batched_transpose(ct), s) @test matmul_test(c, batched_transpose(ca2), s) @test matmul_test(batched_transpose(ct), batched_transpose(ca2), s) end @testset "gemm_strided ComplexF32" begin a = randn(ComplexF32, 7, 6, 5, 4, 3, 2) b = randn(ComplexF32, 42, 20, 6) bt = randn(ComplexF32, 20, 42, 6) c = randn(ComplexF32, 42, 60, 2) ct = randn(ComplexF32, 60, 42, 2) s = rand(ComplexF32) + 1 ca1 = CollapsedDimArray(a, 3, 5) ca2 = CollapsedDimArray(a, 3, 6) @test matmul_test(ca1, bt, s) @test matmul_test(ca1, batched_transpose(b), s) @test matmul_test(bt, ca1, s) @test matmul_test(batched_transpose(b), ca1, s) @test matmul_test(batched_transpose(ca1), b, s) @test matmul_test(batched_transpose(ca1), batched_transpose(bt), s) @test matmul_test(b, batched_transpose(ca1), s) @test matmul_test(batched_transpose(bt), batched_transpose(ca1), s) @test matmul_test(ca1, batched_adjoint(b), s) @test matmul_test(batched_adjoint(b), ca1, s) @test matmul_test(batched_adjoint(ca1), b, s) @test matmul_test(batched_adjoint(ca1), batched_adjoint(bt), s) @test matmul_test(b, batched_adjoint(ca1), s) @test matmul_test(batched_adjoint(bt), batched_adjoint(ca1), s) @test matmul_test(ca2, ct, s) @test matmul_test(ca2, batched_transpose(c), s) @test matmul_test(ct, ca2, s) @test matmul_test(batched_transpose(c), ca2, s) @test matmul_test(batched_transpose(ca2), c, s) @test matmul_test(batched_transpose(ca2), batched_transpose(ct), s) @test matmul_test(c, batched_transpose(ca2), s) @test matmul_test(batched_transpose(ct), batched_transpose(ca2), s) end @testset "AD" begin test_rrule(matmul, randn(7,6,5), randn(6, 2), randn()) test_rrule(matmul, randn(7,6,5,4), randn(6), randn()) test_rrule(matmul, CollapsedDimArray(randn(2,2,2,2,2,3), 4, 6), batched_transpose(randn(5,4,3)), randn(); check_inferred=false) end end
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#ifndef UTILS_H #define UTILS_H #include <boost/dynamic_bitset.hpp> bool is_match(boost::dynamic_bitset<> r1, boost::dynamic_bitset<> r2); boost::dynamic_bitset<> intersection(boost::dynamic_bitset<> r1, boost::dynamic_bitset<> r2); bool is_zero(boost::dynamic_bitset<> r1); #endif
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import numpy as np import pickle lexicon = [] with open('ptb.txt','r') as f: contents = f.readlines() for l in contents[:len(contents)]: all_words=l.split() lexicon += list(all_words) lexicon = list(set(lexicon)); print(lexicon) vocb_size=len(lexicon)+1 print('vocb_size', vocb_size) pad=vocb_size voc = lexicon vocab=dict([(x, y) for (y, x) in enumerate(voc)]) rev_vocab=dict([(x, y) for (x, y) in enumerate(voc)]) # Input data_file with open('ptb.txt','r') as f: contents = f.readlines() x=[] for sentence in contents: a=sentence; d=sorted(a); token=[vocab.get(w) for w in d] n_token=[] for i in token: if(i!= None): n_token.append(i) x.append(n_token) max_len=0 ipf=[] for i in x: if max_len<=len(i): max_len=len(i) else: max_len=max_len for i in x: j=[] j=np.lib.pad(i, (0,max_len-len(i)), 'constant', constant_values=(pad)) ipf.append(j) data_x = np.array(ipf).T # Train_X testing_size=int(data_x.shape[1]-1) train_x= data_x[:,:testing_size] print('train_x.shape', train_x.shape) #Getting Seq_len seq_length=len(train_x) print('seq_length', seq_length) n_sents=train_x.shape[1] print('n_sents', n_sents) #Test_X test_x=data_x[:,testing_size:] print('test_x.shape', test_x.shape) t=test_x.flatten() tok=[rev_vocab.get(i) for i in t] n_token=[] for i in tok: if(i!= None): n_token.append(i) c = ''.join(n_token); print('Test_i/p',c) # Output data_file with open('ptb.txt','r') as f: contents = f.readlines() y=[] for l in contents[:len(contents)]: token=[vocab.get(w) for w in l] n_token=[] for i in token: if(i!=None): n_token.append(i) y.append(n_token) max_len=0 opf=[] w=[] for i in y: if max_len<=len(i): max_len=len(i) else: max_len=max_len for i in y: j=[] j=np.lib.pad(i, (0,max_len-len(i)), 'constant', constant_values=(pad)) p=np.ones_like(j,dtype=np.float32) for i in xrange(len(j)): if j[i]==pad: index_v=i p[index_v]=0 w.append(p) opf.append(j) data_y = np.array(opf).T #train_y testing_size=int(data_y.shape[1]-1) train_y=data_y[:,:testing_size] print('train_y.shape', train_y.shape) #test_y test_y=data_y[:,testing_size:] print('test_y.shape', test_y.shape) t=test_y.flatten() tok=[rev_vocab.get(i) for i in t] n_token=[] for i in tok: if(i!= None): n_token.append(i) c = ''.join(n_token); print('Test_o/p',c) #data_weights testing_size=int(data_y.shape[1]-1) data_weight=np.array(w).T weight=data_weight[:,:testing_size] print('weight.shape', weight.shape) with open('data_set.pickle','wb') as f: pickle.dump([train_x,train_y,test_x,test_y,weight,seq_length,n_sents,vocb_size,rev_vocab],f)
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# -*- coding: utf-8 -*- """Bank.ipynb Automatically generated by Colaboratory. Original file is located at https://colab.research.google.com/drive/1tMPdw2KcPL1QKwzoieGUrpqLRXAWg0Uf """ import numpy as np import matplotlib.pyplot as plt import pandas as pd df = pd.read_csv('bank.csv', delimiter = ';', quoting = 3) df=df.dropna(how='any') df from sklearn.preprocessing import LabelEncoder le1=LabelEncoder() le2=LabelEncoder() df['"age"']=le1.fit_transform(df['"age"']) df['"job"']=le1.fit_transform(df['"job"']) df['"marital"']=le1.fit_transform(df['"marital"']) df['"education"']=le1.fit_transform(df['"education"']) df['"default"']=le1.fit_transform(df['"default"']) df['"housing"']=le1.fit_transform(df['"housing"']) df['"loan"']=le1.fit_transform(df['"loan"']) df['"contact"']=le1.fit_transform(df['"contact"']) df['"month"']=le1.fit_transform(df['"month"']) df['"day_of_week"']=le1.fit_transform(df['"day_of_week"']) df['"duration"']=le1.fit_transform(df['"duration"']) df['"campaign"']=le1.fit_transform(df['"campaign"']) df['"pdays"']=le1.fit_transform(df['"pdays"']) df['"previous"']=le1.fit_transform(df['"previous"']) df['"poutcome"']=le1.fit_transform(df['"poutcome"']) df['"emp.var.rate"']=le1.fit_transform(df['"emp.var.rate"']) df['"cons.price.idx"']=le1.fit_transform(df['"cons.price.idx"']) df['"cons.conf.idx"']=le1.fit_transform(df['"cons.conf.idx"']) df['"euribor3m"']=le1.fit_transform(df['"euribor3m"']) df['"nr.employed"']=le1.fit_transform(df['"nr.employed"']) df['"y"']=le2.fit_transform(df['"y"']) df X=df.iloc[:,:-1].values y=df.iloc[:,-1].values from sklearn.model_selection import train_test_split X_train, X_test, y_train, y_test = train_test_split(X, y, test_size = 0.25, random_state = 0) import tensorflow as tf ann = tf.keras.models.Sequential() ann.add(tf.keras.layers.Dense(units=30, activation='relu')) ann.add(tf.keras.layers.Dense(units=30, activation='relu')) ann.add(tf.keras.layers.Dense(units=1,activation='sigmoid')) ann.compile(optimizer = 'adam', loss = 'binary_crossentropy', metrics = ['accuracy']) history=ann.fit(X_train, y_train, batch_size=15, epochs=150) ann.save("Bank.h5") plt.figure(0) plt.plot(history.history['accuracy'], label='training accuracy') plt.title('Accuracy') plt.xlabel('epochs') plt.ylabel('accuracy') plt.legend() plt.savefig('Accuracy.png') plt.figure(1) plt.plot(history.history['loss'], label='training loss') plt.title('Loss') plt.xlabel('epochs') plt.ylabel('loss') plt.legend() plt.savefig('Loss.png') print("Saved Model & Graph to disk") y_pred = ann.predict(X_test) y_pred=np.round(y_pred) print(np.concatenate((y_pred.reshape(len(y_pred),1), y_test.reshape(len(y_test),1)),1)) from sklearn.metrics import confusion_matrix, accuracy_score cm = confusion_matrix(y_test, y_pred) print(cm) accuracy_score(y_test, y_pred)
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(* Title: HOL/Library/Uprod.thy Author: Andreas Lochbihler, ETH Zurich *) section \<open>Unordered pairs\<close> theory Uprod imports Main begin typedef ('a, 'b) commute = "{f :: 'a \<Rightarrow> 'a \<Rightarrow> 'b. \<forall>x y. f x y = f y x}" morphisms apply_commute Abs_commute by auto setup_lifting type_definition_commute lemma apply_commute_commute: "apply_commute f x y = apply_commute f y x" by(transfer) simp context includes lifting_syntax begin lift_definition rel_commute :: "('a \<Rightarrow> 'b \<Rightarrow> bool) \<Rightarrow> ('c \<Rightarrow> 'd \<Rightarrow> bool) \<Rightarrow> ('a, 'c) commute \<Rightarrow> ('b, 'd) commute \<Rightarrow> bool" is "\<lambda>A B. A ===> A ===> B" . end definition eq_upair :: "('a \<times> 'a) \<Rightarrow> ('a \<times> 'a) \<Rightarrow> bool" where "eq_upair = (\<lambda>(a, b) (c, d). a = c \<and> b = d \<or> a = d \<and> b = c)" lemma eq_upair_simps [simp]: "eq_upair (a, b) (c, d) \<longleftrightarrow> a = c \<and> b = d \<or> a = d \<and> b = c" by(simp add: eq_upair_def) lemma equivp_eq_upair: "equivp eq_upair" by(auto simp add: equivp_def fun_eq_iff) quotient_type 'a uprod = "'a \<times> 'a" / eq_upair by(rule equivp_eq_upair) lift_definition Upair :: "'a \<Rightarrow> 'a \<Rightarrow> 'a uprod" is Pair parametric Pair_transfer[of "A" "A" for A] . lemma uprod_exhaust [case_names Upair, cases type: uprod]: obtains a b where "x = Upair a b" by transfer fastforce lemma Upair_inject [simp]: "Upair a b = Upair c d \<longleftrightarrow> a = c \<and> b = d \<or> a = d \<and> b = c" by transfer auto code_datatype Upair lift_definition case_uprod :: "('a, 'b) commute \<Rightarrow> 'a uprod \<Rightarrow> 'b" is case_prod parametric case_prod_transfer[of A A for A] by auto lemma case_uprod_simps [simp, code]: "case_uprod f (Upair x y) = apply_commute f x y" by transfer auto lemma uprod_split: "P (case_uprod f x) \<longleftrightarrow> (\<forall>a b. x = Upair a b \<longrightarrow> P (apply_commute f a b))" by transfer auto lemma uprod_split_asm: "P (case_uprod f x) \<longleftrightarrow> \<not> (\<exists>a b. x = Upair a b \<and> \<not> P (apply_commute f a b))" by transfer auto lift_definition not_equal :: "('a, bool) commute" is "(\<noteq>)" by auto lemma apply_not_equal [simp]: "apply_commute not_equal x y \<longleftrightarrow> x \<noteq> y" by transfer simp definition proper_uprod :: "'a uprod \<Rightarrow> bool" where "proper_uprod = case_uprod not_equal" lemma proper_uprod_simps [simp, code]: "proper_uprod (Upair x y) \<longleftrightarrow> x \<noteq> y" by(simp add: proper_uprod_def) context includes lifting_syntax begin private lemma set_uprod_parametric': "(rel_prod A A ===> rel_set A) (\<lambda>(a, b). {a, b}) (\<lambda>(a, b). {a, b})" by transfer_prover lift_definition set_uprod :: "'a uprod \<Rightarrow> 'a set" is "\<lambda>(a, b). {a, b}" parametric set_uprod_parametric' by auto lemma set_uprod_simps [simp, code]: "set_uprod (Upair x y) = {x, y}" by transfer simp lemma finite_set_uprod [simp]: "finite (set_uprod x)" by(cases x) simp private lemma map_uprod_parametric': "((A ===> B) ===> rel_prod A A ===> rel_prod B B) (\<lambda>f. map_prod f f) (\<lambda>f. map_prod f f)" by transfer_prover lift_definition map_uprod :: "('a \<Rightarrow> 'b) \<Rightarrow> 'a uprod \<Rightarrow> 'b uprod" is "\<lambda>f. map_prod f f" parametric map_uprod_parametric' by auto lemma map_uprod_simps [simp, code]: "map_uprod f (Upair x y) = Upair (f x) (f y)" by transfer simp private lemma rel_uprod_transfer': "((A ===> B ===> (=)) ===> rel_prod A A ===> rel_prod B B ===> (=)) (\<lambda>R (a, b) (c, d). R a c \<and> R b d \<or> R a d \<and> R b c) (\<lambda>R (a, b) (c, d). R a c \<and> R b d \<or> R a d \<and> R b c)" by transfer_prover lift_definition rel_uprod :: "('a \<Rightarrow> 'b \<Rightarrow> bool) \<Rightarrow> 'a uprod \<Rightarrow> 'b uprod \<Rightarrow> bool" is "\<lambda>R (a, b) (c, d). R a c \<and> R b d \<or> R a d \<and> R b c" parametric rel_uprod_transfer' by auto lemma rel_uprod_simps [simp, code]: "rel_uprod R (Upair a b) (Upair c d) \<longleftrightarrow> R a c \<and> R b d \<or> R a d \<and> R b c" by transfer auto lemma Upair_parametric [transfer_rule]: "(A ===> A ===> rel_uprod A) Upair Upair" unfolding rel_fun_def by transfer auto lemma case_uprod_parametric [transfer_rule]: "(rel_commute A B ===> rel_uprod A ===> B) case_uprod case_uprod" unfolding rel_fun_def by transfer(force dest: rel_funD) end bnf uprod: "'a uprod" map: map_uprod sets: set_uprod bd: natLeq rel: rel_uprod proof - show "map_uprod id = id" unfolding fun_eq_iff by transfer auto show "map_uprod (g \<circ> f) = map_uprod g \<circ> map_uprod f" for f :: "'a \<Rightarrow> 'b" and g :: "'b \<Rightarrow> 'c" unfolding fun_eq_iff by transfer auto show "map_uprod f x = map_uprod g x" if "\<And>z. z \<in> set_uprod x \<Longrightarrow> f z = g z" for f :: "'a \<Rightarrow> 'b" and g x using that by transfer auto show "set_uprod \<circ> map_uprod f = (`) f \<circ> set_uprod" for f :: "'a \<Rightarrow> 'b" by transfer auto show "card_order natLeq" by(rule natLeq_card_order) show "BNF_Cardinal_Arithmetic.cinfinite natLeq" by(rule natLeq_cinfinite) show "regularCard natLeq" by(rule regularCard_natLeq) show "ordLess2 (card_of (set_uprod x)) natLeq" for x :: "'a uprod" by (auto simp flip: finite_iff_ordLess_natLeq) show "rel_uprod R OO rel_uprod S \<le> rel_uprod (R OO S)" for R :: "'a \<Rightarrow> 'b \<Rightarrow> bool" and S :: "'b \<Rightarrow> 'c \<Rightarrow> bool" by(rule predicate2I)(transfer; auto) show "rel_uprod R = (\<lambda>x y. \<exists>z. set_uprod z \<subseteq> {(x, y). R x y} \<and> map_uprod fst z = x \<and> map_uprod snd z = y)" for R :: "'a \<Rightarrow> 'b \<Rightarrow> bool" by transfer(auto simp add: fun_eq_iff) qed lemma pred_uprod_code [simp, code]: "pred_uprod P (Upair x y) \<longleftrightarrow> P x \<and> P y" by(simp add: pred_uprod_def) instantiation uprod :: (equal) equal begin definition equal_uprod :: "'a uprod \<Rightarrow> 'a uprod \<Rightarrow> bool" where "equal_uprod = (=)" lemma equal_uprod_code [code]: "HOL.equal (Upair x y) (Upair z u) \<longleftrightarrow> x = z \<and> y = u \<or> x = u \<and> y = z" unfolding equal_uprod_def by simp instance by standard(simp add: equal_uprod_def) end quickcheck_generator uprod constructors: Upair lemma UNIV_uprod: "UNIV = (\<lambda>x. Upair x x) ` UNIV \<union> (\<lambda>(x, y). Upair x y) ` Sigma UNIV (\<lambda>x. UNIV - {x})" apply(rule set_eqI) subgoal for x by(cases x) auto done context begin private lift_definition upair_inv :: "'a uprod \<Rightarrow> 'a" is "\<lambda>(x, y). if x = y then x else undefined" by auto lemma finite_UNIV_prod [simp]: "finite (UNIV :: 'a uprod set) \<longleftrightarrow> finite (UNIV :: 'a set)" (is "?lhs = ?rhs") proof assume ?lhs hence "finite (range (\<lambda>x :: 'a. Upair x x))" by(rule finite_subset[rotated]) simp hence "finite (upair_inv ` range (\<lambda>x :: 'a. Upair x x))" by(rule finite_imageI) also have "upair_inv (Upair x x) = x" for x :: 'a by transfer simp then have "upair_inv ` range (\<lambda>x :: 'a. Upair x x) = UNIV" by(auto simp add: image_image) finally show ?rhs . qed(simp add: UNIV_uprod) end lemma card_UNIV_uprod: "card (UNIV :: 'a uprod set) = card (UNIV :: 'a set) * (card (UNIV :: 'a set) + 1) div 2" (is "?UPROD = ?A * _ div _") proof(cases "finite (UNIV :: 'a set)") case True from True obtain f :: "nat \<Rightarrow> 'a" where bij: "bij_betw f {0..<?A} UNIV" by (blast dest: ex_bij_betw_nat_finite) hence [simp]: "f ` {0..<?A} = UNIV" by(rule bij_betw_imp_surj_on) have "UNIV = (\<lambda>(x, y). Upair (f x) (f y)) ` (SIGMA x:{0..<?A}. {..x})" apply(rule set_eqI) subgoal for x apply(cases x) apply(clarsimp) subgoal for a b apply(cases "inv_into {0..<?A} f a \<le> inv_into {0..<?A} f b") subgoal by(rule rev_image_eqI[where x="(inv_into {0..<?A} f _, inv_into {0..<?A} f _)"]) (auto simp add: inv_into_into[where A="{0..<?A}" and f=f, simplified] intro: f_inv_into_f[where f=f, symmetric]) subgoal apply(simp only: not_le) apply(drule less_imp_le) apply(rule rev_image_eqI[where x="(inv_into {0..<?A} f _, inv_into {0..<?A} f _)"]) apply(auto simp add: inv_into_into[where A="{0..<?A}" and f=f, simplified] intro: f_inv_into_f[where f=f, symmetric]) done done done done hence "?UPROD = card \<dots>" by simp also have "\<dots> = card (SIGMA x:{0..<?A}. {..x})" apply(rule card_image) using bij[THEN bij_betw_imp_inj_on] by(simp add: inj_on_def Ball_def)(metis leD le_eq_less_or_eq le_less_trans) also have "\<dots> = sum Suc {0..<?A}" by (subst card_SigmaI) simp_all also have "\<dots> = sum of_nat {Suc 0..?A}" using sum.atLeastLessThan_reindex [symmetric, of Suc 0 ?A id] by (simp del: sum.op_ivl_Suc add: atLeastLessThanSuc_atLeastAtMost) also have "\<dots> = ?A * (?A + 1) div 2" using gauss_sum_from_Suc_0 [of ?A, where ?'a = nat] by simp finally show ?thesis . qed simp end
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import gi import time import math import cairo import numpy gi.require_version('Gtk', '3.0') # noqa gi.require_version('Gio', '2.0') # noqa gi.require_version('GLib', '2.0') # noqa gi.require_version('Wnck', '3.0') # noqa gi.require_version('GdkPixbuf', '2.0') # noqa from PIL import Image from threading import Thread from applications import AppCache, WindowTracker, groupings, get_icon_pixbuf_for_appinfo, get_gicon_pixbuf from gi.repository import Gtk, Gio, GdkPixbuf, GLib, Wnck from dominantcolors import rgba2rgb, find_dominant_colors default_screen = Wnck.Screen.get_default() def lerp(start, end, amt): return (1-amt)*start+amt*end def pixbuf2image(pix): data = pix.get_pixels() w = pix.props.width h = pix.props.height stride = pix.props.rowstride mode = "RGB" if pix.props.has_alpha == True: mode = "RGBA" im = Image.frombytes(mode, (w, h), data, "raw", mode, stride) return im def image2pixbuf(im): width, height = im.size return GdkPixbuf.Pixbuf.new_from_bytes(GLib.Bytes.new(im.tobytes("raw", "RGBA")), GdkPixbuf.Colorspace.RGB, True, 8, width, height, width * 4) def should_show_window(window): return window.get_window_type() == Wnck.WindowType.NORMAL or window.get_window_type() == Wnck.WindowType.SPLASHSCREEN def create_icon(click_event, *, icon_image, name="Application"): arr = numpy.asarray(icon_image) if icon_image.mode == 'RGBA': arr = rgba2rgb(arr) DOT_SPACING = 20 DOT_SIZE = 5 MAXIMUM_DOTS = 5 dot_amount = 0 dot_color = find_dominant_colors(arr, 1)[0] dot_opacity = 1 icon_pixbuf = image2pixbuf(icon_image) icon_pixbuf = icon_pixbuf.scale_simple( 100, 100, GdkPixbuf.InterpType.BILINEAR) def update_dots(amount, color=None, opacity=None): nonlocal dot_amount, dot_color, dot_opacity dot_amount = min(amount, MAXIMUM_DOTS) dot_color = color if color else dot_color dot_opacity = opacity if opacity else dot_opacity dots.queue_draw() def render_dots(widget, ctx): cairo_color = [*map(lambda element: element / 255, dot_color)] widget_size, _ = widget.get_allocated_size() for i in range(dot_amount): dot_x = widget_size.width / 2 - ((i - (dot_amount - 1) / 2) * DOT_SPACING) dot_y = widget_size.height / 2 pat = cairo.RadialGradient( dot_x, dot_y, 0.0, dot_x, dot_y, DOT_SIZE) pat.add_color_stop_rgb(0, *cairo_color) pat.add_color_stop_rgb(0.3, *cairo_color) pat.add_color_stop_rgb( 1, *map(lambda element: min(element + 0.03, 1), cairo_color)) ctx.arc(dot_x, dot_y, DOT_SIZE, 0, 2 * math.pi) ctx.set_source(pat) ctx.fill() box = Gtk.Box(orientation=Gtk.Orientation.VERTICAL, spacing=10) box.set_tooltip_text(name) image = Gtk.Image.new_from_pixbuf(icon_pixbuf) dots = Gtk.DrawingArea() dots.connect("draw", render_dots) dots.set_size_request(-1, DOT_SIZE + 10) dots.queue_draw() box.add(image) box.add(dots) box.show_all() return (box, update_dots) ANIMATE_DURATION = 2010 class Dock(Gtk.Bin): def __init__(self, screen=default_screen, app_cache=None, window_tracker=None): super().__init__() self.current_width = 0 self.old_width = 0 self.animation_progress = 1 self.animation_start = 0 self._box = Gtk.Box(orientation=Gtk.Orientation.HORIZONTAL, spacing=10) self._box.get_style_context().add_class("dock") self.app_cache = app_cache or AppCache(load_applications=True) self.window_tracker = window_tracker or WindowTracker( app_cache=self.app_cache, screen=screen, flter=self.window_filter) self.window_tracker.track_by(should_show_window) self.window_tracker.connect("update", self.rerender) self.add(self._box) self.show_all() def calc_width(self): return len(self._box.get_children()) * 110 + 10 def rerender(self, _): self.set_size_request(self.calc_width(), -1) groups = self.window_tracker.get_groups( groupby=groupings.by_wmclass_group) for child in self._box.get_children(): self._box.remove(child) for group in groups: app_info = self.app_cache.get_appinfo_for_wmclass( group[0].get_class_group_name()) icon, update_icon = create_icon(lambda: None, icon_image=pixbuf2image(get_icon_pixbuf_for_appinfo( app_info) if app_info else get_gicon_pixbuf(Gio.ThemedIcon.new_from_names(["dialog-error-symbolic"]))), name=app_info.get_name() if app_info else group[0].get_name()) self._box.add(icon) icon.show() update_icon(len(group)) print("group added:", app_info.get_name() if app_info else group[0].get_name()) # self.animate_width(self.calc_width())w # anim_thread = Thread(target=lambda: self.animate_width(self.calc_width())) # anim_thread.start() def animation_step(self, *_): current_time = time.time() animation_progress = min( (current_time - self.animation_start) * 1000 / ANIMATE_DURATION, 1) self.set_size_request( lerp(self.old_width, self.current_width, animation_progress), -1) print(self.get_size_request().width) self.queue_draw() return animation_progress < 1 def animate_width(self, target): if self.current_width != target: self.old_width = self.current_width self.current_width = target self.animation_start = time.time() GLib.timeout_add(100, self.animation_step) def window_filter(self, window): return window.get_window_type() == Wnck.WindowType.NORMAL
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import numpy as np from pyraf import iraf from pyraf.iraf import kepler ''' Useful functions for Kepler light curve processing Use this with the program 'makelc.py' Originally by Jean McKeever Edited and improved by Meredith Rawls ''' # calculate orbital phase # times must be a list of observation times in the same units as BJD0 # it returns 'phases': orbital phases from 0 to 1 # it also returns 'phasedoubles': twice as long as 'phases' and now from 0 to 2 def phasecalc(times, period=100, BJD0=2454833): phases = [] cycles = [] for i in range(0, len(times)): fracP = (times[i] - BJD0) / period if fracP < 0: phases.append(fracP % 1) cycles.append(int(fracP)) else: phases.append(fracP % 1) cycles.append(int(fracP) + 1) #print(fracP, phases[i]) return phases # remove long-term trends # uses a simple 3rd-order polynomial by default # operates on one array at a time (e.g., after all quarters have been combined) def long_detrend(t, flux, order=3): model = np.polyfit(t, flux, order) fit = np.zeros(len(t)) # apply the model coefficients to create the fit for i in range(0, order+1): fit += model[i]*np.power(t, (order-i)) #flux = flux/fit*1e6 - 1e6 # put it in ppm >:( flux = flux/fit*np.median(flux) # don't put it in ppm, because ppm is annoying return t, flux # Delete any observation that has one or more NaN values. # Assumes there are six parallel arrays... use dummy arrays if you don't have 6 # columns of interest to operate on (sorry). # Operates on one quarter at a time def nan_delete(time, flux, ferr, other1, other2, other3): a = [] a = [time, flux, ferr, other1, other2, other3] atrans = np.transpose(a) newatrans = [] newa = [] for row in atrans: # only save rows that DON'T contain a NaN value if np.isnan(row).any() != True: newatrans.append(row) newa = np.transpose(newatrans) newtime = newa[0] newflux = newa[1] newferr = newa[2] newother1 = newa[3] newother2 = newa[4] newother3 = newa[5] return newtime, newflux, newferr, newother1, newother2, newother3 # Put data from different quarters on the same AVERAGE level # operates on a list of arrays (multiple quarters) all at once # DON'T USE THIS ONE # def normalize_qtr_avg(flux): # sumflux = 0 # npts = 0 # for arr in flux: # sumflux += np.nansum(arr) # npts += len(arr[arr>0]) # avgflux = sumflux/npts # overall average for all quarters # for arr in flux: # avg_arr = np.mean(arr[arr>0]) # average for an individual quarter # arr += avgflux - avg_arr # return flux # Put data from different quarters on the same MEDIAN level # operates on a list of arrays (multiple quarters) all at once def normalize_qtr_med(flux): sumflux = 0 npts = 0 for arr in flux: sumflux += np.nansum(arr) npts += len(arr) avgflux = sumflux/npts # overall average for all quarters for arr in flux: med_arr = np.median(arr) # median for an individual quarter arr += avgflux - med_arr return flux # Line up the gaps within each quarter # operates on a list of arrays (multiple quarters) all at once def lineup_qtr_gaps(time, flux, maskstart, maskend): diffs = np.zeros(len(time) - 1) for i in range(0,len(time) - 1): # loop through quarters # calculate differences between flux points at quarter start/end start = 0 end = -1 for idx, mask in enumerate(maskstart): while (time[i][end] > maskstart[idx] and time[i][end] < maskend[idx]): #print('end', end, time[i][end], maskstart[idx], maskend[idx]) end -= 1 while (time[i+1][start] > maskstart[idx] and time[i+1][start] < maskend[idx]): #print('start', start, time[i+1][start], maskstart[idx], maskend[idx]) start += 1 diffs[i] = (flux[i][end] - flux[i+1][start]) # maxi will find the point with the largest change in flux maxi = lambda z: np.where(max(abs(z)) == abs(z))[0][0] cntr = 0 # counter max_val = max(abs(diffs)) while max_val > 100: #original value here was 100 # this is the index of the largest change in flux, so it needs adjusting ind = maxi(diffs) # this is the actual change in flux associated with that index diff = diffs[ind] # adjust the flux at this spot and its neighbor so they meet flux[ind] = flux[ind] - diff/2.0 flux[ind+1] = flux[ind+1] + diff/2.0 diffs = np.zeros(len(time) - 1) for i in range(0, len(time) - 1): # calculate differences between flux points at quarter start/end, again start = 0 end = -1 for idx, mask in enumerate(maskstart): while time[i][end] > maskstart[idx] and time[i][end] < maskend[idx]: #print('end', end, time[i][end], maskstart[idx], maskend[idx]) end -= 1 while time[i+1][start] > maskstart[idx] and time[i+1][start] < maskend[idx]: #print('start', start, time[i+1][start], maskstart[idx], maskend[idx]) start += 1 diffs[i] = (flux[i][end] - flux[i+1][start]) cntr += 1 # count how many times this while-loop happens max_val = max(abs(diffs)) # print(max_val, cntr) return time, flux # performs detrending with cotrending basis vectors (cbvs) # lcin and lcout must both be FITS filenames def kepcotrend(lcin, lcout, cbvfile, maskfile=''): iraf.kepcotrend(infile=lcin, outfile=lcout, cbvfile=cbvfile, vectors='1 2', method='simplex', fitpower=1, iterate='yes', sigmaclip=2.0, maskfile=maskfile, scinterp='None', plot='no', clobber='yes', verbose='no') return
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from __future__ import print_function import argparse import os import sys import random import math import shutil import numbers import numpy as np import torch import torch.nn.parallel import torch.optim as optim import torch.optim.lr_scheduler as lr_scheduler import torch.utils.data from torch.utils.tensorboard import SummaryWriter from source.points_to_surf_model import PointsToSurfModel from source import data_loader from source import sdf_nn from source.base import evaluation debug = False def parse_arguments(args=None): parser = argparse.ArgumentParser() parser.add_argument('--name', type=str, default='debug', help='training run name') parser.add_argument('--desc', type=str, default='My training run for single-scale normal estimation.', help='description') parser.add_argument('--indir', type=str, default='datasets/abc_minimal', help='input folder (meshes)') parser.add_argument('--outdir', type=str, default='models', help='output folder (trained models)') parser.add_argument('--logdir', type=str, default='logs', help='training log folder') parser.add_argument('--trainset', type=str, default='trainset.txt', help='training set file name') parser.add_argument('--testset', type=str, default='testset.txt', help='test set file name') parser.add_argument('--save_interval', type=int, default='10', help='save model each n epochs') parser.add_argument('--debug_interval', type=int, default='1', help='print logging info each n epochs') parser.add_argument('--refine', type=str, default='', help='refine model at this path') parser.add_argument('--gpu_idx', type=int, default=[0], nargs='+', help='set < 0 to use CPU') parser.add_argument('--patch_radius', type=float, default=0.05, help='Neighborhood of points that is queried with the network. ' 'This enables you to set the trade-off between computation time and tolerance for ' 'sparsely sampled surfaces. Use r <= 0.0 for k-NN queries.') # training parameters parser.add_argument('--net_size', type=int, default=1024, help='number of neurons in the largest fully connected layer') parser.add_argument('--nepoch', type=int, default=2, help='number of epochs to train for') parser.add_argument('--batchSize', type=int, default=2, help='input batch size') parser.add_argument('--patch_center', type=str, default='point', help='center patch at...\n' 'point: center point\n' 'mean: patch mean') parser.add_argument('--patch_point_count_std', type=float, default=0, help='standard deviation of the number of points in a patch') parser.add_argument('--patches_per_shape', type=int, default=1000, help='number of patches sampled from each shape in an epoch') parser.add_argument('--sub_sample_size', type=int, default=500, help='number of points of the point cloud that are trained with each patch') parser.add_argument('--workers', type=int, default=8, help='number of data loading workers - 0 means same thread as main execution') parser.add_argument('--cache_capacity', type=int, default=100, help='Max. number of dataset elements (usually shapes) to hold in the cache at the same time.') parser.add_argument('--seed', type=int, default=3627473, help='manual seed') parser.add_argument('--single_transformer', type=int, default=0, help='0: two transformers for the global and local information, \n' 'rotate local points with matrix trained from global points\n' '1: single transformer for both local and global points') parser.add_argument('--uniform_subsample', type=int, default=0, help='1: global sub-sample uniformly sampled from the point cloud\n' '0: distance-depending probability for global sub-sample') parser.add_argument('--fixed_subsample', type=int, default=0, help='1: use the same fixed sub-sample for all patches\n' '0: use a different random sub-sample for each patch') parser.add_argument('--shared_transformer', type=int, default=0, help='use a single shared QSTN that takes both the local and global point sets as input') parser.add_argument('--training_order', type=str, default='random', help='order in which the training patches are presented:\n' 'random: fully random over the entire dataset (the set of all patches is permuted)\n' 'random_shape_consecutive: random over the entire dataset, but patches of a shape \n' 'remain consecutive (shapes and patches inside a shape are permuted)') parser.add_argument('--identical_epochs', type=int, default=False, help='use same patches in each epoch, mainly for debugging') parser.add_argument('--lr', type=float, default=0.001, help='learning rate') parser.add_argument('--scheduler_steps', type=int, nargs='+', default=[75, 125], help='the lr will be multiplicated with 0.1 at these epochs') parser.add_argument('--momentum', type=float, default=0.9, help='gradient descent momentum') parser.add_argument('--normal_loss', type=str, default='ms_euclidean', help='Normal loss type:\n' 'ms_euclidean: mean square euclidean distance\n' 'ms_oneminuscos: mean square 1-cos(angle error)') # model hyperparameters parser.add_argument('--outputs', type=str, nargs='+', default=['imp_surf', 'imp_surf_magnitude', 'imp_surf_sign', 'patch_pts_ids', 'p_index'], help='outputs of the network, a list with elements of:\n' 'unoriented_normals: unoriented (flip-invariant) point normals\n' 'oriented_normals: oriented point normals\n' 'p_index: output debug info to validate the model\n' 'imp_surf: distance from query point to patch\n' 'imp_surf_magnitude: magnitude for distance from query point to patch\n' 'imp_surf_sign: sign for distance from query point to patch\n' 'patch_pts_ids: ids for all points in a patch') parser.add_argument('--use_point_stn', type=int, default=True, help='use point spatial transformer') parser.add_argument('--use_feat_stn', type=int, default=True, help='use feature spatial transformer') parser.add_argument('--sym_op', type=str, default='max', help='symmetry operation') parser.add_argument('--points_per_patch', type=int, default=50, help='max. number of points per patch') parser.add_argument('--debug', type=int, default=0, help='set to 1 of you want debug outputs to validate the model') return parser.parse_args(args=args) def do_logging(writer, log_prefix, epoch, opt, loss, batchind, fraction_done, num_batch, train, output_names, metrics_dict: dict): current_step = (epoch + fraction_done) * num_batch * opt.batchSize loss_cpu = [l.detach().cpu().item() for l in loss] loss_sum = sum(loss_cpu) writer.add_scalar('loss/{}/total'.format('train' if train else 'eval'), loss_sum, current_step) if len(loss_cpu) > 1: for wi, w in enumerate(loss_cpu): writer.add_scalar('loss/{}/comp_{}'.format('train' if train else 'eval', output_names[wi]), w, current_step) keys_to_log = {'abs_dist_rms', 'accuracy', 'precision', 'recall', 'f1_score'} for key in metrics_dict.keys(): if key in keys_to_log and isinstance(metrics_dict[key], numbers.Number): value = metrics_dict[key] if math.isnan(value): value = 0.0 writer.add_scalar('metrics/{}/{}'.format('train' if train else 'eval', key), value, current_step) if batchind % opt.debug_interval == 0: state_string = \ '[{name} {epoch}: {batch}/{n_batches}] {prefix} loss: {loss:+.2f}, rmse: {rmse:+.2f}, f1: {f1:+.2f}'.format( name=opt.name, epoch=epoch, batch=batchind, n_batches=num_batch - 1, prefix=log_prefix, loss=loss_sum, rmse=metrics_dict['abs_dist_rms'], f1=metrics_dict['f1_score']) print(state_string) def points_to_surf_train(opt): devices = [torch.device('cpu' if gi < 0 else f'cuda:{gi}') for gi in opt.gpu_idx] print(f'Training on {len(devices)} devices:') for device in devices: print(f' {str(device)}') # colored console output, works e.g. on Ubuntu (WSL) green = lambda x: '\033[92m' + x + '\033[0m' blue = lambda x: '\033[94m' + x + '\033[0m' log_dirname = os.path.join(opt.logdir, opt.name) params_filename = os.path.join(opt.outdir, '%s_params.pth' % opt.name) model_filename = os.path.join(opt.outdir, '%s_model.pth' % opt.name) desc_filename = os.path.join(opt.outdir, '%s_description.txt' % opt.name) if os.path.exists(log_dirname) or os.path.exists(model_filename): if opt.name != 'test': response = input('A training run named "{}" already exists, overwrite? (y/n) '.format(opt.name)) if response == 'y': del_log = True else: return else: del_log = True if del_log: if os.path.exists(log_dirname): try: shutil.rmtree(log_dirname) except OSError: print("Can't delete " + log_dirname) # get indices in targets and predictions corresponding to each output target_features = [] output_target_ind = [] output_pred_ind = [] output_names = [] output_loss_weights = dict() pred_dim = 0 for o in opt.outputs: if o == 'imp_surf': if o not in target_features: target_features.append(o) output_names.append(o) output_target_ind.append(target_features.index(o)) output_pred_ind.append(pred_dim) output_loss_weights[o] = 1.0 pred_dim += 1 elif o == 'imp_surf_magnitude': if o not in target_features: target_features.append(o) output_names.append(o) output_target_ind.append(target_features.index(o)) output_pred_ind.append(pred_dim) output_loss_weights[o] = 1.0 # try higher weight here pred_dim += 1 elif o == 'imp_surf_sign': if o not in target_features: target_features.append(o) output_names.append(o) output_target_ind.append(target_features.index(o)) output_pred_ind.append(pred_dim) output_loss_weights[o] = 1.0 pred_dim += 1 elif o == 'p_index': if o not in target_features: target_features.append(o) output_target_ind.append(target_features.index(o)) elif o == 'patch_pts_ids': if o not in target_features: target_features.append(o) output_target_ind.append(target_features.index(o)) else: raise ValueError('Unknown output: %s' % o) if pred_dim <= 0: raise ValueError('Prediction is empty for the given outputs.') # create model use_query_point = any([f in opt.outputs for f in ['imp_surf', 'imp_surf_magnitude', 'imp_surf_sign']]) p2s_model = PointsToSurfModel( net_size_max=opt.net_size, num_points=opt.points_per_patch, output_dim=pred_dim, use_point_stn=opt.use_point_stn, use_feat_stn=opt.use_feat_stn, sym_op=opt.sym_op, use_query_point=use_query_point, sub_sample_size=opt.sub_sample_size, do_augmentation=True, single_transformer=opt.single_transformer, shared_transformation=opt.shared_transformer, ) start_epoch = 0 if opt.refine != '': print(f'Refining weights from {opt.refine}') p2s_model.cuda(device=devices[0]) # same order as in training p2s_model = torch.nn.DataParallel(p2s_model, device_ids=devices) p2s_model.load_state_dict(torch.load(opt.refine)) try: # expecting a file name like 'vanilla_model_50.pth' model_file = str(opt.refine) last_underscore_pos = model_file.rfind('_') last_dot_pos = model_file.rfind('.') start_epoch = int(model_file[last_underscore_pos+1:last_dot_pos]) + 1 print(f'Continuing training from epoch {start_epoch}') except: print(f'Warning: {opt.refine} has no epoch in the name. The Tensorboard log will continue at ' f'epoch 0 and might be messed up!') if opt.seed < 0: opt.seed = random.randint(1, 10000) print("Random Seed: %d" % opt.seed) random.seed(opt.seed) torch.manual_seed(opt.seed) # create train and test dataset loaders train_dataset = data_loader.PointcloudPatchDataset( root=opt.indir, shape_list_filename=opt.trainset, points_per_patch=opt.points_per_patch, patch_features=target_features, point_count_std=opt.patch_point_count_std, seed=opt.seed, identical_epochs=opt.identical_epochs, center=opt.patch_center, cache_capacity=opt.cache_capacity, pre_processed_patches=True, sub_sample_size=opt.sub_sample_size, num_workers=int(opt.workers), patch_radius=opt.patch_radius, epsilon=-1, # not necessary for training uniform_subsample=opt.uniform_subsample, fixed_subsample=opt.fixed_subsample, ) if opt.training_order == 'random': train_datasampler = data_loader.RandomPointcloudPatchSampler( train_dataset, patches_per_shape=opt.patches_per_shape, seed=opt.seed, identical_epochs=opt.identical_epochs) elif opt.training_order == 'random_shape_consecutive': train_datasampler = data_loader.SequentialShapeRandomPointcloudPatchSampler( train_dataset, patches_per_shape=opt.patches_per_shape, seed=opt.seed, identical_epochs=opt.identical_epochs) else: raise ValueError('Unknown training order: %s' % opt.training_order) def seed_train_worker(worker_id): worker_seed = torch.initial_seed() % 2**32 # initial_seed returns a different seed for each worker and each epoch (as a long, so it needs to be cast to an int) np.random.seed(worker_seed) random.seed(worker_seed) train_dataset.rng.seed(worker_seed) train_dataset.rng_global_sample.seed(worker_seed) train_dataloader = torch.utils.data.DataLoader( train_dataset, sampler=train_datasampler, batch_size=opt.batchSize, num_workers=int(opt.workers), worker_init_fn=seed_train_worker) test_dataset = data_loader.PointcloudPatchDataset( root=opt.indir, shape_list_filename=opt.testset, points_per_patch=opt.points_per_patch, patch_features=target_features, point_count_std=opt.patch_point_count_std, seed=opt.seed, identical_epochs=opt.identical_epochs, center=opt.patch_center, cache_capacity=opt.cache_capacity, pre_processed_patches=True, sub_sample_size=opt.sub_sample_size, patch_radius=opt.patch_radius, num_workers=int(opt.workers), epsilon=-1, # not necessary for training uniform_subsample=opt.uniform_subsample, fixed_subsample=opt.fixed_subsample, ) if opt.training_order == 'random': test_datasampler = data_loader.RandomPointcloudPatchSampler( test_dataset, patches_per_shape=opt.patches_per_shape, seed=opt.seed, identical_epochs=opt.identical_epochs) elif opt.training_order == 'random_shape_consecutive': test_datasampler = data_loader.SequentialShapeRandomPointcloudPatchSampler( test_dataset, patches_per_shape=opt.patches_per_shape, seed=opt.seed, identical_epochs=opt.identical_epochs) else: raise ValueError('Unknown training order: %s' % opt.training_order) def seed_test_worker(worker_id): worker_seed = torch.initial_seed() % 2**32 # initial_seed returns a different seed for each worker and each epoch (as a long, so it needs to be cast to an int) np.random.seed(worker_seed) random.seed(worker_seed) test_dataset.rng.seed(worker_seed) test_dataset.rng_global_sample.seed(worker_seed) test_dataloader = torch.utils.data.DataLoader( test_dataset, sampler=test_datasampler, batch_size=opt.batchSize, num_workers=int(opt.workers), worker_init_fn=seed_test_worker) # keep the exact training shape names for later reference opt.train_shapes = train_dataset.shape_names opt.test_shapes = test_dataset.shape_names print('Training set: {} patches (in {} batches) | Test set: {} patches (in {} batches)'.format( len(train_datasampler), len(train_dataloader), len(test_datasampler), len(test_dataloader))) try: os.makedirs(opt.outdir) except OSError: pass train_fraction_done = 0.0 log_writer = SummaryWriter(log_dirname, comment=opt.name) log_writer.add_scalar('LR', opt.lr, 0) # milestones in number of optimizer iterations optimizer = optim.SGD(p2s_model.parameters(), lr=opt.lr, momentum=opt.momentum) # SGD changes lr depending on training progress # scheduler = lr_scheduler.MultiStepLR(optimizer, milestones=[], gamma=0.1) # constant lr scheduler = lr_scheduler.MultiStepLR(optimizer, milestones=opt.scheduler_steps, gamma=0.1) if opt.refine == '': p2s_model.cuda(device=devices[0]) p2s_model = torch.nn.DataParallel(p2s_model, device_ids=devices) train_num_batch = len(train_dataloader) test_num_batch = len(test_dataloader) # save parameters torch.save(opt, params_filename) # save description with open(desc_filename, 'w+') as text_file: print(opt.desc, file=text_file) for epoch in range(start_epoch, opt.nepoch, 1): train_enum = enumerate(train_dataloader, 0) test_batchind = -1 test_fraction_done = 0.0 test_enum = enumerate(test_dataloader, 0) for train_batchind, batch_data_train in train_enum: # batch data to GPU for key in batch_data_train.keys(): batch_data_train[key] = batch_data_train[key].cuda(device=devices[0], non_blocking=True) # set to training mode p2s_model.train() # zero gradients optimizer.zero_grad() pred_train = p2s_model(batch_data_train) loss_train = compute_loss( pred=pred_train, batch_data=batch_data_train, outputs=opt.outputs, output_loss_weights=output_loss_weights, fixed_radius=opt.patch_radius > 0.0 ) loss_total = sum(loss_train) # back-propagate through entire network to compute gradients of loss w.r.t. parameters loss_total.backward() # parameter optimization step optimizer.step() train_fraction_done = (train_batchind+1) / train_num_batch if debug: from source import evaluation evaluation.visualize_patch( patch_pts_ps=batch_data_train['patch_pts_ps'][0].cpu(), query_point_ps=batch_data_train['imp_surf_query_point_ps'][0].cpu(), pts_sub_sample_ms=batch_data_train['pts_sub_sample_ms'][0].cpu(), query_point_ms=batch_data_train['imp_surf_query_point_ms'][0].cpu(), file_path='debug/patch_train.off') metrics_dict = calc_metrics(outputs=opt.outputs, pred=pred_train, gt_data=batch_data_train) do_logging(writer=log_writer, log_prefix=green('train'), epoch=epoch, opt=opt, loss=loss_train, batchind=train_batchind, fraction_done=train_fraction_done, num_batch=train_num_batch, train=True, output_names=output_names, metrics_dict=metrics_dict) while test_fraction_done <= train_fraction_done and test_batchind + 1 < test_num_batch: # set to evaluation mode, no auto-diff p2s_model.eval() test_batchind, batch_data_test = next(test_enum) # batch data to GPU for key in batch_data_test.keys(): batch_data_test[key] = batch_data_test[key].cuda(device=devices[0], non_blocking=True) # forward pass with torch.no_grad(): pred_test = p2s_model(batch_data_test) loss_test = compute_loss( pred=pred_test, batch_data=batch_data_test, outputs=opt.outputs, output_loss_weights=output_loss_weights, fixed_radius=opt.patch_radius > 0.0 ) metrics_dict = calc_metrics(outputs=opt.outputs, pred=pred_test, gt_data=batch_data_test) test_fraction_done = (test_batchind+1) / test_num_batch do_logging(writer=log_writer, log_prefix=blue('test'), epoch=epoch, opt=opt, loss=loss_test, batchind=test_batchind, fraction_done=test_fraction_done, num_batch=train_num_batch, train=False, output_names=output_names, metrics_dict=metrics_dict) # end of epoch save model, overwriting the old model if epoch % opt.save_interval == 0 or epoch == opt.nepoch-1: torch.save(p2s_model.state_dict(), model_filename) # save model in a separate file in epochs 0,5,10,50,100,500,1000, ... if epoch % (5 * 10**math.floor(math.log10(max(2, epoch-1)))) == 0 or epoch % 100 == 0 or epoch == opt.nepoch-1: torch.save(p2s_model.state_dict(), os.path.join(opt.outdir, '%s_model_%d.pth' % (opt.name, epoch))) # update and log lr lr_before_update = scheduler.get_last_lr() if isinstance(lr_before_update, list): lr_before_update = lr_before_update[0] scheduler.step() lr_after_update = scheduler.get_last_lr() if isinstance(lr_after_update, list): lr_after_update = lr_after_update[0] if lr_before_update != lr_after_update: print('LR changed from {} to {} in epoch {}'.format(lr_before_update, lr_after_update, epoch)) current_step = (epoch + 1) * train_num_batch * opt.batchSize - 1 log_writer.add_scalar('LR', lr_after_update, current_step) log_writer.flush() log_writer.close() def compute_loss(pred, batch_data, outputs, output_loss_weights, fixed_radius): loss = [] if 'imp_surf' in outputs: o_pred = pred.squeeze() o_target = batch_data['imp_surf_ms'].squeeze() if not fixed_radius: o_patch_radius = batch_data['patch_radius_ms'] o_target /= o_patch_radius loss.append(sdf_nn.calc_loss_distance(pred=o_pred, target=o_target) * output_loss_weights['imp_surf']) if 'imp_surf_magnitude' in outputs and 'imp_surf_sign' in outputs: o_pred = pred[:, 0].squeeze() o_target = batch_data['imp_surf_magnitude_ms'].squeeze() if not fixed_radius: o_patch_radius = batch_data['patch_radius_ms'] o_target /= o_patch_radius loss.append(sdf_nn.calc_loss_magnitude(pred=o_pred, target=o_target) * output_loss_weights['imp_surf_magnitude']) o_pred = pred[:, 1].squeeze() o_target = batch_data['imp_surf_dist_sign_ms'].squeeze() loss.append(sdf_nn.calc_loss_sign(pred=o_pred, target=o_target) * output_loss_weights['imp_surf_sign']) return loss def calc_metrics(outputs, pred, gt_data): def compute_rmse_abs_dist(pred, gt): abs_dist = sdf_nn.post_process_magnitude(pred) rmse = torch.sqrt(torch.mean((abs_dist.abs() - gt.squeeze().abs()) ** 2)) return rmse.detach().cpu().item() def compare_classification(pred, gt): inside_class = sdf_nn.post_process_sign(pred) eval_dict = evaluation.compare_predictions_binary_tensors( ground_truth=gt.squeeze(), predicted=inside_class, prediction_name='training_metrics') return eval_dict if 'imp_surf_magnitude' in outputs and 'imp_surf_sign' in outputs: abs_dist_rms = compute_rmse_abs_dist(pred=pred[:, 0].squeeze(), gt=gt_data['imp_surf_magnitude_ms']) eval_dict = compare_classification(pred=pred[:, 1].squeeze(), gt=gt_data['imp_surf_dist_sign_ms']) eval_dict['abs_dist_rms'] = abs_dist_rms return eval_dict elif 'imp_surf' in outputs: abs_dist_rms = compute_rmse_abs_dist(pred=pred.squeeze(), gt=gt_data['imp_surf_ms']) pred_class = pred.squeeze() pred_class[pred_class < 0.0] = -1.0 pred_class[pred_class >= 0.0] = 1.0 eval_dict = compare_classification(pred=pred_class, gt=gt_data['imp_surf_dist_sign_ms']) eval_dict['abs_dist_rms'] = abs_dist_rms return eval_dict else: return {} if __name__ == '__main__': train_opt = parse_arguments() points_to_surf_train(train_opt)
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#!/Users/james/miniconda3/envs/selva_tf/bin/python import os,sys import numpy as np import cooler def getBins(coolfile): binsInfo = {} chroms = coolfile.chroms()["name"][:] print("DEBUG: \n",chroms) print("DEBUG coolfile.bins.keys():\n",coolfile.bins().keys()) print("DEBUG coolfile.bins()[chrom]:\n",coolfile.bins()["chrom"][:]) print("DEBUG ====================") for chrom in chroms: idxarray = np.where(coolfile.bins()["chrom"][:] == chrom) chromstart = idxarray[0][0] chromend = idxarray[0][-1] binsInfo[chrom] = [chromstart,chromend] #print chrom, (chromend - chromstart + 1) return binsInfo def dumpMatrix(resolution,coolfile,binsInfo,chrom1,chrom2,outdir,name): chrom1start,chrom1end = binsInfo[chrom1] chrom2start,chrom2end = binsInfo[chrom2] matrixName = '_'.join([name, str(resolution)+'kb',chrom1,chrom2,"InterMap_matrix.txt"]) matrixfile = os.path.join(outdir,matrixName) matrix = coolfile.matrix(balance=True)[chrom1start:(chrom1end + 1), chrom2start:(chrom2end + 1)] np.savetxt(matrixfile,matrix,fmt='%.5f',delimiter='\t') return matrixfile def coolToMatrix(matrixFile,resolution,outdir,name): MatrixInfo = {} coolfile = cooler.Cooler(matrixFile) binsInfo = getBins(coolfile) rankedChroms = ["chr1", "chr2", "chr3", "chr4", "chr5", "chr6", "chr7", "chr8", "chr9", "chr10", "chr11", "chr12", "chr13", "chr14", "chr15", "chr16", "chr17", "chr18", "chr19", "chr20", "chr21", "chr22", "chrX", "chrY"] outdir = os.path.join(outdir,"InterMap_matrix") if not os.path.isdir(outdir): os.mkdir(outdir) for i in range(0,len(rankedChroms)-2): for j in range((i+1), len(rankedChroms)-1): chrom1 = rankedChroms[i] chrom2 = rankedChroms[j] #print chrom1,chrom2 matrixfile = dumpMatrix(resolution,coolfile,binsInfo,chrom1,chrom2,outdir,name) MatrixInfo[chrom1+'_'+chrom2] = matrixfile return MatrixInfo matrixFile = "/Users/james/src/sandbox/cooler/MB286.mcool::/resolutions/1024000" #matrixFile = "/Users/james/projects/jdurbin_notebooks/james/MB286/MB286.mcool::/resolutions/1024000" coolfile = cooler.Cooler(matrixFile) binsInfo = getBins(coolfile) print(binsInfo) #[chrom1start:(chrom1end + 1), chrom2start:(chrom2end + 1)] ## matrix1MbInfo = coolToMatrix(matrixfile1Mb,1000,opts.outdir,opts.name) ## matrix100kbInfo = coolToMatrix(matrixfile100kb,100,opts.outdir,opts.name)
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from kaggle_environments.envs.hungry_geese.hungry_geese import Observation, Configuration, Action, row_col from kaggle_environments import evaluate, make, utils import numpy as np actions = np.array(["EAST", "SOUTH", "NORTH", "WEST"]) opp_actions = {'EAST': 'WEST', 'WEST': 'EAST', 'NORTH':'SOUTH', 'SOUTH':'NORTH'} # Creates a class for an agent so we can keep track of the last action class RandomAgent: def __init__(self, configuration: Configuration): self.configuration = configuration self.last_action = None def __call__(self, observation: Observation): action = np.random.choice(actions) while action == opp_actions.get(self.last_action, ""): action = np.random.choice(actions) self.last_action = action return action cached_agents = {} def agent(obs, config): index = obs["index"] if index not in cached_agents : cached_agents[index] = RandomAgent(Configuration(config)) return cached_agents[index](Observation(obs))
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import os import scipy.misc import numpy as np from model import DCGAN from utils import pp, visualize, to_json, show_all_variables, generate_random_images, encode, generate_image_from_seed, generate_walk_in_latent_space, generate_continuous_random_interps, generate_continuous_interps_from_json, generate_single_value_changes, generate_sin_cycle, generate_sin_cycle_all_100 import tensorflow as tf flags = tf.app.flags flags.DEFINE_integer("epoch", 25, "Epoch to train [25]") flags.DEFINE_float("learning_rate", 0.0002, "Learning rate of for adam [0.0002]") flags.DEFINE_float("beta1", 0.5, "Momentum term of adam [0.5]") flags.DEFINE_float("train_size", np.inf, "The size of train images [np.inf]") flags.DEFINE_integer("batch_size", 64, "The size of batch images [64]") flags.DEFINE_integer("input_height", 108, "The size of image to use (will be center cropped). [108]") flags.DEFINE_integer("input_width", None, "The size of image to use (will be center cropped). If None, same value as input_height [None]") flags.DEFINE_integer("output_height", 64, "The size of the output images to produce [64]") flags.DEFINE_integer("output_width", None, "The size of the output images to produce. If None, same value as output_height [None]") flags.DEFINE_string("dataset", "celebA", "The name of dataset [celebA, mnist, lsun]") flags.DEFINE_string("input_fname_pattern", "*.jpg", "Glob pattern of filename of input images [*]") flags.DEFINE_string("checkpoint_dir", "checkpoint", "Directory name to save the checkpoints [checkpoint]") flags.DEFINE_string("data_dir", "./data", "Root directory of dataset [data]") flags.DEFINE_string("sample_dir", "samples", "Directory name to save the image samples [samples]") flags.DEFINE_boolean("train", False, "True for training, False for testing [False]") flags.DEFINE_boolean("crop", False, "True for training, False for testing [False]") flags.DEFINE_boolean("visualize", False, "True for visualizing, False for nothing [False]") flags.DEFINE_integer("generate_test_images", 100, "Number of images to generate during test. [100]") # MEEE custom flags flags.DEFINE_string("input_seed_path", None, "Path to the json file to be inputted to generator.") flags.DEFINE_integer("walk_rand_seed", None, "Seed for PRNG to be inputted (to recreate previous film)") flags.DEFINE_integer("walk_num", 2700, "Number of frames of walk in latent space.") flags.DEFINE_float("max_jump_step", 0.03, "Maximum value for one step in jump in latent space (mode 16)") flags.DEFINE_float("min_jump_step", None, "Minimum value for one step in jump in latent space (mode 16)") flags.DEFINE_integer("generation_mode", 1, "Generation mode used in testing. Please refer to README.txt") flags.DEFINE_string("checkpoint_name", None, "Name of the checkpoint file to load from e.g. DCGAN.model-183502") flags.DEFINE_string("interp_json", None, "Path to json file which contains the info needed to generate mode 10.") flags.DEFINE_string("sin_cycle_json", None, "Path to json file which contains the info needed to generate mode 14.") FLAGS = flags.FLAGS def main(_): pp.pprint(flags.FLAGS.__flags) if FLAGS.input_width is None: FLAGS.input_width = FLAGS.input_height if FLAGS.output_width is None: FLAGS.output_width = FLAGS.output_height if not os.path.exists(FLAGS.checkpoint_dir): os.makedirs(FLAGS.checkpoint_dir) if not os.path.exists(FLAGS.sample_dir): os.makedirs(FLAGS.sample_dir) #gpu_options = tf.GPUOptions(per_process_gpu_memory_fraction=0.333) run_config = tf.ConfigProto() run_config.gpu_options.allow_growth=True with tf.Session(config=run_config) as sess: if FLAGS.dataset == 'mnist': dcgan = DCGAN( sess, input_width=FLAGS.input_width, input_height=FLAGS.input_height, output_width=FLAGS.output_width, output_height=FLAGS.output_height, batch_size=FLAGS.batch_size, sample_num=FLAGS.batch_size, y_dim=10, z_dim=FLAGS.generate_test_images, dataset_name=FLAGS.dataset, input_fname_pattern=FLAGS.input_fname_pattern, crop=FLAGS.crop, checkpoint_dir=FLAGS.checkpoint_dir, sample_dir=FLAGS.sample_dir, data_dir=FLAGS.data_dir) else: dcgan = DCGAN( sess, input_width=FLAGS.input_width, input_height=FLAGS.input_height, output_width=FLAGS.output_width, output_height=FLAGS.output_height, batch_size=FLAGS.batch_size, sample_num=FLAGS.batch_size, z_dim=FLAGS.generate_test_images, dataset_name=FLAGS.dataset, input_fname_pattern=FLAGS.input_fname_pattern, crop=FLAGS.crop, checkpoint_dir=FLAGS.checkpoint_dir, sample_dir=FLAGS.sample_dir, data_dir=FLAGS.data_dir, # MEEE ATOM options checkpoint_name=FLAGS.checkpoint_name) show_all_variables() if FLAGS.train: dcgan.train(FLAGS) else: if not dcgan.load(FLAGS.checkpoint_dir)[0]: raise Exception("[!] Train a model first, then run test mode") mode = FLAGS.generation_mode if mode == 1: # Generate 300 random images and their seed value json files generate_random_images(sess, dcgan, FLAGS, 2000) elif mode == 2: # Generate 1.5 min random num of frames per interpolation. With cut: A - B | C - D generate_continuous_random_interps(sess, dcgan, FLAGS, 2700, True, True) elif mode == 3: # Generate 1.5 min 32 frames per interpolation. With cut: A - B | C - D generate_continuous_random_interps(sess, dcgan, FLAGS, 2700, True, False) elif mode == 4: # Generate 1.5 min random num of frames per interpolation. With cut: A - B - C generate_continuous_random_interps(sess, dcgan, FLAGS, 2700, False, True) elif mode == 5: # Generate 1.5 min 32 frames per interpolation. With cut: A - B - C generate_continuous_random_interps(sess, dcgan, FLAGS, 2700, False, False) # NOTE: for walk in latent space, it is required to pass in --input_seed_path <filename>.json elif mode == 6: # Walk in latent space, velocity/acceleration with clamp mode generate_walk_in_latent_space(sess, dcgan, FLAGS, 6) elif mode == 7: # Walk in latent space, velocity/acceleration with wrap mode generate_walk_in_latent_space(sess, dcgan, FLAGS, 7) elif mode == 8: # Walk in latent space, default mode (not velocity/acceleration) generate_walk_in_latent_space(sess, dcgan, FLAGS, 8) elif mode == 9: # Walk in latent space, velocity/acceleration with reverse mode generate_walk_in_latent_space(sess, dcgan, FLAGS, 9) elif mode == 10: # Generate continuous interpretation from a json file generate_continuous_interps_from_json(sess, dcgan, FLAGS) elif mode == 11: # Walk in latent space, velocity/acceleration wrap mode, only update 50 out of 100 values generate_walk_in_latent_space(sess, dcgan, FLAGS, 11) elif mode == 12: # 10th to 100000th digit change for 1st number of seed generate_single_value_changes(sess, dcgan, FLAGS, 2) elif mode == 13: # Sinusoidal cycling of first value, 2 cycles, 10 seconds per cycle generate_sin_cycle(sess, dcgan, FLAGS, 2, 10, 13) elif mode == 14: # Sinusoidal cycling of values specified by json (--sin_cycle_json) generate_sin_cycle(sess, dcgan, FLAGS, 1, 1, 14) elif mode == 15: # Sinusoidal cycling through all 100 numbers, 6s percycle generate_sin_cycle_all_100(sess, dcgan, FLAGS) elif mode == 16: # Jump in latent space, velocity/acceleration with wrap mode generate_walk_in_latent_space(sess, dcgan, FLAGS, 16) # Generate # generate_image_from_seed(sess, dcgan, FLAGS) # encode(sess, dcgan, FLAGS) # to_json("./web/js/layers.js", [dcgan.h0_w, dcgan.h0_b, dcgan.g_bn0], # [dcgan.h1_w, dcgan.h1_b, dcgan.g_bn1], # [dcgan.h2_w, dcgan.h2_b, dcgan.g_bn2], # [dcgan.h3_w, dcgan.h3_b, dcgan.g_bn3], # [dcgan.h4_w, dcgan.h4_b, None]) # Below is codes for visualization # OPTION = 0 OPTION = 1 # visualize(sess, dcgan, FLAGS, OPTION) if __name__ == '__main__': tf.app.run()
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import tensorflow as tf import tensorflow.contrib.slim as slim import numpy as np import math import sys from generator_network import * from discriminator_network import * from common import * def gen_image_processing(gan_out): # Scale image values from [-1, 1] to [0, 1] (TanH -> TF float32 image ranges) img_f32 = (gan_out + 1.0) / 2.0 img_8u = tf.image.convert_image_dtype(img_f32, tf.uint8, saturate=True) return img_8u def waifunet_parameters(parser): group = parser.add_argument_group('General WaifuNet Parameters') group.add_argument('--wasserstein', action='store_true', help='If set, use est. Wasserstein distance for loss instead of standard GAN losses') group.add_argument('--z-size', type=int, default=256, help='Dimensionality of Z (noise) vectors') group.add_argument('--label-size', type=int, default=1000, help='Dimensionality of Y (tag) vectors') group.add_argument('--output-height', type=int, default=1024, help='Height of output images') group.add_argument('--output-width', type=int, default=1024, help='Width of output images') # Alternately: 5e-5 for Wasserstein GANs group.add_argument('--learning-rate', type=float, default=2e-4, help='Learning rate for generator and discriminator networks') group.add_argument('--beta1', type=float, default=0.5, help='Beta1 parameter for Adam optimizers (for both generator and discriminator)') group.add_argument('--n-gpus', type=int, default=1, help='Number of GPUs to use for training.') class waifunet(object): # Builds the model. # Options: # 'z_size' [default 256]: Length / dimensionality of Z vector # 'label_size' [default 1000]: Length / dimensionality of Y vector # 'output_width', 'output_height' [default 1024 for both]: Dimension of generator output # 'learning_rate' [recommended value 2e-4]: Learning rate for Adam / RMSProp optimization # 'beta1' [recommended value 0.5]: Beta1 parameter for Adam optimization # # Input tensor parameters: # 'noise_in', 'labels_in': Generator network inputs (noise vectors and tags) # 'sample_images_in, sample_labels_in': Discriminator sample inputs # 'dsc_labels_in': Correct / incorrect labels for discriminator inputs (Fully-correct vs. mismatched tags and images) def __init__(self, args, noise_in, labels_in, sample_batch, mismatched_batch): #labels_in, sample_images_in, sample_labels_in, dsc_labels_in): self.args = args self.noise = noise_in self.labels = labels_in self.samples = sample_batch self.mismatched = mismatched_batch self.optimizer = tf.train.RMSPropOptimizer(learning_rate=args.learning_rate) def gen_training_step(self, sess, summaries=False, trace=False): if trace: run_meta = tf.RunMetadata() run_opts = tf.RunOptions(trace_level=tf.RunOptions.FULL_TRACE) else: run_meta = None run_opts = None if summaries: _, gen_summary = sess.run([self.gen_train, self.gen_summaries], options=run_opts, run_metadata=run_meta) else: gen_summary = None sess.run(self.gen_train, options=run_opts, run_metadata=run_meta) return gen_summary, run_meta def dsc_training_step(self, sess, summaries=False, trace=False): if trace: run_meta = tf.RunMetadata() run_opts = tf.RunOptions(trace_level=tf.RunOptions.FULL_TRACE) else: run_meta = None run_opts = None if summaries: _, dsc_summary = sess.run([self.dsc_train, self.dsc_summaries], options=run_opts, run_metadata=run_meta) else: dsc_summary = None sess.run(self.dsc_train, options=run_opts, run_metadata=run_meta) return dsc_summary, run_meta # Network outputs: # self.dsc_train: Performs a single discriminator network training step when evaluated. # self.gen_train: Performs a single generator network training steps when evaluated. # self.dsc_summaries: Returns a merged summary tensor for a discriminator training step. # self.gen_summaries: Returns a merged summary tensor for a generator training step; includes images. # self.gen_images: Returns the generated images from the generator network (for each tower) def build(self): if self.args.n_gpus <= 1: # Single-tower self.single_tower_gradients() else: self.multi_tower_gradients() self.training_ops() self.summary_ops() def multi_tower_gradients(self): gen_grads = [] dsc_grads = [] gen_losses = [] dsc_losses = [] self.gen_images = [] with tf.variable_scope('WaifuNet'): for i in range(self.args.n_gpus): with tf.device("/gpu:{:d}".format(i)): grads, losses, nets = self.per_tower_ops() tf.get_variable_scope().reuse_variables() gen_grads.append(grads['gen']) dsc_grads.append(grads['dsc']) gen_losses.append(losses['gen']) dsc_losses.append(losses['dsc']) gen_out = gen_image_processing(nets['gen'].out) self.gen_images.append(gen_out) # Now average gradients across all towers: self.gen_grads = self.average_gradients(gen_grads) self.dsc_grads = self.average_gradients(dsc_grads) # And average losses across all towers self.gen_loss = tf.reduce_mean(gen_losses) self.dsc_loss = tf.reduce_mean(dsc_loss) def single_tower_gradients(self): with tf.variable_scope('WaifuNet'): grads, losses, nets = self.per_tower_ops() self.gen_grads = grads['gen'] self.dsc_grads = grads['dsc'] self.gen_loss = losses['gen'] self.dsc_loss = losses['dsc'] gen_out = gen_image_processing(nets['gen'].out) self.gen_images = [gen_out] def training_ops(self): global_step = tf.contrib.framework.get_or_create_global_step() gen_update_ops = tf.get_collection(tf.GraphKeys.UPDATE_OPS, scope='WaifuNet/Generator') dsc_update_ops = tf.get_collection(tf.GraphKeys.UPDATE_OPS, scope='WaifuNet/Discriminator') with tf.control_dependencies(gen_update_ops): self.gen_train = self.optimizer.apply_gradients(self.gen_grads, global_step=global_step) with tf.control_dependencies(dsc_update_ops): self.dsc_train = self.optimizer.apply_gradients(self.dsc_grads, global_step=global_step) def summary_ops(self): tf.summary.scalar('Mean Generator Loss', self.gen_loss, collections=['gen-summaries']) tf.summary.histogram('Generator Gradients', self.gen_grads, collections=['gen-summaries']) tf.summary.image('Generator Output', self.gen_images[0], collections=['gen-summaries']) tf.summary.scalar('Mean Discriminator Loss', self.dsc_loss, collections=['dsc-summaries']) tf.summary.histogram('Discriminator Gradients', self.dsc_grads, collections=['dsc-summaries']) self.gen_summaries = tf.summary.merge_all(key='gen-summaries') self.dsc_summaries = tf.summary.merge_all(key='dsc-summaries') def average_gradients(self, tower_grads): average_grads = [] for gv in zip(*tower_grads): grads = [] var = gv[0][1] for grad, _ in gv: grads.append(tf.expand_dims(grad, 0)) avg_grad = tf.concat(grads, axis=0) avg_grad = tf.reduce_mean(grads, axis=0) average_grads.append( (avg_grad, var) ) return average_grads def per_tower_ops(self): gen = Generator(args, self.noise, self.labels) fake_image = gen.build() dsc_fake_net = Discriminator(args, fake_image) dsc_real_net = Discriminator(args, self.samples[0]) dsc_fake, pred_labels_fake = dsc_fake_net.build() dsc_real, pred_labels_real = dsc_real_net.build(reuse=True) if not self.args.wasserstein: gen_loss, dsc_loss = self.standard_gan_loss(dsc_fake, dsc_real, dsc_mismatch) else: gen_loss, dsc_loss = self.wasserstein_gan_loss(dsc_fake, dsc_real) # Labeling losses for generator and discriminator xentropy_fake = tf.nn.sigmoid_cross_entropy_with_logits(labels=self.labels, logits=pred_labels_fake) xentropy_real = tf.nn.sigmoid_cross_entropy_with_logits(labels=self.samples[1], logits=pred_labels_real) gen_loss += xentropy_fake dsc_loss += xentropy_real # For WGANs, add an input-gradient norm term to the loss if self.args.wasserstein: grad_norms_fake = dsc_fake_net.input_gradient_norms() grad_norms_real = dsc_real_net.input_gradient_norms() fake_norm_loss = tf.square(grad_norms_fake - 1) real_norm_loss = tf.square(grad_norms_real - 1) dsc_loss += tf.reduce_mean([fake_norm_loss, real_norm_loss]) gen_grads = self.optimizer.compute_gradients(gen_loss, var_list=gen.vars) dsc_grads = self.optimizer.compute_gradients(dsc_loss, var_list=dsc_fake_net.vars) nets = {'gen': gen, 'dsc_fake': dsc_fake_net, 'dsc_real': dsc_real_net} grads = {'dsc': dsc_loss, 'gen': gen_loss} losses = {'dsc': dsc_loss, 'gen': gen_loss} return grads, losses, nets def wasserstein_gan_loss(self, dsc_fake_out, dsc_real_out): debug_print("[WaifuNet] Creating Wasserstein GAN loss ops...") critic_real_mean = tf.reduce_mean(dsc_real_out) critic_fake_mean = tf.reduce_mean(dsc_fake_out) dsc_loss = critic_real_mean - critic_fake_mean gen_loss = critic_fake_mean return gen_loss, dsc_loss def standard_gan_loss(self, dsc_fake_out, dsc_real_out): debug_print("[WaifuNet] Creating standard GAN loss ops...") # Discriminator outputs probability that sample came from training dataset batch_size = self.dsc_fake_out.shape.as_list()[0] dsc_fake_loss = tf.reduce_mean(tf.nn.sigmoid_cross_entropy_with_logits( logits=dsc_fake_out, labels=tf.random_uniform([self.args.batch_size], minval=0.0, maxval=0.3),#tf.zeros_like(self.dsc_fake_out), name='discriminator-fake-loss' )) dsc_sample_loss = tf.reduce_mean(tf.nn.sigmoid_cross_entropy_with_logits( logits=dsc_real_out, labels=self.samples[2], name='discriminator-sample-loss' )) gen_loss = tf.reduce_mean(tf.nn.sigmoid_cross_entropy_with_logits( logits=dsc_fake_out, labels=tf.random_uniform([self.args.batch_size], minval=0.7, maxval=1.2),#tf.ones_like(self.dsc_fake_out), name='generator-loss' )) dsc_loss = dsc_fake_loss + dsc_sample_loss return gen_loss, dsc_loss
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import numpy as np import tensorflow as tf from keras.models import Sequential from keras.layers import Dense, Conv2D, Dropout, Flatten, MaxPooling2D import matplotlib.pyplot as plt from keras.datasets import mnist from keras.utils import np_utils from keras.utils import to_categorical from keras import backend as K class DigitRecoganiseController: def __init__(self, pool_size, rate, number_neurons_output, epochs): self.pool_size = pool_size # (2, 2) self.rate = rate # 0.2 self.number_neurons_output = number_neurons_output #10 self.epochs = epochs def initialize_cnn(self): model = Sequential() ## Conv2D ## filters: Integer, the dimensionality of the output space (i.e. the number of output filters in the convolution). model.add(Conv2D(32, (5,5), input_shape = (28, 28, 1), activation = 'relu')) model.add(MaxPooling2D(pool_size = self.pool_size)) model.add(Conv2D(16, (3,3), activation = 'relu')) model.add(MaxPooling2D(pool_size = self.pool_size)) model.add(Dropout(self.rate)) model.add(Flatten()) # Flattening the 2D arrays for fully connected layers model.add(Dense(128, activation = 'relu')) model.add(Dense(64, activation = 'relu')) model.add(Dense(self.number_neurons_output, activation = 'softmax')) return model def fit_model(self, model, X_train, y_train, X_test, y_test): model.compile(optimizer='adam', loss='categorical_crossentropy', metrics = ['accuracy']) model.fit(X_train, y_train, validation_data=(X_test, y_test), epochs = self.epochs, batch_size=200) return model def evaluate_model(self, model, x_test, y_test): return model.evaluate(x_test, y_test) def predict(self, model, x_test, y_test, image_index, img_rows, img_cols): plt.imshow(x_test[image_index].reshape(28, 28),cmap='Greys') pred = model.predict(x_test[image_index].reshape(1, img_rows, img_cols, 1)) print(pred.argmax()) if __name__ == "__main__": seed = 7 np.random.seed(seed) (X_train, y_train), (X_test, y_test) = mnist.load_data() X_train = np.expand_dims(X_train, axis=-1) X_test = np.expand_dims(X_test, axis=-1) y_train = to_categorical(y_train) y_test = to_categorical(y_test) # Normalize inputs from 0-255 to 0-1 X_train = X_train / 255 X_test = X_test / 255 number_neurons_output = y_test.shape[1] pool_size = (2, 2) rate = 0.2 epochs = 10 recognizer = DigitRecoganiseController(pool_size, rate, number_neurons_output, epochs) model = recognizer.initialize_cnn() model = recognizer.fit_model(model, X_train, y_train, X_test, y_test) print(recognizer.evaluate_model(model, X_test, y_test)) # serialize model to JSON model_json = model.to_json() with open("model.json", "w") as json_file: json_file.write(model_json) # serialize weights to HDF5 model.save_weights("model.h5") print("Saved model to disk")
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[STATEMENT] lemma generate_valid_stateful_policy_IFSACS_2_noIFS_noACSsideeffects_imp_fullgraph: assumes validReqs: "valid_reqs M" and wfG: "wf_graph G" and high_level_policy_valid: "all_security_requirements_fulfilled M G" and edgesList: "(set edgesList) = edges G" and no_ACS_sideeffects: "\<forall>F \<in> get_offending_flows (get_ACS M) \<lparr>nodes = nodes G, edges = edges G \<union> backflows (edges G)\<rparr>. F \<subseteq> (backflows (edges G)) - (edges G)" and no_IFS: "get_IFS M = []" shows "stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G" [PROOF STATE] proof (prove) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] proof - [PROOF STATE] proof (state) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] from filter_IFS_no_violations_accu_no_IFS[OF valid_reqs_IFS_D[OF validReqs] wfG no_IFS] edgesList [PROOF STATE] proof (chain) picking this: set ?accu \<union> set ?edgesList \<subseteq> edges G \<Longrightarrow> filter_IFS_no_violations_accu G M ?accu ?edgesList = rev ?edgesList @ ?accu set edgesList = edges G [PROOF STEP] have "filter_IFS_no_violations G M edgesList = rev edgesList" [PROOF STATE] proof (prove) using this: set ?accu \<union> set ?edgesList \<subseteq> edges G \<Longrightarrow> filter_IFS_no_violations_accu G M ?accu ?edgesList = rev ?edgesList @ ?accu set edgesList = edges G goal (1 subgoal): 1. filter_IFS_no_violations G M edgesList = rev edgesList [PROOF STEP] by(simp add: filter_IFS_no_violations_def) [PROOF STATE] proof (state) this: filter_IFS_no_violations G M edgesList = rev edgesList goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] from this filter_compliant_stateful_ACS_subseteq_input [PROOF STATE] proof (chain) picking this: filter_IFS_no_violations G M edgesList = rev edgesList set (filter_compliant_stateful_ACS ?G ?M ?Es) \<subseteq> set ?Es [PROOF STEP] have flows_state_IFS: "flows_state (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = set (filter_compliant_stateful_ACS G M edgesList)" [PROOF STATE] proof (prove) using this: filter_IFS_no_violations G M edgesList = rev edgesList set (filter_compliant_stateful_ACS ?G ?M ?Es) \<subseteq> set ?Es goal (1 subgoal): 1. flows_state (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = set (filter_compliant_stateful_ACS G M edgesList) [PROOF STEP] by(auto simp add: generate_valid_stateful_policy_IFSACS_2_def) [PROOF STATE] proof (state) this: flows_state (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = set (filter_compliant_stateful_ACS G M edgesList) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] have flowsfix: "flows_fix (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = edges G" [PROOF STATE] proof (prove) goal (1 subgoal): 1. flows_fix (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = edges G [PROOF STEP] by(simp add: generate_valid_stateful_policy_IFSACS_2_def) [PROOF STATE] proof (state) this: flows_fix (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = edges G goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] have hosts: "hosts (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = nodes G" [PROOF STATE] proof (prove) goal (1 subgoal): 1. hosts (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = nodes G [PROOF STEP] by(simp add: generate_valid_stateful_policy_IFSACS_2_def) [PROOF STATE] proof (state) this: hosts (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = nodes G goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] from filter_compliant_stateful_ACS_accu_no_side_effects[OF valid_reqs_ACS_D[OF validReqs] wfG no_ACS_sideeffects] [PROOF STATE] proof (chain) picking this: \<lbrakk>set ?accu \<union> set ?edgesList \<subseteq> edges G; \<forall>a\<in>set ?accu. a \<notin> backflows (edges G)\<rbrakk> \<Longrightarrow> filter_compliant_stateful_ACS_accu G M ?accu ?edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) ?edgesList) @ ?accu [PROOF STEP] have "filter_compliant_stateful_ACS G M edgesList = rev [e\<leftarrow>edgesList . e \<notin> backflows (edges G)]" [PROOF STATE] proof (prove) using this: \<lbrakk>set ?accu \<union> set ?edgesList \<subseteq> edges G; \<forall>a\<in>set ?accu. a \<notin> backflows (edges G)\<rbrakk> \<Longrightarrow> filter_compliant_stateful_ACS_accu G M ?accu ?edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) ?edgesList) @ ?accu goal (1 subgoal): 1. filter_compliant_stateful_ACS G M edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) edgesList) [PROOF STEP] by(simp add: filter_compliant_stateful_ACS_def edgesList) [PROOF STATE] proof (state) this: filter_compliant_stateful_ACS G M edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) edgesList) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] hence filterACS: "set (filter_compliant_stateful_ACS G M edgesList) = edges G - (backflows (edges G))" [PROOF STATE] proof (prove) using this: filter_compliant_stateful_ACS G M edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) edgesList) goal (1 subgoal): 1. set (filter_compliant_stateful_ACS G M edgesList) = edges G - backflows (edges G) [PROOF STEP] using edgesList [PROOF STATE] proof (prove) using this: filter_compliant_stateful_ACS G M edgesList = rev (filter (\<lambda>e. e \<notin> backflows (edges G)) edgesList) set edgesList = edges G goal (1 subgoal): 1. set (filter_compliant_stateful_ACS G M edgesList) = edges G - backflows (edges G) [PROOF STEP] by force [PROOF STATE] proof (state) this: set (filter_compliant_stateful_ACS G M edgesList) = edges G - backflows (edges G) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] show ?thesis [PROOF STATE] proof (prove) goal (1 subgoal): 1. stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G [PROOF STEP] apply(simp add: undirected_backflows stateful_policy_to_network_graph_def all_flows_def) [PROOF STATE] proof (prove) goal (1 subgoal): 1. hosts (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = nodes G \<and> flows_fix (generate_valid_stateful_policy_IFSACS_2 G M edgesList) \<union> flows_state (generate_valid_stateful_policy_IFSACS_2 G M edgesList) \<union> backflows (flows_state (generate_valid_stateful_policy_IFSACS_2 G M edgesList)) = edges G \<union> backflows (edges G) [PROOF STEP] apply(simp add: hosts filterACS flows_state_IFS flowsfix) [PROOF STATE] proof (prove) goal (1 subgoal): 1. edges G \<union> (edges G - backflows (edges G)) \<union> backflows (edges G - backflows (edges G)) = edges G \<union> backflows (edges G) [PROOF STEP] apply(simp add: backflows_minus_backflows) [PROOF STATE] proof (prove) goal (1 subgoal): 1. edges G \<union> (edges G - backflows (edges G)) \<union> (backflows (edges G) - edges G) = edges G \<union> backflows (edges G) [PROOF STEP] by fast [PROOF STATE] proof (state) this: stateful_policy_to_network_graph (generate_valid_stateful_policy_IFSACS_2 G M edgesList) = undirected G goal: No subgoals! [PROOF STEP] qed
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using ASTModels using Continuables @expr a b c d = a + b e = c*d # TODO build continuation macro @cont to automatically create the other method version, both for function(cont, ...) for f(cont, ) = as well as for cont not being the first one
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[STATEMENT] lemma integrable_inner_left[simp, intro]: "(c \<noteq> 0 \<Longrightarrow> integrable M f) \<Longrightarrow> integrable M (\<lambda>x. f x \<bullet> c)" [PROOF STATE] proof (prove) goal (1 subgoal): 1. (c \<noteq> (0::'a) \<Longrightarrow> integrable M f) \<Longrightarrow> integrable M (\<lambda>x. f x \<bullet> c) [PROOF STEP] unfolding integrable.simps [PROOF STATE] proof (prove) goal (1 subgoal): 1. (c \<noteq> (0::'a) \<Longrightarrow> Ex (has_bochner_integral M f)) \<Longrightarrow> Ex (has_bochner_integral M (\<lambda>x. f x \<bullet> c)) [PROOF STEP] by fastforce
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import argparse import numpy as np import dynamics import plot import random_matrix import sample_point parser = argparse.ArgumentParser(description='molnet example') parser.add_argument('--seed', '-s', type=int, help='random seed', default=0) parser.add_argument('--node-size', '-N', type=int, help='Node size', default=2) parser.add_argument('--channel-size', '-C', type=int, help='Node size', default=1) parser.add_argument('--largest-singular-value', '-S', type=float, help='The largest singular value', default=1.) parser.add_argument('--sample-point-size', '-T', type=int, help='# of Sample points per an interval', default=20) parser.add_argument('--length', '-L', type=float, help='Length of each side of domain', default=1.) parser.add_argument('--out', '-O', type=str, help='Output directory', default='result') args = parser.parse_args() np.random.seed(args.seed) # Generate random matrices N = args.node_size lambda_ = 0.5 * np.ones(N) lambda_[0] = 1.0 P = random_matrix.make_p(lambda_) C = args.channel_size s = np.ones(C) * -0.5 s[0] = args.largest_singular_value W = random_matrix.make_w(s) b = np.zeros(C) # Make dynamics f = dynamics.make_dynamics(P, W, b) # Make sample points and forward one time step T = args.sample_point_size L = args.length p = sample_point.make_sample_points(L, T, N, C) p_next = f(p) # Debug print lambda_, e = np.linalg.eig(P) e = e[:, np.argsort(lambda_)] e1 = e[:, -1] # eigen vector for largest eigen vector e2 = e[:, -2] # eigen vector for second largest eigen vector _, s, _ = np.linalg.svd(W) print('P: ', P) print('W:', W) print('Singular values: ', s) print('Largest eigen vector 1: ', e1) print('Second Largest eigen vector: ', e2) plot.streamplot(p, p_next, L, e1[1] / e1[0], 'W={}'.format(float(W)), args.out)
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"""Contains functions for coordinate transformations.""" import math import numpy as np import pandas as pd from weldx import util from weldx.transformations.types import types_timeindex __all__ = [ "build_time_index", "is_orthogonal", "is_orthogonal_matrix", "normalize", "orientation_point_plane", "orientation_point_plane_containing_origin", "point_left_of_line", "reflection_sign", "scale_matrix", "vector_points_to_left_of_vector", ] def build_time_index( time: types_timeindex = None, time_ref: pd.Timestamp = None, ) -> pd.TimedeltaIndex: """Build time index used for xarray objects. Parameters ---------- time: Datetime- or Timedelta-like time index. time_ref: Reference timestamp for Timedelta inputs. Returns ------- pandas.TimedeltaIndex """ if time is None: return time, time_ref time = util.to_pandas_time_index(time) if isinstance(time, pd.DatetimeIndex): if time_ref is None: time_ref = time[0] time = time - time_ref return time, time_ref def scale_matrix(scale_x, scale_y, scale_z) -> np.ndarray: """Return a scaling matrix. Parameters ---------- scale_x : Scaling factor in x direction scale_y : Scaling factor in y direction scale_z : Scaling factor in z direction Returns ------- numpy.ndarray Scaling matrix """ return np.diag([scale_x, scale_y, scale_z]).astype(float) def normalize(a): """Normalize (l2 norm) an ndarray along the last dimension. Parameters ---------- a : data in ndarray Returns ------- numpy.ndarray Normalized ndarray """ norm = np.linalg.norm(a, axis=(-1), keepdims=True) if not np.all(norm): raise ValueError("Length 0 encountered during normalization.") return a / norm def orientation_point_plane_containing_origin(point, p_a, p_b): """Determine a points orientation relative to a plane containing the origin. The side is defined by the winding order of the triangle 'origin - A - B'. When looking at it from the left-hand side, the ordering is clockwise and counter-clockwise when looking from the right-hand side. The function returns 1 if the point lies left of the plane, -1 if it is on the right and 0 if it lies on the plane. Note, that this function is not appropriate to check if a point lies on a plane since it has no tolerance to compensate for numerical errors. Additional note: The points A and B can also been considered as two vectors spanning the plane. Parameters ---------- point : Point p_a : Second point of the triangle 'origin - A - B'. p_b : Third point of the triangle 'origin - A - B'. Returns ------- int 1, -1 or 0 (see description) """ if ( math.isclose(np.linalg.norm(p_a), 0) or math.isclose(np.linalg.norm(p_b), 0) or math.isclose(np.linalg.norm(p_b - p_a), 0) ): raise ValueError("One or more points describing the plane are identical.") return np.sign(np.linalg.det([p_a, p_b, point])) def orientation_point_plane(point, p_a, p_b, p_c): """Determine a points orientation relative to an arbitrary plane. The side is defined by the winding order of the triangle 'A - B - C'. When looking at it from the left-hand side, the ordering is clockwise and counter-clockwise when looking from the right-hand side. The function returns 1 if the point lies left of the plane, -1 if it is on the right and 0 if it lies on the plane. Note, that this function is not appropriate to check if a point lies on a plane since it has no tolerance to compensate for numerical errors. Parameters ---------- point : Point p_a : First point of the triangle 'A - B - C'. p_b : Second point of the triangle 'A - B - C'. p_c : Third point of the triangle 'A - B - C'. Returns ------- int 1, -1 or 0 (see description) """ vec_a_b = p_b - p_a vec_a_c = p_c - p_a vec_a_point = point - p_a return orientation_point_plane_containing_origin(vec_a_point, vec_a_b, vec_a_c) def is_orthogonal(vec_u, vec_v, tolerance=1e-9): """Check if vectors are orthogonal. Parameters ---------- vec_u : First vector vec_v : Second vector tolerance : Numerical tolerance (Default value = 1e-9) Returns ------- bool True or False """ if math.isclose(np.dot(vec_u, vec_u), 0) or math.isclose(np.dot(vec_v, vec_v), 0): raise ValueError("One or both vectors have zero length.") return math.isclose(np.dot(vec_u, vec_v), 0, abs_tol=tolerance) def is_orthogonal_matrix(a: np.ndarray, atol=1e-9) -> bool: """Check if ndarray is orthogonal matrix in the last two dimensions. Parameters ---------- a : Matrix to check atol : atol to pass onto np.allclose (Default value = 1e-9) Returns ------- bool True if last 2 dimensions of a are orthogonal """ return np.allclose(np.matmul(a, a.swapaxes(-1, -2)), np.eye(a.shape[-1]), atol=atol) def point_left_of_line(point, line_start, line_end): """Determine if a point lies left of a line. Returns 1 if the point is left of the line and -1 if it is to the right. If the point is located on the line, this function returns 0. Parameters ---------- point : Point line_start : Starting point of the line line_end : End point of the line Returns ------- int 1,-1 or 0 (see description) """ vec_line_start_end = line_end - line_start vec_line_start_point = point - line_start return vector_points_to_left_of_vector(vec_line_start_point, vec_line_start_end) def reflection_sign(matrix): """Get a sign indicating if the transformation is a reflection. Returns -1 if the transformation contains a reflection and 1 if not. Parameters ---------- matrix : Transformation matrix Returns ------- int 1 or -1 (see description) """ sign = int(np.sign(np.linalg.det(matrix))) if sign == 0: raise ValueError("Invalid transformation") return sign def vector_points_to_left_of_vector(vector, vector_reference): """Determine if a vector points to the left of another vector. Returns 1 if the vector points to the left of the reference vector and -1 if it points to the right. In case both vectors point into the same or the opposite directions, this function returns 0. Parameters ---------- vector : Vector vector_reference : Reference vector Returns ------- int 1,-1 or 0 (see description) """ return int(np.sign(np.linalg.det([vector_reference, vector])))
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import numpy as np def main(): f_name = './output/adjacency/neur_adj_100_400_{0}.dat' c = np.zeros(30) for i in range(0, len(c)): data = np.loadtxt(f_name.format(i)) d_sum = np.sum(data) d_dim = data.shape[0] c[i]=(d_sum/d_dim) print(c, np.mean(c)) if __name__ == '__main__': main()
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#include <iostream> #include <fstream> #include <cmath> #include <string> #include <Eigen/Core> #include <Eigen/Dense> using namespace Eigen; class Interpolation { public: // input: static constexpr int POINT_LIMIT = 30; // Maximum size of input point set int n; // Number of input points float x[POINT_LIMIT], y[POINT_LIMIT]; public: // output: static constexpr float LEFT_LIMIT = 0.f; // Left end of sampling interval static constexpr float RIGHT_LIMIT = 10.f; // Right end of sampling interval static constexpr float SAMPLE_RATE = 0.05f; // Distance of adjoining sample points static constexpr int SAMPLE_POINTS = static_cast<int>((RIGHT_LIMIT - LEFT_LIMIT) / SAMPLE_RATE) + 1; // Number of total sample points float out_x[SAMPLE_POINTS], out_y[SAMPLE_POINTS]; Interpolation(int num, const float *ix, const float *iy) { n = num; memcpy_s(x, num * sizeof(float), ix, num * sizeof(float)); memcpy_s(y, num * sizeof(float), iy, num * sizeof(float)); memset(out_y, 0, sizeof(float) * SAMPLE_POINTS); for (int i = 0; i < SAMPLE_POINTS; ++i) { out_x[i] = (LEFT_LIMIT + i * SAMPLE_RATE); } } void outputToCSV(const char *filename, std::string title = "") { // output results to CSV std::ofstream csv(filename, std::ios::out | std::ios::app); csv << title << ","; for (int i = 0; i < SAMPLE_POINTS; ++i) { csv << out_y[i] << char(i == SAMPLE_POINTS - 1 ? '\n' : ','); } csv.close(); } virtual void evaluate() = 0; // interpolate }; class LinearInterpolation : public Interpolation { public: LinearInterpolation(int num, const float *ix, const float *iy) : Interpolation(num, ix, iy) {} void evaluate() final { int k = -1; for (int i = 0; i < SAMPLE_POINTS; ++i) { while (k + 1 < n && x[k + 1] < out_x[i]) ++k; if (k == -1 || out_x[i] > x[n - 1]) { out_y[i] = 0.0f; } else { float fact = (out_x[i] - x[k]) / (x[k + 1] - x[k]); out_y[i] = fact * y[k + 1] + (1.0f - fact) * y[k]; } } } }; class LagrangeInterpolation : public Interpolation { public: LagrangeInterpolation(int num, const float *ix, const float *iy) : Interpolation(num, ix, iy) {} void evaluate() final { for (int h = 0; h < SAMPLE_POINTS; ++h) { float res = 0.0f; for (int i = 0; i < n; ++i) { float tmp = y[i]; for (int j = 0; j < n; ++j) { if (i != j) { tmp = tmp * (out_x[h] - x[j]); tmp = tmp / (x[i] - x[j]); } } res += tmp; } out_y[h] = res; } } }; class GaussInterpolation : public Interpolation { public: float b0, sigma; GaussInterpolation(int num, const float *ix, const float *iy, float _b0, float _sigma = 1.0f) : b0(_b0), sigma(_sigma), Interpolation(num, ix, iy) {} float gauss(float x, float x0) { return std::exp(-std::pow((x - x0) / sigma, 2.0f) / 2.0f); } void evaluate() final { MatrixXf A(n, n), B(n, 1); for (int i = 0; i < n; i++) { for (int j = 0; j < n; j++) { A(i, j) = gauss(x[i], x[j]); } B(i, 0) = y[i] - b0; } MatrixXf W = A.inverse() * B; for (int i = 0; i < SAMPLE_POINTS; ++i) { float res = b0; for (int j = 0; j < n; ++j) { res += W(j, 0) * gauss(out_x[i], x[j]); } out_y[i] = res; } } }; class LeastSquareInterpolation : public Interpolation { public: int m; LeastSquareInterpolation(int num, const float *ix, const float *iy, int _m) : m(_m), Interpolation(num, ix, iy) {} void evaluate() final { MatrixXf A(n, m + 1); for (int i = 0; i < n; ++i) { float pow = 1.0f; for (int j = m; j >= 0; --j) { A(i, j) = pow; pow *= x[i]; } } MatrixXf B(n, 1); for (int i = 0; i < n; ++i) { B(i, 0) = y[i]; } MatrixXf W = (A.transpose() * A).inverse() * A.transpose() * B; for (int i = 0; i < SAMPLE_POINTS; ++i) { float pow = 1.0f, res = 0.0f; for (int j = m; j >= 0; --j) { res += pow * W(j, 0); pow *= out_x[i]; } out_y[i] = res; } } }; class RidgeRegressionInterpolation : public Interpolation { public: int m; float lambda; RidgeRegressionInterpolation(int num, const float *ix, const float *iy, int _m, float _lambda) : m(_m), lambda(_lambda), Interpolation(num, ix, iy) {} void evaluate() final { MatrixXf A(n, m + 1); for (int i = 0; i < n; ++i) { float pow = 1.0f; for (int j = m; j >= 0; --j) { A(i, j) = pow; pow *= x[i]; } } MatrixXf B(n, 1); for (int i = 0; i < n; ++i) { B(i, 0) = y[i]; } MatrixXf W = (A.transpose() * A + lambda * MatrixXf::Identity(m + 1, m + 1)).inverse() * A.transpose() * B; for (int i = 0; i <= m; i++) std::cout << W(i, 0) << " "; for (int i = 0; i < SAMPLE_POINTS; ++i) { float pow = 1.0f, res = 0.0f; for (int j = m; j >= 0; --j) { res += pow * W(j, 0); pow *= out_x[i]; } out_y[i] = res; } } }; int main() { std::ifstream dataflow("data.txt", std::ios::in); int num; float x[Interpolation::POINT_LIMIT], y[Interpolation::POINT_LIMIT]; dataflow >> num; for (int i = 0; i < num; ++i) { dataflow >> x[i]; } for (int i = 0; i < num; ++i) { dataflow >> y[i]; } dataflow.close(); LinearInterpolation inter0(num, x, y); LagrangeInterpolation inter1(num, x, y); GaussInterpolation inter2(num, x, y, 0.0f); LeastSquareInterpolation inter3(num, x, y, 2); RidgeRegressionInterpolation inter4(num, x, y, 5, 10000.0f); inter0.evaluate(); inter1.evaluate(); inter2.evaluate(); inter3.evaluate(); inter4.evaluate(); inter0.outputToCSV("result.csv", "LinearInterpolation"); inter1.outputToCSV("result.csv", "LagrangeInterpolation"); inter2.outputToCSV("result.csv", "GaussInterpolation"); inter3.outputToCSV("result.csv", "LeastSquareInterpolation"); inter4.outputToCSV("result.csv", "RidgeRegressionInterpolation"); return 0; }
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function value = daub2_condition ( n ) %*****************************************************************************80 % %% DAUB2_DETERMINANT returns the L1 condition of the DAUB2 matrix. % % Licensing: % % This code is distributed under the GNU LGPL license. % % Modified: % % 25 January 2015 % % Author: % % John Burkardt % % Parameters: % % Input, integer N, the order of the matrix. % % Output, real VALUE, the L1 condition. % c0 = sqrt ( 2.0 ) / 2.0; c1 = sqrt ( 2.0 ) / 2.0; a_norm = abs ( c0 ) + abs ( c1 ); b_norm = a_norm; value = a_norm * b_norm; return end
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/*============================================================================= Copyright (c) 2010-2016 Bolero MURAKAMI https://github.com/bolero-MURAKAMI/Sprig Distributed under the Boost Software License, Version 1.0. (See accompanying file LICENSE_1_0.txt or copy at http://www.boost.org/LICENSE_1_0.txt) =============================================================================*/ #ifndef SPRIG_POLICY_DETAIL_POLICIES_UNIQUE_CHECK_IMPL_HPP #define SPRIG_POLICY_DETAIL_POLICIES_UNIQUE_CHECK_IMPL_HPP #include <sprig/config/config.hpp> #ifdef SPRIG_USING_PRAGMA_ONCE # pragma once #endif // #ifdef SPRIG_USING_PRAGMA_ONCE #include <cstddef> #include <boost/mpl/size_t.hpp> #include <boost/mpl/deref.hpp> #include <boost/mpl/iter_fold.hpp> #include <boost/mpl/lambda.hpp> #include <boost/preprocessor/cat.hpp> #include <sprig/tmp/iter_index.hpp> #include <sprig/policy/detail/policy_unique_check_impl.hpp> // // SPRIG_POLICYIES_UNIQUE_CHECK_IMPL // #define SPRIG_POLICYIES_UNIQUE_CHECK_IMPL(TAGS, TYPES, DELECTIVE) \ struct BOOST_PP_CAT(policies_unique_checker_, __LINE__) { \ private: \ template<typename Tag, std::size_t Index, typename Tags, typename Types> \ struct policy_unique_checker { \ private: \ SPRIG_POLICY_UNIQUE_CHECK_IMPL(Tag, TYPES, DELECTIVE); \ }; \ template<typename Tag, typename indexT, typename Tags, typename Types> \ struct element_checker \ : public boost::mpl::size_t<0> \ , public policy_unique_checker<Tag, indexT::value, Tags, Types> \ {}; \ public: \ static std::size_t const value = boost::mpl::iter_fold< \ TAGS, \ boost::mpl::size_t<0>, \ element_checker< \ boost::mpl::deref<boost::mpl::_2>, \ sprig::tmp::iter_index<TAGS, boost::mpl::_2>, \ TAGS, \ TYPES \ > \ >::type::value; \ }; \ static std::size_t const BOOST_PP_CAT(policies_unique_check_, __LINE__) \ = (BOOST_PP_CAT(policies_unique_checker_, __LINE__)::value) #endif // #ifndef SPRIG_POLICY_DETAIL_POLICIES_UNIQUE_CHECK_IMPL_HPP
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############ # Starring # ############ function stargazers(repo; options...) results, page_data = gh_get_paged_json("/repos/$(name(repo))/stargazers"; options...) return map(Owner, results), page_data end function starred(user; options...) results, page_data = gh_get_paged_json("/users/$(name(user))/starred"; options...) return map(Repo, results), page_data end star(repo; options...) = gh_put("/user/starred/$(name(repo))"; options...) unstar(repo; options...) = gh_delete("/user/starred/$(name(repo))"; options...) ############ # Watching # ############ function watchers(repo; options...) results, page_data = gh_get_paged_json("/repos/$(name(repo))/subscribers"; options...) return map(Owner, results), page_data end function watched(owner; options...) results, page_data = gh_get_paged_json("/users/$(name(owner))/subscriptions"; options...) return map(Repo, results), page_data end watch(repo; options...) = gh_put("/repos/$(name(repo))/subscription"; options...) unwatch(repo; options...) = gh_delete("/repos/$(name(repo))/subscription"; options...)
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""" @author Mayank Mittal, Jingzhou Liu @email mittalma@ethz.ch, jingzhou.liu@mail.utoronto.ca @brief Implementation of Spidey robot in Isaac Sim. """ # python import os import numpy as np import scipy.spatial.transform as tf from typing import Optional # omniverse from pxr import Usd, UsdGeom, Gf, Semantics import omni.isaac.dynamic_control._dynamic_control as omni_dc # spidey from spidey_python.utils.message import * from spidey_python.utils.errors import * from spidey_python.omniverse.robot.robot_base import RobotBase from spidey_python.omniverse.robot.spidey import SpideyDim, SpideyBot # Default dictionary for setting up the spidey robot. SPIDEY_ROBOT_DEFAULT_CONFIG = { # Type of controller for spidey ["position", "velocity", "effort"] 'spidey_ctrl': 'position', # Disable gravity for spidey 'spidey_disable_gravity': False, # path to the USD file for the robot 'usd_path': os.path.join(os.environ["SPIDEY_ROOT"], "omniverse/resources/usd", "robot/spidey/spidey.usd") } class SpideyRobot(RobotBase): """ @brief Implementation of Spidey robot. State: q_j, dq_j Input: dq_j """ """ Instantiation """ def __init__(self, stage: Usd.Stage, prim_path: Optional[str] = '/spidey', config: Optional[dict] = None, meters_per_unit: Optional[float] = 1.0): """ Defines the variables and constants for the system. :param stage: The USD stage to import robot into. :param prim_path: The path for the primitive in the stage. :param config: A dictionary containing parameters for the class (default: SPIDEY_ROBOT_DEFAULT_CONFIG). :param meters_per_unit: The units of conversion from simulator's scale to meters. """ super().__init__() # Check that input is correct assert os.path.isabs(prim_path) assert isinstance(meters_per_unit, float) # Copy args to internal variables self._prim_path = prim_path self._meters_per_unit = meters_per_unit # Update the default dictionary self._config = SPIDEY_ROBOT_DEFAULT_CONFIG if config is not None: self._config.update(config) # Persistent Scene-graph related in Universal Scene Description self._stage = stage self._prim = None # Handles to various ov-kit plugins self._dc_handle = None # Handles related to robot self._articulation_handle = None # Definitions for various internal dimensions self._dims = SpideyDim # Parts of the robot are defined separately since each are controlled differently. self._parts = { "spidey": SpideyBot(meters_per_unit, ee_handle_names=["leg1_link3_tip","leg2_link3_tip","leg3_link3_tip","leg4_link3_tip"], transform_ext=None) } # Store DOF properties self._dof_properties = { "lower_limits": np.array([]), "upper_limits": np.array([]), "max_velocity": np.array([]), "max_efforts": np.array([]), } # Default state of the robot self._robot_default_state = { "pos": np.concatenate([self._parts["spidey"].default_state["pos"]]), "vel": np.concatenate([self._parts["spidey"].default_state["vel"]]) } # Dynamics information of the robot self._robot_state = { # Generalized coordinates: spidey joints (12) "pos": np.zeros(self._dims.GeneralizedCoordinatesDim.value), # Generalized velocities: spidey joints (12) "vel": np.zeros(self._dims.GeneralizedVelocitiesDim.value) } def __del__(self): """ Cleanup after exiting """ pass def __str__(self) -> str: """ :return: A string containing information about the instance's state. """ # set print options for numpy np.set_printoptions(precision=4) # print message msg = f"Spidey @ \'{self._prim_path}\'\n" \ " Spidey Feet Poses:\n" \ f" I_r_IE: {self._parts['spidey'].I_r_IE} \n" \ f" q_IE: {self._parts['spidey'].q_IE} \n" \ " Spidey State:\n" \ f" q_j: {self.q[0:]} \n" \ f" dq_j: {self.u[0:]} \n" \ return msg """ Properties """ @property def prim(self) -> Usd.Prim: """ :return: The USD primitive instance corresponding to the robot. """ return self._prim @property def prim_path(self) -> str: """ :return: The path to the prim the stage. """ return self._prim_path @property def dof_properties(self) -> dict: """ :return: A dictionary containing the DOF properties such as joint limits. """ return self._dof_properties @property def q(self) -> np.ndarray: """ :return: The generalized coordinates of the robot. """ return self._robot_state["pos"] @property def u(self) -> np.ndarray: """ :return: The generalized velocities of the robot. """ return self._robot_state["vel"] @property def config(self) -> dict: """ :return: A dictionary containing parameters for the class. """ return self._config @property def parts(self) -> dict: """ :return: A dictionory providing direct access to various parts of the robot. """ return self._parts @property def default_state(self) -> dict: """ :return: The default state of the robot. """ return self._robot_default_state @property def state(self) -> dict: """ :return: The current state of the robot. """ return self._robot_state @property def base_link_pose(self)-> np.ndarray: """ :return: The current pose of the base_link: [q_w, q_x, q_y, q_z, x_root, y_root, z_root] """ return self._parts["spidey"].base_link_pose """ Helpers """ def toggle_visibility(self, visible: bool): """ Toggle visibility of the robot prim in the scene. :param visible: Flag to whether make prim visible or invisible. """ # get imageable object imageable = UsdGeom.Imageable(self._prim) # toggle visibility if visible: imageable.MakeVisible() else: imageable.MakeInvisible() def set_semantic_label(self, label: str): """ Set the semantic label corresponding to the prim. :param label: Name of the semantic label. """ # create semantics api if not exists if not self._prim.HasAPI(Semantics.SemanticsAPI): sem = Semantics.SemanticsAPI.Apply(self._prim, "Semantics") sem.CreateSemanticTypeAttr() sem.CreateSemanticDataAttr() else: sem = Semantics.SemanticsAPI.Get(self._prim, "Semantics") # set attributes sem.GetSemanticTypeAttr().Set("class") sem.GetSemanticDataAttr().Set(label) def set_prim_pose(self, pos: np.ndarray, quat: Optional[np.ndarray] = None): """ Set location of the root of the robot in the stage. :param pos: (x, y, z) cartesian coordinates for location of root of the robot in the world frame. :param quat: (x, y, z, w) quaternion coordinates of orientation of root of the robot in the world frame. Default orientation is (0, 0, 0, 1), i.e. identity w.r.t. world. """ if self._prim is None: print_warn(f"Prim not found at \'{self._prim_path}\'. Please ensure that the USD stage has the prim.") return # convert to datatypes accepted by simulator if not isinstance(pos, Gf.Vec3d): pos = pos / self._meters_per_unit pos = Gf.Vec3d(*pos) # if orientation not provided, default to identity if quat is not None: rotm = tf.Rotation.from_quat(quat).as_matrix() rotm = Gf.Matrix3d(*rotm.ravel()) else: rotm = Gf.Matrix3d().SetIdentity() # set attribute properties for the transform on the primitive properties = self._prim.GetPropertyNames() if "xformOp:transform" in properties: transform_attr = self._prim.GetAttribute("xformOp:transform") matrix = self._prim.GetAttribute("xformOp:transform").Get() matrix.SetTranslateOnly(pos).SetRotateOnly(rotm) transform_attr.Set(matrix) else: xform = UsdGeom.Xformable(self._prim) # xform_op = xform.AddXformOp(UsdGeom.XformOp.TypeTransform, UsdGeom.XformOp.PrecisionDouble, "") # xform_op.Set(Gf.Matrix4d().SetTranslate(pos).SetRotate(rotm)) matrix = Gf.Matrix4d().SetTranslateOnly(pos).SetRotateOnly(rotm) xform.AddTransformOp().Set(matrix) def set_state(self, q: np.ndarray, u: np.ndarray): """ Set the dof state of the robot. :param q: Generalized coordinates for the robot. :param u: Generalized velocities for the robot. """ # convert input to numpy array (sanity) q = np.asarray(q) u = np.asarray(u) # check input is of right shape assert q.shape == (self._dims.GeneralizedCoordinatesDim.value,) assert u.shape == (self._dims.GeneralizedVelocitiesDim.value,) # for spidey self._parts["spidey"].set_state(q[:], u[:]) """ Operations """ def create(self): """ Loads the robot into the Omniverse stage. @note This function is kept separate in case one wants to create an instance of the class without launching the simulator. Or, if one doesn't want to create a new primitive programmatically but refer to an exisiting one in the current USD stage. """ # Extract USD path from configuration usd_path = self._config["usd_path"] # check that path exists if not os.path.exists(usd_path): msg = f"File not found: {usd_path}" print_error(msg) raise FileNotFoundError(msg) else: print_info(f"Loading from: {usd_path}.") # define persistent scene graph geometry for the robot self._prim = self._stage.DefinePrim(self._prim_path, "Xform") # add reference to the USD in the current stage self._prim.GetReferences().AddReference(usd_path) # check that the path to articulation in scene-graph is correct assert self._prim_path == self._prim.GetPath().pathString def setup(self, dc: omni_dc.DynamicControl): """ Registers the assets and configures internal variables of the robot. :param dc: Handle to dynamic control plugin instance. """ # get prim if it doesn't exist yet # this is to deal with the scenario when the stage already has the prim so user does not create one. if self._prim is None: self._prim = self._stage.GetPrimAtPath(self._prim_path) # check that prim exists. (GetPrimPath returns invalid prim if one doesn't exist) if not self._prim.IsValid(): msg = f"Prim not found at \'{self._prim_path}\'. Please ensure that the USD stage has the prim." print_error(msg) raise OmniverseError(msg) # initialize dynamic control handle self._dc_handle = dc # initialize handle to the articulation for robot through dynamic control toolbox self._articulation_handle = self._dc_handle.get_articulation(self._prim_path) if self._articulation_handle == omni_dc.INVALID_HANDLE: raise InvalidHandleError(f"Failed to obtain robot at \'{self._prim_path}\'") # get number of degrees of freedom of robot num_dofs = self._dc_handle.get_articulation_dof_count(self._articulation_handle) num_dofs_expected = self._parts["spidey"].dof # check that number of DOFs are correct if num_dofs != num_dofs_expected: raise OmniverseError(f"Incorrect number of degrees of freedom. " f"Expected {num_dofs_expected} but received {num_dofs}.") # setup handles for the robot # For spidey self._parts["spidey"].setup(self._articulation_handle, self._dc_handle, ctrl=self._config["spidey_ctrl"], dof_offset=0, disable_gravity=self._config["spidey_disable_gravity"]) # get joint poperties dof_props = self._dc_handle.get_articulation_dof_properties(self._articulation_handle) # store essential dof properties internally self._dof_properties["lower_limits"] = np.asarray(dof_props["lower"]) self._dof_properties["upper_limits"] = np.asarray(dof_props["upper"]) self._dof_properties["max_velocity"] = np.asarray(dof_props["maxVelocity"]) self._dof_properties["max_effort"] = np.asarray(dof_props["maxEffort"]) # root spawned position self.set_prim_pose(pos=np.array([0.0, 0.0, 0.0]), quat=None) # set default initial state of the robot self.set_state(q=self._robot_default_state["pos"], u=self._robot_default_state["vel"]) # update the internal buffers self.update() # print status print_notify(f"Setup complete for spidey robot: \'{self._prim_path}\'.") def advance(self, spidey_cmd: np.ndarray = None): """Apply input command to the robot. :param spidey_cmd: The joint command for spidey. """ if spidey_cmd is None: spidey_cmd = self.q[:] # apply command to the robot self._parts["spidey"].apply_command(spidey_cmd) def update(self): """ Updates the buffers for dynamics state of the robot. """ # update the wrappers self._parts["spidey"].update() # fill base pose to generalized coordinates self._robot_state["pos"][:] = self._parts["spidey"].state["pos"] # fill base velocity to generalized velocities self._robot_state["vel"][:] = self._parts["spidey"].state["vel"] def display(self): """ Display the configuration of the robot. """ print(f"Articulation handle: {self._articulation_handle}") # Print information about kinematic chain root_link_index = self._dc_handle.get_articulation_root_body(self._articulation_handle) print("--- Hierarchy:\n" f"{self._convert_kinematic_hierarchy_to_string(root_link_index)}") # Information about the body states of the robot body_states = self._dc_handle.get_articulation_body_states(self._articulation_handle, omni_dc.STATE_ALL) print_info("--- Body states:\n" f"{body_states}") # Information about the DOF states of the robot. dof_states = self._dc_handle.get_articulation_dof_states(self._articulation_handle, omni_dc.STATE_ALL) print_info("--- DOF states:\n" f"{dof_states}") # Information about the DOF properties of the robot. dof_props = self._dc_handle.get_articulation_dof_properties(self._articulation_handle) print_info("--- DOF properties:\n" "[type] [has-limits] [lower] [upper] [drive-mode] [max-vel] [max-effort] [stiffness] [damping]\n" f"{dof_props}") """ Internals """ def _convert_kinematic_hierarchy_to_string(self, body_index, indent_level=0) -> str: """ Reads the articulation handle and converts kinematic tree into a string. :param body_index: Index of the body to start iteration with. :param indent_level: Indentation level in the converted message :return: A string message containing the kinematic tree. """ # define current indentation indent = "|" + "-" * indent_level # get name of the body body_name = self._dc_handle.get_rigid_body_name(body_index) # add body name to string str_output = f"{indent}Body: {body_name}\n" # iterate over children of the body for i in range(self._dc_handle.get_rigid_body_child_joint_count(body_index)): # get joint name joint = self._dc_handle.get_rigid_body_child_joint(body_index, i) joint_name = self._dc_handle.get_joint_name(joint) # get child link name child = self._dc_handle.get_joint_child_body(joint) child_name = self._dc_handle.get_rigid_body_name(child) # add information to string output str_output += f"{indent}>>Joint: {joint_name} -> {child_name}\n" # iterate recrusively for depth-first-search str_output += self._convert_kinematic_hierarchy_to_string(child, indent_level + 4) # return result return str_output # EOF
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[STATEMENT] lemma ine_ins_neg1: assumes "\<not> ine P m" and "exprChannel x m" shows "x \<notin> ins P" [PROOF STATE] proof (prove) goal (1 subgoal): 1. x \<notin> ins P [PROOF STEP] using assms [PROOF STATE] proof (prove) using this: \<not> ine P m exprChannel x m goal (1 subgoal): 1. x \<notin> ins P [PROOF STEP] by (simp add: ine_def, auto)
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import numpy as np from scipy.integrate import simps for i in range(1,4): a = np.loadtxt(f"ezrho{i}.out") ir_max = 501 val = a[:ir_max,0] r = a[:ir_max,1] a2 = simps(val, r) print(a2)
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import numpy import matplotlib as mplt __all__ = ['lineplot'] def lineplot(vertices, indices, linewidths=1): """Plot 2D line segments""" vertices = numpy.asarray(vertices) indices = numpy.asarray(indices) #3d tensor [segment index][vertex index][x/y value] lines = vertices[numpy.ravel(indices),:].reshape((indices.shape[0],2,2)) col = mplt.collections.LineCollection(lines) col.set_color('k') col.set_linewidth(linewidths) sub = mplt.pylab.gca() sub.add_collection(col,autolim=True) sub.autoscale_view()
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import os import argparse import json import numpy as np import torch import torch.nn as nn import pickle from util import rescale, find_max_epoch, print_size, sampling, calc_diffusion_hyperparams, AverageMeter from util_fastdpmv2 import fast_sampling_function_v2 torch_version = torch.__version__ if torch_version == '1.7.1': from models.pointnet2_ssg_sem import PointNet2SemSegSSG from models.pointnet2_with_pcld_condition import PointNet2CloudCondition from models.point_upsample_module import point_upsample from chamfer_loss_new import Chamfer_F1 try: from emd import EMD_distance EMD_module_loaded = True except: print('The emd module is not loaded') EMD_module_loaded = False elif torch_version == '1.4.0': import sys sys.path.append('models/pvd') from model_forward import PVCNN2 from metrics.evaluation_metrics import EMD_CD else: raise Exception('Pytorch version %s is not supported' % torch_version) from dataset import get_dataloader from eval.plot_result import plot_result from eval.compare_eval_result import plot_result_list import pdb from dataparallel import MyDataParallel import h5py import time name_to_number ={ 'plane': '02691156', 'bench': '02828884', 'cabinet': '02933112', 'car': '02958343', 'chair': '03001627', 'monitor': '03211117', 'lamp': '03636649', 'speaker': '03691459', 'firearm': '04090263', 'couch': '04256520', 'table': '04379243', 'cellphone': '04401088', 'watercraft': '04530566'} number_to_name = {} for k in name_to_number.keys(): number_to_name[name_to_number[k]] = k def evaluate(net, testloader, diffusion_hyperparams, print_every_n_steps=200, parallel=True, dataset='shapenet', scale=1, save_generated_samples=False, save_dir = None, task = 'completion', refine_output_scale_factor=None, max_print_nums=1e8, save_multiple_t_slices=False, t_slices=[5, 10, 20, 50, 100, 200, 400, 600, 800], use_a_precomputed_XT=False, T_step=100, point_upsample_factor=1, include_displacement_center_to_final_output=False, compute_emd=True, compute_cd=True, num_points=None, augment_data_during_generation=False, noise_magnitude_added_to_gt=0.01, add_noise_to_generated_for_refine_exp=False, return_all_metrics=False, fast_sampling=False, fast_sampling_config=None, diffusion_config=None): assert task in ['completion', 'refine_completion', 'denoise'] CD_meter = AverageMeter() F1_meter = AverageMeter() EMD_meter = AverageMeter() total_len = len(testloader) if fast_sampling: assert not save_multiple_t_slices assert not use_a_precomputed_XT if not dataset in ['shapenet', 'shapenet_pytorch', 'mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: raise Exception('%s dataset is not supported' % dataset) if use_a_precomputed_XT: assert task == 'completion' assert dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet'] # right now we only implemented this feature for mvp dataset if augment_data_during_generation: assert task == 'completion' assert dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet'] if dataset == 'shapenet' or dataset=='shapenet_pytorch': total_meta = [] elif dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: # total meta is label info total_meta = torch.rand(0).cuda().long() # cd_distance = torch.rand(0).cuda() # emd_distance = torch.rand(0).cuda() metrics = {'cd_distance': torch.rand(0).cuda(), 'emd_distance': torch.rand(0).cuda(), 'cd_p': torch.rand(0).cuda(), 'f1': torch.rand(0).cuda()} # cd_module = Chamfer_Loss() f1_threshold = 0.001 if dataset == 'mvp40' else 0.0001 if torch_version == '1.7.1': cd_module = Chamfer_F1(f1_threshold=f1_threshold) if compute_emd and EMD_module_loaded: emd_module = EMD_distance() if parallel: net = MyDataParallel(net) if torch_version == '1.7.1': cd_module = nn.DataParallel(cd_module) if compute_emd and EMD_module_loaded: emd_module = nn.DataParallel(emd_module) if save_generated_samples: print('generated_samples will be saved to the directory', save_dir) if dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: total_generated_data = None if save_multiple_t_slices: generated_data_t_slices = None print_interval = int(np.ceil(total_len / max_print_nums)) total_time = 0 for idx, data in enumerate(testloader): if dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: label = data['label'].cuda() condition = data['partial'].cuda() gt = data['complete'].cuda() if task == 'refine_completion': generated = data['generated'].cuda() if use_a_precomputed_XT: XT = data['XT'].cuda() else: XT = None if augment_data_during_generation: # in this case, condition, gt, generated, XT are all agumented M_inv = data['M_inv'].cuda() translation = data['translation'].cuda() batch = gt.shape[0] try: num_points = gt.shape[1] except: num_points = num_points print('num points is set to %d' % num_points) # print('num points is set to the number of points (%d) in the partial point cloud' % num_points) if (idx) % print_interval == 0: print('begin generating') net.reset_cond_features() start = time.time() # pdb.set_trace() if task == 'refine_completion': if add_noise_to_generated_for_refine_exp: generated = generated + torch.normal(0, noise_magnitude_added_to_gt, size=generated.shape, device=generated.device) displacement = net(generated, condition, ts=None, label=label) if point_upsample_factor > 1: generated_data, _ = point_upsample(generated, displacement, point_upsample_factor, include_displacement_center_to_final_output, refine_output_scale_factor) else: generated_data = generated + displacement * refine_output_scale_factor # loss = loss_function(X, refined_X, batch_reduction='mean') elif task == 'denoise': generated = gt + torch.normal(0, noise_magnitude_added_to_gt, size=gt.shape, device=gt.device) displacement = net(generated, condition=condition, ts=None, label=label) generated_data = generated + displacement * refine_output_scale_factor else: if save_multiple_t_slices: assert dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']# shapenet is not supported yet generated_data, result_slices = sampling(net, (batch,num_points,3), diffusion_hyperparams, print_every_n_steps=print_every_n_steps, label=label, condition=condition, verbose=False, return_multiple_t_slices=True, t_slices=t_slices, use_a_precomputed_XT=use_a_precomputed_XT, step=T_step, XT=XT) # result_slices is a dict that contains torch tensors else: if fast_sampling: generated_data = fast_sampling_function_v2(net, (batch,num_points,3), diffusion_hyperparams, # DDPM parameters diffusion_config, print_every_n_steps=print_every_n_steps, label=label, verbose=False, condition=condition, **fast_sampling_config) else: # generated_data = gt + torch.normal(0, 0.01, size=gt.shape, device=gt.device) generated_data = sampling(net, (batch,num_points,3), diffusion_hyperparams, print_every_n_steps=print_every_n_steps, label=label, condition=condition, verbose=False, use_a_precomputed_XT=use_a_precomputed_XT, step=T_step, XT=XT) generation_time = time.time() - start total_time = total_time + generation_time # generated_data = torch.rand(batch,num_points,3,device=gt.device) if augment_data_during_generation: generated_data = torch.matmul(generated_data - translation, M_inv) gt = torch.matmul(gt - translation, M_inv) generated_data = generated_data/2/scale gt = gt/2/scale if save_multiple_t_slices: for key in result_slices.keys(): if augment_data_during_generation: result_slices[key] = torch.matmul(result_slices[key] - translation, M_inv) result_slices[key] = result_slices[key]/2/scale result_slices[key] = result_slices[key].detach().cpu().numpy() torch.cuda.empty_cache() if torch_version == '1.7.1': if compute_cd: cd_p, dist, f1 = cd_module(generated_data, gt) cd_loss = dist.mean().detach().cpu().item() f1_loss = f1.mean().detach().cpu().item() else: dist = torch.zeros(generated_data.shape[0], device=generated_data.device, dtype=generated_data.dtype) cd_p = dist f1 = dist cd_loss = dist.mean().detach().cpu().item() f1_loss = f1.mean().detach().cpu().item() if compute_emd and EMD_module_loaded: emd_cost = emd_module(generated_data, gt) else: emd_cost = torch.zeros_like(dist) emd_loss = emd_cost.mean().detach().cpu().item() else: # 1.4.0 result = EMD_CD(generated_data, gt, f1_threshold = f1_threshold) dist = result['CD'] cd_p = dist f1 = result['fscore'] emd_cost = result['EMD'] cd_loss = dist.mean().detach().cpu().item() f1_loss = f1.mean().detach().cpu().item() emd_loss = emd_cost.mean().detach().cpu().item() if dataset == 'shapenet': total_meta = total_meta + data[3] elif dataset == 'shapenet_pytorch': total_meta = total_meta + list(data[3]) elif dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: total_meta = torch.cat([total_meta, label]) metrics['cd_distance'] = torch.cat([metrics['cd_distance'], dist]) metrics['emd_distance'] = torch.cat([metrics['emd_distance'], emd_cost]) metrics['cd_p'] = torch.cat([metrics['cd_p'], cd_p]) metrics['f1'] = torch.cat([metrics['f1'], f1]) CD_meter.update(cd_loss, n=batch) F1_meter.update(f1_loss, n=batch) EMD_meter.update(emd_loss, n=batch) if (idx) % print_interval == 0: print('progress [%d/%d] %.4f (%d samples) CD distance %.8f EMD distance %.8f F1 score %.6f this batch time %.2f total generation time %.2f' % (idx, total_len, idx/total_len, batch, CD_meter.avg, EMD_meter.avg, F1_meter.avg, generation_time, total_time), flush=True) # if task == 'completion' and save_generated_samples: if save_generated_samples: if dataset in ['shapenet', 'shapenet_pytorch']: meta = data[3] # meta_files = [os.path.split(m)[-1] for m in meta] for i in range(len(meta)): meta_split = meta[i].split('/') meta_file = os.path.join(meta_split[-2], meta_split[-1]) save_file = os.path.join(save_dir, meta_file) save_data = generated_data[i].detach().cpu().numpy() hf = h5py.File(save_file, 'w') hf.create_dataset('data', data=save_data) hf.close() elif dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: if dataset == 'mvp_dataset': save_file = os.path.join(save_dir, 'mvp_generated_data_%dpts.h5' % num_points) elif dataset == 'shapenet_chunk': save_file = os.path.join(save_dir, 'shapenet_generated_data_%dpts.h5' % num_points) elif dataset == 'mvp40': save_file = os.path.join(save_dir, 'mvp40_generated_data_%dpts.h5' % num_points) elif dataset == 'partnet': save_file = os.path.join(save_dir, 'partnet_generated_data_%dpts.h5' % num_points) if total_generated_data is None: total_generated_data = generated_data.detach().cpu().numpy() else: total_generated_data = np.concatenate([total_generated_data, generated_data.detach().cpu().numpy()], axis=0) hf = h5py.File(save_file, 'w') hf.create_dataset('data', data=total_generated_data) hf.close() # save t slices if save_multiple_t_slices: if generated_data_t_slices is None: generated_data_t_slices = result_slices else: for t in t_slices: generated_data_t_slices[t] = np.concatenate([generated_data_t_slices[t], result_slices[t]], axis=0) for t in t_slices: if dataset == 'mvp_dataset': t_save_file = os.path.join(save_dir, 'mvp_generated_data_%dpts_T%d.h5' % (num_points, t)) elif dataset == 'shapenet_chunk': t_save_file = os.path.join(save_dir, 'shapenet_generated_data_%dpts_T%d.h5' % (num_points, t)) elif dataset == 'mvp40': t_save_file = os.path.join(save_dir, 'mvp40_generated_data_%dpts_T%d.h5' % (num_points, t)) elif dataset == 'partnet': t_save_file = os.path.join(save_dir, 'partnet_generated_data_%dpts_T%d.h5' % (num_points, t)) hf = h5py.File(t_save_file, 'w') hf.create_dataset('data', data=generated_data_t_slices[t]) hf.close() if (idx) % print_interval == 0: print('%d files have been saved to the directory %s' % (batch, save_dir)) if dataset in ['mvp_dataset', 'shapenet_chunk', 'mvp40', 'partnet']: total_meta = total_meta.detach().cpu().numpy() if return_all_metrics: return CD_meter.avg, EMD_meter.avg, total_meta, metrics else: return CD_meter.avg, EMD_meter.avg, total_meta, metrics['cd_distance'], metrics['emd_distance'] def get_each_category_distance(files): handle = open(files, 'rb') data = pickle.load(handle) handle.close() # pdb.set_trace() meta = data['meta'] distance_keys = ['cd_distance', 'emd_distance'] cate_split_result = [] for distance in distance_keys: split_result = {} for k in name_to_number.keys(): split_result[k] = [] for i, m in enumerate(meta): number = m.split('/')[-2] cate = number_to_name[number] split_result[cate].append(data[distance][i]) final_split_result = {} for k in split_result.keys(): if len(split_result[k]) > 0: final_split_result[k] = np.array(split_result[k]).mean() # print(k, final_split_result[k]) cate_split_result.append(final_split_result) for idx, dis in enumerate(distance_keys): new_key = dis + '_category_split_result' data[new_key] = cate_split_result[idx] handle = open(files, 'wb') pickle.dump(data, handle) handle.close() print('Have splitted distance of each category for file %s' % files, flush=True) return 0 def gather_eval_result_of_different_iters(directory, match1, match2, nomatch=None, split_category = False, save_suffix = '', plot=True, # gather all evaluation results from all ckpts and plot them in figures gathered_keys=['iter', 'avg_cd', 'avg_emd', 'cd_distance_category_split_result', 'emd_distance_category_split_result']): files = [f for f in os.listdir(directory) if os.path.isfile(os.path.join(directory, f))] files = [f for f in files if match1 in f and match2 in f] if not nomatch is None: files = [f for f in files if not nomatch in f] gathered_results = {} for f in files: if split_category: get_each_category_distance(os.path.join(directory, f)) handle = open(os.path.join(directory, f), 'rb') data = pickle.load(handle) handle.close() for key in gathered_keys: if key in data.keys(): if isinstance(data[key], dict): # data[key] is a dictionary if key in gathered_results.keys(): for sub_key in data[key].keys(): gathered_results[key][sub_key].append(data[key][sub_key]) # data[key][sub_key] is a single number else: gathered_results[key] = {} for sub_key in data[key].keys(): gathered_results[key][sub_key] = [ data[key][sub_key] ] else: # data[key] is a single number if key in gathered_results.keys(): gathered_results[key].append(data[key]) else: gathered_results[key] = [data[key]] else: print('key %s is not in the data loaded from file %s' % (key, f), flush=True) save_file = os.path.join(directory, 'gathered_eval_result'+save_suffix+'.pkl') handle = open(save_file, 'wb') pickle.dump(gathered_results, handle) handle.close() if plot: plot_result(gathered_results, gathered_keys[0], os.path.join(directory, 'figures'+save_suffix), plot_values=gathered_keys[1:], print_lowest_value=False) return gathered_results def plot_train_and_val_eval_result(eval_dir): # plot testset and trainset figures in the same figure, and find the ckpt that has the lowest loss value label_list = ['test set', 'train set'] files = ['gathered_eval_result.pkl', 'gathered_eval_result_trainset.pkl'] file_list = [os.path.join(eval_dir, files[i]) for i in range(len(files))] plot_values = ['avg_cd', 'avg_emd', 'avg_cd_p', 'avg_f1'] result_list = [] for f in file_list: handle = open(f, 'rb') result = pickle.load(handle) result_list.append(result) handle.close() save_dir = os.path.join(eval_dir, 'compare_test_and_train_set') plot_result_list(result_list, 'iter', label_list, save_dir, line_style=None, plot_values=plot_values, print_lowest_value=True)
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#!/opt/anaconda3/envs/py27/bin/python # -*- coding: UTF-8 -*- import cgi, os, sys import cgitb; cgitb.enable() from pandas import * import numpy as np import twd97 from pyproj import Proj import tempfile as tf Latitude_Pole, Longitude_Pole = 23.61000, 120.9900 Xcent, Ycent = twd97.fromwgs84(Latitude_Pole, Longitude_Pole) pnyc = Proj(proj='lcc', datum='NAD83', lat_1=10, lat_2=40, lat_0=Latitude_Pole, lon_0=Longitude_Pole, x_0=0, y_0=0.0) form = cgi.FieldStorage() SED='/usr/bin/sed -ie' pth='/tmp/wrose/' rst='/Library/WebServer/Documents/taiwan/' CGI='/Library/WebServer/CGI-Executables/' NCL='/opt/anaconda3/envs/ncl_stable/bin/ncl ' MBLs={'obsv':'/Library/WebServer/Documents/taiwan/taiMarbleScale.ncl',\ 'forc':'/Library/WebServer/Documents/taiwan/chnMarble.ncl'} ran=tf.NamedTemporaryFile().name.replace('/','').replace('tmp','') os.system('mkdir -p '+pth) print "Content-Type: text/html\n\n " print open(CGI+'header.txt','r') fileitem = [form['filename'+str(i)] for i in range(2)] fns,dfs=[],[] col=['x','y'] for i in range(2): if fileitem[i].filename: fns.append( os.path.basename(fileitem[i].filename)) open(pth+fns[i], 'wb').write(fileitem[i].file.read()) df=read_csv(pth+fns[i],header=None) if len(df.columns)>2: col_tmp=df.columns for j in range(2,len(df.columns)): del df[col_tmp[j]] df.columns=col if type(df.loc[0,'x'])!=float: df=df.drop(0).reset_index(drop=True) df.x=np.array(df.x,dtype=float) df.y=np.array(df.y,dtype=float) if max(df.x)>360.: x_lcp,y_lcp=np.array(df.x)-Xcent,np.array(df.y)-Ycent lon, lat = pnyc(x_lcp, y_lcp, inverse=True) df.x,dfy=lon,lat dfs.append(df) if len(dfs[0])>len(dfs[1]): line,marks=(dfs[i] for i in range(2)) else: marks,line=(dfs[i] for i in range(2)) line[col].set_index('x').to_csv(rst+'line.csv',header=None) marks[col].set_index('x').to_csv(rst+'marks.csv',header=None) MBL=MBLs['obsv'] mbl=MBL.split('/')[-1] rmb='trj_'+ran+'.ncl' title='trj. for '+fns[0].replace('.csv','') cmd ='source /opt/local/bin/conda_ini ncl_stable >/tmp/wrose/wrose.out;' cmd+='cd '+rst+';' cmd+='cp '+mbl+' '+rmb+';'+SED+(' "s/TITLE/{:s}/g" '+rmb).format(title)+';' cmd+= NCL+rmb+'>>/tmp/wrose/wrose.out;' cmd+='cp topo.png ./trj_'+ran+'.png' os.system('echo "'+cmd+'">>/tmp/wrose/wrose.out') os.system(cmd) os.system('echo "OK 3!">>/tmp/wrose/wrose.out') fn2='../../taiwan/trj_'+ran+'.png' print """ <p>The resultant PNG will be automatically downloaded shortly. If it doesn't, click <a data-auto-download href="%s">%s</a></p> </body> </html> """ % (fn2,fn2.split('/')[-1])
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module fractdata implicit double precision(a-h,o-z) parameter(nsmall=140) parameter(ncomp=10) parameter(maxdouble=50) parameter(maxfamily=50) save character*80 icomm character*2 sym(91) character*80 inputformat character*20 ititle dimension numb(91) dimension rad(91),subtimes(10) character*80, allocatable :: abinitio(:) character*2, allocatable :: atoms(:) integer, allocatable :: numa(:) integer, allocatable :: nstop(:),numat(:),natstore(:,:) integer, allocatable :: isign(:),itype(:,:),ibond(:,:,:) integer, allocatable :: ilink(:,:),map(:,:),kf(:) integer, allocatable :: nfam(:),ifam(:,:),mult(:),ichg(:) integer, allocatable :: mbstore(:),nbstore(:),multstore(:) integer, allocatable :: junk(:,:),itotf(:) integer, allocatable :: nb(:),mb(:),newmult(:),matb(:,:) integer, allocatable :: mats(:),matr(:),itp(:),ibo(:,:) integer, allocatable :: ma(:,:),notthere(:),numgroups(:) real*8, allocatable :: coords(:,:),radius(:),c(:,:) integer, allocatable :: ibf(:,:,:),itf(:,:),ngpf(:,:,:) integer newfrag,Level,natom,natomall,nbondso,nbonds,nffinal integer itfinal,icycle,nfrag,nafrag,nf,nbig3,nfstore,nhstore integer nocapsatall,nelim,nabitio,iterfinal,nfragm,numhbonds real*8 dtol end module fractdata
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/*! \file deleter.h \brief gsl_interp_accelとgsl_splineのデリータを宣言・定義したヘッダファイル Copyright © 2015 @dc1394 All Rights Reserved. This software is released under the BSD 2-Clause License. */ #ifndef _DELETER_H_ #define _DELETER_H_ #pragma once #include <gsl/gsl_errno.h> #include <gsl/gsl_spline.h> namespace getdata { //! A function. /*! gsl_interp_accelへのポインタを解放するラムダ式 \param acc gsl_interp_accelへのポインタ */ static auto const gsl_interp_accel_deleter = [](gsl_interp_accel * acc) { gsl_interp_accel_free(acc); }; //! A function. /*! gsl_splineへのポインタを解放するラムダ式 \param spline gsl_splineへのポインタ */ static auto const gsl_spline_deleter = [](gsl_spline * spline) { gsl_spline_free(spline); }; } #endif // _DELETER_H_
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# # Copyright (C) 2020 IBM. All Rights Reserved. # # See LICENSE.txt file in the root directory # of this source tree for licensing information. # import random from math import cos, isnan, pi, sin, sqrt from typing import Dict, Optional, Tuple import numpy as np import portion import torch from PIL import Image import vsrl.verifier.expr as vexpr from vsrl.rl.envs.render_helpers import paste_coordinates from vsrl.spaces import CompactSet from vsrl.symmap.symbolic_mapper import SymFeatExtractor from vsrl.utils.assets import get_image_path from ._utils import gen_separated_points from .env import Env REACHED_STEP_LIMIT = 4 MOVED_OFF_MAP = 3 REACHED_GOAL_HAZARD = 2 REACHED_GOAL = 1 NOT_DONE = 0 REACHED_HAZARD = -1 class PMGFSymFeatExtractor(SymFeatExtractor): agent_id = 0 hazard_id = 2 # TODO: make it easier for max_n_obstacles to stay in sync with PMGF def __init__(self, detector: torch.nn.Module, max_n_obstacles: int = 10): super().__init__(detector) self.max_n_obstacles = max_n_obstacles self._range = torch.nn.Parameter( torch.arange( PMGoalFinding._obs_start_idx, PMGoalFinding._obs_start_idx + 2 * max_n_obstacles, 2, ), requires_grad=False, ) def forward(self, imgs): """ The symbolic state vector has the following data in it at the given indices: [0, 1]: ego_x, ego_y [2, 3]: goal_x, goal_y (nan; we do detect this but it isn't used) [4]: theta (nan but we should try to estimate this at some point?) [5, 6]: v, w (nan) [7:]: hazard1_x, hazard1_y, hazard2_x, ... If a detection for `ego` is missing, (0, 0) will be used. For hazards, because the number could be variable, (nan, nan) is used if the number is less than max_n_obstacles. :param imgs: nchw :returns: n x d where d = 7 + 2 * max_n_obstacles """ img_idx, class_id, center_x, center_y, _ = super().forward(imgs) sym_feats = torch.full( (len(imgs), 7 + 2 * self.max_n_obstacles), float("nan"), device=imgs.device ) agent_idx = class_id == self.agent_id agent_img_idx = img_idx[agent_idx] hazard_idx = class_id == self.hazard_id hazard_img_idx = img_idx[hazard_idx] sym_feats[:, :2] = 0 # ensure no NaNs for agent location sym_feats[agent_img_idx, 0] = center_x[agent_idx] sym_feats[agent_img_idx, 1] = center_y[agent_idx] _, counts = torch.unique(hazard_img_idx, return_counts=True) col_idx = torch.cat([self._range[:c] for c in counts]) sym_feats[hazard_img_idx, col_idx] = center_x[hazard_idx] sym_feats[hazard_img_idx, col_idx + 1] = center_y[hazard_idx] return sym_feats class PMGoalFinding(Env): """ DSolve[odes = { x'[t] == v[t]*Cos[theta[t]], y'[t] == v[t]*Sin[theta[t]], v'[t] == a, theta'[t] == w, theta[0] == theta0, x[0] == x0, y[0] == y0, v[0] == v0 }, {x[t], y[t], v[t], theta[t]}, t] theta[t] -> theta0 + t w v[t] -> a t + v0, x[t] -> (1/(w^2))(w^2 x0 - a Cos[theta0] - v0 w Sin[theta0] + a Cos[theta0 + t w] + a t w Sin[theta0 + t w] + v0 w Sin[theta0 + t w]), y[t] -> (1/(w^2))(w^2 y0 + v0 w Cos[theta0] - a Sin[theta0] - a t w Cos[theta0 + t w] - v0 w Cos[theta0 + t w] + a Sin[theta0 + t w]) """ SymFeatClass = PMGFSymFeatExtractor # indices into self._state for certain parts of the state _ego_x_idx: int = 0 _ego_y_idx: int = 1 _goal_x_idx: int = 2 _goal_y_idx: int = 3 _theta_idx: int = 4 _sin_theta_idx = 5 _cos_theta_idx = 6 _v_idx: int = 7 _w_idx: int = 8 _obs_start_idx: int = 9 # index of first obstacle. from here on, the state is # (obs0_x, obs0_y, obs1_x, ...) for all num_obstacles obstacles def __init__( self, num_obstacles: int = 10, # TODO img_scale: int = 1, grayscale: bool = False, oracle_obs: bool = False, safe_sep: float = 1.0, extra_hazard_size: Optional[int] = None, walls: bool = False, dense_rewards: bool = False, randomize_goal: bool = False, ): """ :param extra_hazard_size: for debugging only; this renders hazards a second time with half alpha and with height and width increased by this amount. This is useful to visualize how far a safe agent has to stay away from hazards if it has a certain number of pixels of maximum detection error. :param walls: don't let the agent go off the screen; no boundary penalty :param dense_rewards: rewards for distance + angle to goal """ # load graphics scene = Image.open(get_image_path("top/bg.png")) self._pointer = Image.open(get_image_path("pointer.png")) # for debugging. self._egoimg = Image.open(get_image_path("top/blue.png")) self._hazardimg = Image.open(get_image_path("top/hazard.png")) self._goalimg = Image.open(get_image_path("top/goal.png")) img_names = ["_egoimg", "_hazardimg", "_goalimg", "_scene"] self.map_buffer = 12 self.T = 0.1 self.A = 30 # can change v by max 3 per step self.B = 30 # should be positive; accel range is [-B, A] self.min_w = -1 self.max_w = 1 self.max_v = 30 # max 3 pixels per step self._safe_sep = safe_sep self.num_obstacles = num_obstacles self._extra_hazard_size = extra_hazard_size self._walls = walls self._dense_rewards = dense_rewards self._randomize_goal = randomize_goal self.place_pointers = False # [v, cos(theta), sin(theta)] vector_obs_bounds = ([0, -1, -1], [self.max_v, 1, 1]) super().__init__( img_scale, grayscale, oracle_obs, scene, img_names, vector_obs_bounds=vector_obs_bounds, ) # _radius determines if a collision is happening. We'll use the sizes of the # images to directly compute when they overlap. assert self._hazardimg.size[0] == self._hazardimg.size[1] # not true for ego img, but width is larger, so radius is still okay # assert self._egoimg.size[0] == self._egoimg.size[1] assert self._goalimg.size[0] == self._hazardimg.size[0] self._radius = self._egoimg.size[0] / 2 + self._hazardimg.size[0] / 2 self._safe_sep += self._radius # If true, we'll place yellow dots at the midpoints of various objects. self._max_goal_dist = sqrt(self._width ** 2 + self._height ** 2) def _make_action_space(self) -> CompactSet: return CompactSet( { vexpr.Variable("w"): (self.min_w, self.max_w), # rotational velocity vexpr.Variable("a"): (-self.B, self.A), # translational acceleration } ) def _make_oracle_space(self) -> CompactSet: # make sure this stays in sync with the indices into the state array defined # in init ranges: Dict[vexpr.Variable, Tuple[float, float]] = { vexpr.Variable("ego_x"): ( 0 + self.map_buffer, self._width - self.map_buffer, ), vexpr.Variable("ego_y"): ( 0 + self.map_buffer, self._height - self.map_buffer, ), vexpr.Variable("goal_x"): ( 0 + self.map_buffer, self._width - self.map_buffer, ), vexpr.Variable("goal_y"): ( 0 + self.map_buffer, self._height - self.map_buffer, ), vexpr.Variable("theta"): (-2 * pi, 2 * pi), vexpr.Variable("sin_theta"): (-1, 1), vexpr.Variable("cos_theta"): (-1, 1), vexpr.Variable("v"): (0, self.max_v), vexpr.Variable("w"): (self.min_w, self.max_w), } # Add obstacles to the oracle space. for i in range(1, self.num_obstacles + 1): ranges[vexpr.Variable(f"obs{i}_x")] = ( 0 + self.map_buffer, self._width - self.map_buffer, ) ranges[vexpr.Variable(f"obs{i}_y")] = ( 0 + self.map_buffer, self._height - self.map_buffer, ) return CompactSet(ranges) def step(self, action: np.ndarray) -> Tuple[np.ndarray, float, bool, dict]: """ :param action: w, a """ if self._done: # TODO: make a custom exception for this; use it in all envs raise ValueError( "This episode has terminated; call reset before stepping again." ) assert action in self.action_space w, a = action v0 = self._state[self._v_idx] new_v = v0 + a * self.T # enforce the bounds on v ([0, 1]) by changing a. if new_v < 0: a = -v0 / self.T new_v = 0 elif new_v > self.max_v: a = (self.max_v - v0) / self.T new_v = self.max_v theta0 = self._state[self._theta_idx] sin_theta0 = self._state[self._sin_theta_idx] cos_theta0 = self._state[self._cos_theta_idx] new_state = self._state.copy() tw = self.T * w theta = theta0 + tw # keep theta in [-2 * pi, 2 * pi] if theta > 2 * pi: theta -= 2 * pi elif theta < -2 * pi: theta += 2 * pi cos_theta = cos(theta) sin_theta = sin(theta) new_state[self._w_idx] = w new_state[self._v_idx] += a * self.T new_state[self._theta_idx] = theta new_state[self._sin_theta_idx] = sin_theta new_state[self._cos_theta_idx] = cos_theta if w != 0: new_state[self._ego_x_idx] += (1 / w ** 2) * ( -a * cos_theta0 - v0 * w * sin_theta0 + a * cos_theta + a * tw * sin_theta + v0 * w * sin_theta ) new_state[self._ego_y_idx] += (1 / w ** 2) * ( v0 * w * cos_theta0 - a * sin_theta0 - a * tw * cos_theta - v0 * w * cos_theta + a * sin_theta ) else: new_state[self._ego_x_idx] += cos_theta0 * max( 0, v0 * self.T + a * self.T ** 2 / 2 ) new_state[self._ego_y_idx] += sin_theta0 * max( 0, v0 * self.T + a * self.T ** 2 / 2 ) if self._walls: # keep the agent in-bounds; no boundary penalties x = new_state[self._ego_x_idx] y = new_state[self._ego_y_idx] new_state[self._ego_x_idx] = min( max(self.map_buffer, x), self._width - self.map_buffer ) new_state[self._ego_y_idx] = min( max(self.map_buffer, y), self._height - self.map_buffer ) self._step += 1 reward, done_code = self._get_reward_and_done_code( self._state, action, new_state ) self._state = new_state self._done = done_code != NOT_DONE obs = self._get_obs(np.array([new_v, cos_theta, sin_theta], dtype=np.float32)) return ( obs, reward, self._done, { "done_reason": done_code, "unsafe": done_code in (REACHED_GOAL_HAZARD, REACHED_HAZARD), }, ) def _is_valid_state(self, state): return state in self.oracle_space def _final_state_description(self, done): if done == MOVED_OFF_MAP: return "moved off map" elif done == REACHED_GOAL_HAZARD: return "reached goal and hazard at the same time" elif done == REACHED_GOAL: return "reached goal and not currently touching any hazards" elif done == NOT_DONE: return "not done" elif done == REACHED_HAZARD: return ( f"crashed into a hazard at position {self._find_collision(self._state)}" ) elif done == REACHED_STEP_LIMIT: return f"Reached limit of {self.horizon:,} steps." else: return f"done, but not sure why. Done code was {done}" def _get_reward_and_done_code(self, state1, action, state2) -> Tuple[float, int]: """ :param state: :return: (reward, done_code). Use _final_state_description to interpret done_code. """ egox, egoy = state2[:2] vector_to_goal = state2[2:4] - state2[:2] dist_to_goal = sqrt(np.dot(vector_to_goal, vector_to_goal)) # if we have gamma = 0.99 then getting a constant reward c for H steps gives # reward < 100c. We want it to be better to go to the goal right away than to # get the distance reward from right next to the goal, so we make its maximum # value < 1 / 100 * goal reward. # or, to be careful, in case gamma = 1, we can make # max_dist_reward * H < goal_reward if self._dense_rewards: vector_to_goal /= dist_to_goal # normalize theta = state2[self._theta_idx] angle_to_goal = np.dot(vector_to_goal, np.array([cos(theta), sin(theta)])) # convert both rewards to [0, 1] then scale their sum dist_reward = 1 - dist_to_goal / self._max_goal_dist angle_reward = angle_to_goal / 2 + 0.5 reward = (dist_reward + angle_reward) / 20 else: reward = 0 at_goal = dist_to_goal <= self._radius is_colliding = self._collision(state2) if not ( self.map_buffer <= egox <= self._width - self.map_buffer and self.map_buffer <= egoy <= self._height - self.map_buffer ): return -1, MOVED_OFF_MAP if at_goal: if is_colliding: return 0, REACHED_GOAL_HAZARD return 10, REACHED_GOAL if is_colliding: return -1, REACHED_HAZARD if self._step >= self.horizon: return reward, REACHED_STEP_LIMIT return reward, NOT_DONE def _collision(self, state): return self._find_collision(state) is not None def _find_collision(self, state) -> Optional[Tuple[int, int]]: egox = state[self._ego_x_idx] egoy = state[self._ego_y_idx] for i in range(self.num_obstacles): xidx = self._obs_start_idx + 2 * i yidx = xidx + 1 ox, oy = state[xidx], state[yidx] if self._circle_contains(egox, egoy, ox, oy, self._radius): return ox, oy return None def _circle_contains(self, x, y, c_x, c_y, c_radius): return (x - c_x) ** 2 + (y - c_y) ** 2 <= c_radius ** 2 def reset(self) -> np.ndarray: state = np.empty_like(self._state) angle = random.random() * 2 * pi if self._randomize_goal: initial_points = None else: initial_points = np.array([[3 * self._width // 4, 3 * self._height // 4]]) # place objects so they don't collide points = gen_separated_points( self.num_obstacles + 2, sep=self._hazardimg.width, lower_bounds=np.array([self.map_buffer, self.map_buffer]), upper_bounds=np.array( [self._width - self.map_buffer, self._height - self.map_buffer] ), initial_points=initial_points, ) state[self._w_idx] = 0 state[self._v_idx] = 0 state[self._theta_idx] = angle state[self._sin_theta_idx] = sin(angle) state[self._cos_theta_idx] = cos(angle) state[self._goal_x_idx] = points[0, 0] state[self._goal_y_idx] = points[0, 1] state[self._ego_x_idx] = points[1, 0] state[self._ego_y_idx] = points[1, 1] state[self._obs_start_idx :] = points[2:].ravel() assert self._is_valid_state(state), self.oracle_space.to_state(state) self._state = state self._done = False self._step = 0 self._prev_frame.fill(0) obs = self._get_obs(np.array([0, cos(angle), sin(angle)], dtype=np.float32)) return obs def _rotated_ego_img(self, state: np.ndarray) -> Image: theta = state[self._theta_idx] # the image is facing downwards, so we need a 90 degree offset angle = 90 + theta * 180 / pi ego_rotated = self._egoimg.rotate(angle) ego_rotated.mask = self._egoimg.mask.rotate(angle) return ego_rotated def render(self) -> Image: rotated_ego = self._rotated_ego_img(self._state) scene = self._scene.copy() for i in range(self.num_obstacles): xidx = self._obs_start_idx + 2 * i yidx = xidx + 1 if self._extra_hazard_size is not None: shape = ( self._hazardimg.width + self._extra_hazard_size, self._hazardimg.height + self._extra_hazard_size, ) img = self._hazardimg.resize(shape) mask = self._hazardimg.mask.resize(shape) mask = Image.fromarray( ((np.asarray(mask) / 2)).astype(np.uint8), mode="L" ) scene.paste( img, paste_coordinates( img, self._state[xidx], self._height - self._state[yidx], ), mask=mask, ) scene.paste( self._hazardimg, paste_coordinates( self._hazardimg, self._state[xidx], self._height - self._state[yidx] ), mask=self._hazardimg.mask, ) if self.place_pointers: scene.paste( self._pointer, (int(self._state[xidx]), self._height - int(self._state[yidx]),), ) scene.paste( self._goalimg, paste_coordinates( self._goalimg, self._state[self._goal_x_idx], self._height - self._state[self._goal_y_idx], ), mask=self._goalimg.mask, ) scene.paste( rotated_ego, paste_coordinates( rotated_ego, self._state[self._ego_x_idx], self._height - self._state[self._ego_y_idx], ), mask=rotated_ego.mask, ) if self.place_pointers: scene.paste( self._pointer, ( int(self._state[self._ego_x_idx]), self._height - int(self._state[self._ego_y_idx]), ), ) return scene def state_constants(self): return { vexpr.Variable("A"): vexpr.Number(self.A), vexpr.Variable("B"): vexpr.Number(self.B), vexpr.Variable("T"): vexpr.Number(self.T), vexpr.Variable("safe_sep"): vexpr.Number(self._safe_sep), vexpr.Variable("min_w"): vexpr.Number(self.min_w), vexpr.Variable("max_w"): vexpr.Number(self.max_w), } @staticmethod def constraint_func(action, sym_feats, B, T, safe_sep): """ L-inf norm version: (doesn't take direction of the agent into account) ( abs(x - ox) > v^2 / (2 * B) + (A / B + 1) * (A / 2 * T^2 + T * v) | abs(y - oy) > v^2 / (2 * B) + (A / B + 1) * (A / 2 * T^2 + T * v) ) (`A` here is the current desired acceleration, not the max acceleration) Note that the environment bounds the velocity to [0, max_v] by having the acceleration action not set the acceleration directly if the velocity would go out of bounds. The constraint doesn't take this into account, so some acceleration actions might be deemed unsafe which actually would be safe to take (but the actual acceleration used in the environment step would be different than the action in such cases). The distance in the constraint is equivalent to: pos_diff = v * T + a / 2 * T ** 2 # after taking one step with accel of `a` v_new = v + a * T stop_time = v_new / B # stop time / distance after one step stop_dist = v_new * stop_time + -B / 2 * stop_time ** 2 safe_dist = pos_diff + stop_dist WARNING: pos_diff could be negative here, but we don't allow negative v. If this presents an issue, we should modify the constraint to take into account how the environment changes `a` if `v` would become negative (or change the environment to make `T` smaller in such cases instead of changing `a`. I worry that might make the learning more difficult, though, especially if the agent repeatedly tries to use a very negative `a` when `v` is already nearly 0.) """ w, a = action x, y = sym_feats[:2] v = sym_feats[PMGoalFinding._v_idx] safe_dist = ( (v ** 2 / (2 * B)) + ((a / B + 1) * (a / 2 * T ** 2 + T * v)) ) + safe_sep for i in range(PMGoalFinding._obs_start_idx, len(sym_feats), 2): ox = sym_feats[i] if isnan(ox): # once one object is nan, all others will be break oy = sym_feats[i + 1] if abs(x - ox) < safe_dist and abs(y - oy) < safe_dist: return False return True @staticmethod def constrained_sample(sym_feats, min_w, max_w, B, A, T, safe_sep): """ w is unconstrained (at least with the l-inf norm constraint; if we use a less conservative constraint, we'll have to deal with w too) The sampling here is more complex because the possible values for acc are the intersection of possible values for each hazard's constraint and each hazard has a union of two terms as a constraint. There will only ever be two compact ranges that contain the safe space for all objects considered so far, but we have to track these carefully. Start with the constraints (shown for x but almost identical for y): abs(x - ox) > v^2 / (2 * B) + (A / B + 1) * (A / 2 * T^2 + T * v) then write as a quadratic in A: 0 > A^2 * a + A * b + (c - abs(x - ox)) a = T^2 / (2 * B) b = T * V / B + T^2 / 2 c = T * v + v^2 / (2 * B) Use the quadratic formula to find the zeros (only abs(x - ox) has to change for each object and for x / y). a > 0, so the area between the zeros is the safe set for A (unioned between x and y, intersected over all hazards). """ w = min_w + (max_w - min_w) * random.random() x, y = sym_feats[:2] v = sym_feats[PMGoalFinding._v_idx] a = T ** 2 / (2 * B) b = T * v / B + T ** 2 / 2 c0 = T * v + v ** 2 / (2 * B) + safe_sep safe_sets = portion.closed(-B, A) for i in range(PMGoalFinding._obs_start_idx, len(sym_feats), 2): ox = sym_feats[i] if isnan(ox): break oy = sym_feats[i + 1] c_x = c0 - abs(x - ox) c_y = c0 - abs(y - oy) d = b ** 2 - 4 * a * c_x if d < 0: # fallback action is -B z11, z12 = -B, -B else: d = sqrt(d) z12 = (-b + d) / (2 * a) z11 = (-b - d) / (2 * a) z11, z12 = (z11, z12) if z11 < z12 else (z12, z11) d = b ** 2 - 4 * a * c_y if d < 0: z21, z22 = -B, -B else: d = sqrt(d) z22 = (-b + d) / (2 * a) z21 = (-b - d) / (2 * a) z21, z22 = (z21, z22) if z21 < z22 else (z22, z21) safe_sets &= portion.closed(z11, z12) | portion.closed(z21, z22) if safe_sets.empty: return np.array([max_w, -B], dtype=np.float32) volumes = tuple(s.upper - s.lower for s in safe_sets) safe_set = random.choices(safe_sets, weights=volumes)[0] acc = safe_set.lower + (safe_set.upper - safe_set.lower) * random.random() return np.array([w, acc], dtype=np.float32)
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c***CALCF********************** subroutine calcF(option,iwell,iprod) implicit none include 'cdparams.fh' include 'cdrange.fh' include 'cdrates.fh' include 'cdlimfit.fh' include 'cdffunc.fh' c local variables character*8 option integer it,ip,iwell,iprod real*8 RKlind,concM c end declarations do 500 it = 1,ntemps do 500 ip = 1,npres concM = pres(it,ip) / (82.1d0*temp(it)) c get lindemann forms (depends on depth of well and c whether stabilization or product channel); also do c special dissoc case if (addTerm) then Pr(it,ip) = (RK(iwell,iprod,it,0) + 2 RK(iwell,iprod,it,-1)/concM) 3 *concM**nPr(iwell,iprod) / 4 RK(iwell,iprod,it,npres+1) c or, do general case else Pr(it,ip) = RK(iwell,iprod,it,0) 2 *concM**nPr(iwell,iprod) / 3 RK(iwell,iprod,it,npres+1) endif RKlind = RK(iwell,iprod,it,npres+1) 2 *concM**nRKinf(iwell,iprod) 3 *Pr(it,ip) / (1.d0 + Pr(it,ip)) Fcalc(it,ip) = RK(iwell,iprod,it,ip) / RKlind 500 continue return end c***FOUTPUT************************ subroutine Foutput(option,lfout,iwell,iprod) c fill out output files with Fcalc vs T, P implicit none include 'cdparams.fh' include 'cdwell0.fh' include 'cdlabels.fh' include 'cdrange.fh' include 'cdffunc.fh' c local variables character option*8,RCname*20 integer it,ip,iwell,iprod integer lfout,ipmax real*8 Flognm character tab c end declarations tab = char(9) RCname = PDname(inpwell,inpchan) write(lfout,50) option,inpwell,iwell,iprod, 2 RCname,PDname(iwell,iprod) 50 format(//,1x,a,'(',i2,') -> ',i2,':',i2,' ',a,' = ',a) write(lfout,150) tab,tab,tab,tab,tab 150 format(/,1x,' T (K) ',a,' log P ',a,' log Pr',a,' Fcalc ', 2 a,' -ln F ',a,'ln F |n') do 350 it = 1,ntemps write(lfout,270) tab,tab,tab,temp(it),tab,temp(it),tab,temp(it) 270 format(' ',a,a,3(a,f5.0,' K')) c get lineshape maxima ipmax = 1 do 200 ip = 1,npres if (Fcalc(it,ip).le.Fcalc(it,ipmax)) ipmax = ip 200 continue Flognm = -dlog(Fcalc(it,ipmax)) c make sure there are no divide overflows if (Flognm.gt.0) then do 300 ip = 1,npres write(lfout,280) temp(it),tab,dlog10(pres(it,ip)),tab, 2 dlog10(Pr(it,ip)),tab,Fcalc(it,ip),tab, 3 -dlog(Fcalc(it,ip)),tab,-dlog(Fcalc(it,ip))/Flognm 280 format(' ',f7.2,a,f7.3,a,f7.3,a,f7.4,a,f7.4,a,f7.4) 300 continue else do 320 ip = 1,npres write(lfout,280) temp(it),tab,dlog10(pres(it,ip)),tab, 2 dlog10(Pr(it,ip)),tab,Fcalc(it,ip),tab, 3 -dlog(Fcalc(it,ip)) 320 continue endif 350 continue return end c***TOUTPUT************************ subroutine Toutput(option,ltout,iwell,iprod) c fill out output files with Fcalc vs T, P implicit none include 'cdparams.fh' include 'cdwell0.fh' include 'cdlabels.fh' include 'cdrange.fh' include 'cdffunc.fh' c local variables character option*8,RCname*20 integer it,ip,iwell,iprod integer ltout,ipmax,ipleft,ipright real*8 slope,PRLlog,PRRlog,PRsum,PRdif character tab c end declarations tab = char(9) RCname = PDname(inpwell,inpchan) write(ltout,50) option,inpwell,iwell,iprod, 2 RCname,PDname(iwell,iprod) 50 format(//,1x,a,'(',i2,') -> ',i2,':',i2,' ',a,' = ',a) write(ltout,160) tab,tab,tab,tab,tab,tab 160 format(/,1x,' T (K) ',a,' log P ',a,' log Pr',a,' Fcalc ', 2 a,' -ln F ',a,'log Pr+',a,'log Pr-') do 400 it = 1,ntemps c get lineshape maxima (F minima) ipmax = 1 do 200 ip = 1,npres if (Fcalc(it,ip).le.Fcalc(it,ipmax)) ipmax = ip 200 continue c proceed if Fmin is not too close to unity (otherwise problems) if (-dlog10(Fcalc(it,ipmax)).gt.1.d-4) then c get lineshape left and right HWHM ipleft = 1 ipright = npres do 230 ip = 1,npres if ((dlog(Fcalc(it,ip))/dlog(Fcalc(it,ipmax)).lt.0.5d0) 2 .and.(ip.lt.ipmax)) ipleft = ip if ((dlog(Fcalc(it,ip))/dlog(Fcalc(it,ipmax)).gt.0.5d0) 2 .and.(ip.gt.ipmax)) ipright = ip 230 continue c we do some interpolation (could be trouble if F is constant) slope = (dlog10(PR(it,ipleft+1))-dlog10(PR(it,ipleft)))/ 2 (dlog(Fcalc(it,ipleft+1))-dlog(Fcalc(it,ipleft))) PRLlog = dlog10(PR(it,ipleft))+slope* 2 (0.5d0*dlog(Fcalc(it,ipmax))-dlog(Fcalc(it,ipleft))) if (ipright.eq.npres) ipright = npres-1 slope = (dlog10(PR(it,ipright+1))-dlog10(PR(it,ipright)))/ 2 (dlog(Fcalc(it,ipright+1))-dlog(Fcalc(it,ipright))) PRRlog = dlog10(PR(it,ipright))+slope* 2 (0.5d0*dlog(Fcalc(it,ipmax))-dlog(Fcalc(it,ipright))) c note PRLlog is negative PRsum = PRRlog - PRLlog PRdif = PRRlog + PRLlog write(ltout,250) temp(it),tab,dlog10(pres(it,ipmax)),tab, 2 dlog10(PR(it,ipmax)),tab,Fcalc(it,ipmax),tab, 3 -dlog(Fcalc(it,ipmax)),tab,PRsum,tab,PRdif 250 format(' ',f7.2,a,f7.3,a,f7.3,a,f7.4,a,f7.4,a,f7.3,a,f7.3) else write(ltout,250) temp(it),tab,dlog10(pres(it,ipmax)),tab, 2 dlog10(PR(it,ipmax)),tab,Fcalc(it,ipmax),tab, 3 -dlog(Fcalc(it,ipmax)) endif 400 continue return end
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""" Basic Equations for Solid Mechanics ################################### References ---------- .. [Gray2001] J. P. Gray et al., "SPH elastic dynamics", Computer Methods in Applied Mechanics and Engineering, 190 (2001), pp 6641 - 6662. """ from pysph.sph.equation import Equation from pysph.sph.scheme import Scheme from textwrap import dedent from pysph.base.utils import get_particle_array import numpy as np def get_bulk_mod(G, nu): ''' Get the bulk modulus from shear modulus and Poisson ratio ''' return 2.0 * G * (1 + nu) / (3 * (1 - 2 * nu)) def get_speed_of_sound(E, nu, rho0): return np.sqrt(E / (3 * (1. - 2 * nu) * rho0)) def get_shear_modulus(E, nu): return E / (2. * (1. + nu)) def get_particle_array_elastic_dynamics(constants=None, **props): """Return a particle array for the Standard SPH formulation of solids. Parameters ---------- constants : dict Dictionary of constants Other Parameters ---------------- props : dict Additional keywords passed are set as the property arrays. See Also -------- get_particle_array """ solids_props = [ 'cs', 'e', 'v00', 'v01', 'v02', 'v10', 'v11', 'v12', 'v20', 'v21', 'v22', 'r00', 'r01', 'r02', 'r11', 'r12', 'r22', 's00', 's01', 's02', 's11', 's12', 's22', 'as00', 'as01', 'as02', 'as11', 'as12', 'as22', 's000', 's010', 's020', 's110', 's120', 's220', 'arho', 'au', 'av', 'aw', 'ax', 'ay', 'az', 'ae', 'rho0', 'u0', 'v0', 'w0', 'x0', 'y0', 'z0', 'e0' ] # set wdeltap to -1. Which defaults to no self correction consts = { 'wdeltap': -1., 'n': 4, 'G': 0.0, 'E': 0.0, 'nu': 0.0, 'rho_ref': 1000.0, 'c0_ref': 0.0 } if constants: consts.update(constants) pa = get_particle_array(constants=consts, additional_props=solids_props, **props) # set the shear modulus G pa.G[0] = get_shear_modulus(pa.E[0], pa.nu[0]) # set the speed of sound pa.cs = np.ones_like(pa.x) * get_speed_of_sound(pa.E[0], pa.nu[0], pa.rho_ref[0]) pa.c0_ref[0] = get_speed_of_sound(pa.E[0], pa.nu[0], pa.rho_ref[0]) # default property arrays to save out. pa.set_output_arrays([ 'x', 'y', 'z', 'u', 'v', 'w', 'rho', 'm', 'h', 'pid', 'gid', 'tag', 'p' ]) return pa class IsothermalEOS(Equation): r""" Compute the pressure using the Isothermal equation of state: :math:`p = p_0 + c_0^2(\rho_0 - \rho)` """ def loop(self, d_idx, d_rho, d_p, d_c0_ref, d_rho_ref): d_p[d_idx] = d_c0_ref[0] * d_c0_ref[0] * (d_rho[d_idx] - d_rho_ref[0]) class MonaghanArtificialStress(Equation): r"""**Artificial stress to remove tensile instability** The dispersion relations in [Gray2001] are used to determine the different components of :math:`R`. Angle of rotation for particle :math:`a` .. math:: \tan{2 \theta_a} = \frac{2\sigma_a^{xy}}{\sigma_a^{xx} - \sigma_a^{yy}} In rotated frame, the new components of the stress tensor are .. math:: \bar{\sigma}_a^{xx} = \cos^2{\theta_a} \sigma_a^{xx} + 2\sin{\theta_a} \cos{\theta_a}\sigma_a^{xy} + \sin^2{\theta_a}\sigma_a^{yy}\\ \bar{\sigma}_a^{yy} = \sin^2{\theta_a} \sigma_a^{xx} + 2\sin{\theta_a} \cos{\theta_a}\sigma_a^{xy} + \cos^2{\theta_a}\sigma_a^{yy} Components of :math:`R` in rotated frame: .. math:: \bar{R}_{a}^{xx}=\begin{cases}-\epsilon\frac{\bar{\sigma}_{a}^{xx}} {\rho^{2}} & \bar{\sigma}_{a}^{xx}>0\\0 & \bar{\sigma}_{a}^{xx}\leq0 \end{cases}\\ \bar{R}_{a}^{yy}=\begin{cases}-\epsilon\frac{\bar{\sigma}_{a}^{yy}} {\rho^{2}} & \bar{\sigma}_{a}^{yy}>0\\0 & \bar{\sigma}_{a}^{yy}\leq0 \end{cases} Components of :math:`R` in original frame: .. math:: R_a^{xx} = \cos^2{\theta_a} \bar{R}_a^{xx} + \sin^2{\theta_a} \bar{R}_a^{yy}\\ R_a^{yy} = \sin^2{\theta_a} \bar{R}_a^{xx} + \cos^2{\theta_a} \bar{R}_a^{yy}\\ R_a^{xy} = \sin{\theta_a} \cos{\theta_a}\left(\bar{R}_a^{xx} - \bar{R}_a^{yy}\right) """ def __init__(self, dest, sources, eps=0.3): r""" Parameters ---------- eps : float constant """ self.eps = eps super(MonaghanArtificialStress, self).__init__(dest, sources) def _cython_code_(self): code = dedent(""" cimport cython from pysph.base.linalg3 cimport eigen_decomposition from pysph.base.linalg3 cimport transform_diag_inv """) return code def loop(self, d_idx, d_rho, d_p, d_s00, d_s01, d_s02, d_s11, d_s12, d_s22, d_r00, d_r01, d_r02, d_r11, d_r12, d_r22): r"""Compute the stress terms Parameters ---------- d_sxx : DoubleArray Stress Tensor Deviatoric components (Symmetric) d_rxx : DoubleArray Artificial stress components (Symmetric) """ # 1/rho_a^2 rhoi = d_rho[d_idx] rhoi21 = 1. / (rhoi * rhoi) ## Matrix and vector declarations ## # Matrix of Eigenvectors (columns) R = declare('matrix((3,3))') # Artificial stress in the original coordinates Rab = declare('matrix((3,3))') # Stress tensor with pressure. S = declare('matrix((3,3))') # Eigenvalues V = declare('matrix((3,))') # Artificial stress in principle direction rd = declare('matrix((3,))') # get the diagonal terms for the stress tensor adding pressure S[0][0] = d_s00[d_idx] - d_p[d_idx] S[1][1] = d_s11[d_idx] - d_p[d_idx] S[2][2] = d_s22[d_idx] - d_p[d_idx] S[1][2] = d_s12[d_idx] S[2][1] = d_s12[d_idx] S[0][2] = d_s02[d_idx] S[2][0] = d_s02[d_idx] S[0][1] = d_s01[d_idx] S[1][0] = d_s01[d_idx] # compute the principle stresses eigen_decomposition(S, R, cython.address(V[0])) # artificial stress corrections if V[0] > 0: rd[0] = -self.eps * V[0] * rhoi21 else: rd[0] = 0 if V[1] > 0: rd[1] = -self.eps * V[1] * rhoi21 else: rd[1] = 0 if V[2] > 0: rd[2] = -self.eps * V[2] * rhoi21 else: rd[2] = 0 # transform artificial stresses in original frame transform_diag_inv(cython.address(rd[0]), R, Rab) # store the values d_r00[d_idx] = Rab[0][0] d_r11[d_idx] = Rab[1][1] d_r22[d_idx] = Rab[2][2] d_r12[d_idx] = Rab[1][2] d_r02[d_idx] = Rab[0][2] d_r01[d_idx] = Rab[0][1] class MomentumEquationWithStress(Equation): r"""**Momentum Equation with Artificial Stress** .. math:: \frac{D\vec{v_a}^i}{Dt} = \sum_b m_b\left(\frac{\sigma_a^{ij}}{\rho_a^2} +\frac{\sigma_b^{ij}}{\rho_b^2} + R_{ab}^{ij}f^n \right)\nabla_a W_{ab} where .. math:: f_{ab} = \frac{W(r_{ab})}{W(\Delta p)}\\ R_{ab}^{ij} = R_{a}^{ij} + R_{b}^{ij} """ def initialize(self, d_idx, d_au, d_av, d_aw): d_au[d_idx] = 0.0 d_av[d_idx] = 0.0 d_aw[d_idx] = 0.0 def loop(self, d_idx, s_idx, d_rho, s_rho, s_m, d_p, s_p, d_s00, d_s01, d_s02, d_s11, d_s12, d_s22, s_s00, s_s01, s_s02, s_s11, s_s12, s_s22, d_r00, d_r01, d_r02, d_r11, d_r12, d_r22, s_r00, s_r01, s_r02, s_r11, s_r12, s_r22, d_au, d_av, d_aw, d_wdeltap, d_n, WIJ, DWIJ): pa = d_p[d_idx] pb = s_p[s_idx] rhoa = d_rho[d_idx] rhob = s_rho[s_idx] rhoa21 = 1. / (rhoa * rhoa) rhob21 = 1. / (rhob * rhob) s00a = d_s00[d_idx] s01a = d_s01[d_idx] s02a = d_s02[d_idx] s10a = d_s01[d_idx] s11a = d_s11[d_idx] s12a = d_s12[d_idx] s20a = d_s02[d_idx] s21a = d_s12[d_idx] s22a = d_s22[d_idx] s00b = s_s00[s_idx] s01b = s_s01[s_idx] s02b = s_s02[s_idx] s10b = s_s01[s_idx] s11b = s_s11[s_idx] s12b = s_s12[s_idx] s20b = s_s02[s_idx] s21b = s_s12[s_idx] s22b = s_s22[s_idx] r00a = d_r00[d_idx] r01a = d_r01[d_idx] r02a = d_r02[d_idx] r10a = d_r01[d_idx] r11a = d_r11[d_idx] r12a = d_r12[d_idx] r20a = d_r02[d_idx] r21a = d_r12[d_idx] r22a = d_r22[d_idx] r00b = s_r00[s_idx] r01b = s_r01[s_idx] r02b = s_r02[s_idx] r10b = s_r01[s_idx] r11b = s_r11[s_idx] r12b = s_r12[s_idx] r20b = s_r02[s_idx] r21b = s_r12[s_idx] r22b = s_r22[s_idx] # Add pressure to the deviatoric components s00a = s00a - pa s00b = s00b - pb s11a = s11a - pa s11b = s11b - pb s22a = s22a - pa s22b = s22b - pb # compute the kernel correction term # if wdeltap is less than zero then no correction # needed if d_wdeltap[0] > 0.: fab = WIJ / d_wdeltap[0] fab = pow(fab, d_n[0]) art_stress00 = fab * (r00a + r00b) art_stress01 = fab * (r01a + r01b) art_stress02 = fab * (r02a + r02b) art_stress10 = art_stress01 art_stress11 = fab * (r11a + r11b) art_stress12 = fab * (r12a + r12b) art_stress20 = art_stress02 art_stress21 = art_stress12 art_stress22 = fab * (r22a + r22b) else: art_stress00 = 0.0 art_stress01 = 0.0 art_stress02 = 0.0 art_stress10 = art_stress01 art_stress11 = 0.0 art_stress12 = 0.0 art_stress20 = art_stress02 art_stress21 = art_stress12 art_stress22 = 0.0 # compute accelerations mb = s_m[s_idx] d_au[d_idx] += ( mb * (s00a * rhoa21 + s00b * rhob21 + art_stress00) * DWIJ[0] + mb * (s01a * rhoa21 + s01b * rhob21 + art_stress01) * DWIJ[1] + mb * (s02a * rhoa21 + s02b * rhob21 + art_stress02) * DWIJ[2]) d_av[d_idx] += ( mb * (s10a * rhoa21 + s10b * rhob21 + art_stress10) * DWIJ[0] + mb * (s11a * rhoa21 + s11b * rhob21 + art_stress11) * DWIJ[1] + mb * (s12a * rhoa21 + s12b * rhob21 + art_stress12) * DWIJ[2]) d_aw[d_idx] += ( mb * (s20a * rhoa21 + s20b * rhob21 + art_stress20) * DWIJ[0] + mb * (s21a * rhoa21 + s21b * rhob21 + art_stress21) * DWIJ[1] + mb * (s22a * rhoa21 + s22b * rhob21 + art_stress22) * DWIJ[2]) class HookesDeviatoricStressRate(Equation): r""" Rate of change of stress .. math:: \frac{dS^{ij}}{dt} = 2\mu\left(\epsilon^{ij} - \frac{1}{3}\delta^{ij} \epsilon^{ij}\right) + S^{ik}\Omega^{jk} + \Omega^{ik}S^{kj} where .. math:: \epsilon^{ij} = \frac{1}{2}\left(\frac{\partial v^i}{\partial x^j} + \frac{\partial v^j}{\partial x^i}\right)\\ \Omega^{ij} = \frac{1}{2}\left(\frac{\partial v^i}{\partial x^j} - \frac{\partial v^j}{\partial x^i} \right) """ def initialize(self, d_idx, d_as00, d_as01, d_as02, d_as11, d_as12, d_as22): d_as00[d_idx] = 0.0 d_as01[d_idx] = 0.0 d_as02[d_idx] = 0.0 d_as11[d_idx] = 0.0 d_as12[d_idx] = 0.0 d_as22[d_idx] = 0.0 def loop(self, d_idx, d_s00, d_s01, d_s02, d_s11, d_s12, d_s22, d_v00, d_v01, d_v02, d_v10, d_v11, d_v12, d_v20, d_v21, d_v22, d_as00, d_as01, d_as02, d_as11, d_as12, d_as22, d_G): v00 = d_v00[d_idx] v01 = d_v01[d_idx] v02 = d_v02[d_idx] v10 = d_v10[d_idx] v11 = d_v11[d_idx] v12 = d_v12[d_idx] v20 = d_v20[d_idx] v21 = d_v21[d_idx] v22 = d_v22[d_idx] s00 = d_s00[d_idx] s01 = d_s01[d_idx] s02 = d_s02[d_idx] s10 = d_s01[d_idx] s11 = d_s11[d_idx] s12 = d_s12[d_idx] s20 = d_s02[d_idx] s21 = d_s12[d_idx] s22 = d_s22[d_idx] # strain rate tensor is symmetric eps00 = v00 eps01 = 0.5 * (v01 + v10) eps02 = 0.5 * (v02 + v20) eps10 = eps01 eps11 = v11 eps12 = 0.5 * (v12 + v21) eps20 = eps02 eps21 = eps12 eps22 = v22 # rotation tensor is asymmetric omega00 = 0.0 omega01 = 0.5 * (v01 - v10) omega02 = 0.5 * (v02 - v20) omega10 = -omega01 omega11 = 0.0 omega12 = 0.5 * (v12 - v21) omega20 = -omega02 omega21 = -omega12 omega22 = 0.0 tmp = 2.0 * d_G[0] trace = 1.0 / 3.0 * (eps00 + eps11 + eps22) # S_00 d_as00[d_idx] = tmp*( eps00 - trace ) + \ ( s00*omega00 + s01*omega01 + s02*omega02) + \ ( s00*omega00 + s10*omega01 + s20*omega02) # S_01 d_as01[d_idx] = tmp*(eps01) + \ ( s00*omega10 + s01*omega11 + s02*omega12) + \ ( s01*omega00 + s11*omega01 + s21*omega02) # S_02 d_as02[d_idx] = tmp*eps02 + \ (s00*omega20 + s01*omega21 + s02*omega22) + \ (s02*omega00 + s12*omega01 + s22*omega02) # S_11 d_as11[d_idx] = tmp*( eps11 - trace ) + \ (s10*omega10 + s11*omega11 + s12*omega12) + \ (s01*omega10 + s11*omega11 + s21*omega12) # S_12 d_as12[d_idx] = tmp*eps12 + \ (s10*omega20 + s11*omega21 + s12*omega22) + \ (s02*omega10 + s12*omega11 + s22*omega12) # S_22 d_as22[d_idx] = tmp*(eps22 - trace) + \ (s20*omega20 + s21*omega21 + s22*omega22) + \ (s02*omega20 + s12*omega21 + s22*omega22) class EnergyEquationWithStress(Equation): def __init__(self, dest, sources, alpha=1.0, beta=1.0, eta=0.01): self.alpha = float(alpha) self.beta = float(beta) self.eta = float(eta) super(EnergyEquationWithStress, self).__init__(dest, sources) def initialize(self, d_idx, d_ae): d_ae[d_idx] = 0.0 def loop(self, d_idx, s_idx, s_m, d_rho, s_rho, d_p, s_p, d_cs, s_cs, d_ae, XIJ, VIJ, DWIJ, HIJ, R2IJ, RHOIJ1): rhoa = d_rho[d_idx] ca = d_cs[d_idx] pa = d_p[d_idx] rhob = s_rho[s_idx] cb = s_cs[s_idx] pb = s_p[s_idx] mb = s_m[s_idx] rhoa2 = 1. / (rhoa * rhoa) rhob2 = 1. / (rhob * rhob) # artificial viscosity vijdotxij = VIJ[0] * XIJ[0] + VIJ[1] * XIJ[1] + VIJ[2] * XIJ[2] piij = 0.0 if vijdotxij < 0: cij = 0.5 * (d_cs[d_idx] + s_cs[s_idx]) muij = (HIJ * vijdotxij) / (R2IJ + self.eta * self.eta * HIJ * HIJ) piij = -self.alpha * cij * muij + self.beta * muij * muij piij = piij * RHOIJ1 vijdotdwij = VIJ[0] * DWIJ[0] + VIJ[1] * DWIJ[1] + VIJ[2] * DWIJ[2] # thermal energy contribution d_ae[d_idx] += 0.5 * mb * (pa * rhoa2 + pb * rhob2 + piij) def post_loop(self, d_idx, d_rho, d_s00, d_s01, d_s02, d_s11, d_s12, d_s22, d_v00, d_v01, d_v02, d_v10, d_v11, d_v12, d_v20, d_v21, d_v22, d_ae): # particle density rhoa = d_rho[d_idx] # deviatoric stress rate (symmetric) s00a = d_s00[d_idx] s01a = d_s01[d_idx] s02a = d_s02[d_idx] s10a = d_s01[d_idx] s11a = d_s11[d_idx] s12a = d_s12[d_idx] s20a = d_s02[d_idx] s21a = d_s12[d_idx] s22a = d_s22[d_idx] # strain rate tensor (symmetric) eps00 = d_v00[d_idx] eps01 = 0.5 * (d_v01[d_idx] + d_v10[d_idx]) eps02 = 0.5 * (d_v02[d_idx] + d_v20[d_idx]) eps10 = eps01 eps11 = d_v11[d_idx] eps12 = 0.5 * (d_v12[d_idx] + d_v21[d_idx]) eps20 = eps02 eps21 = eps12 eps22 = d_v22[d_idx] # energy accelerations #sdoteij = s00a*eps00 + s01a*eps01 + s10a*eps10 + s11a*eps11 sdoteij = (s00a * eps00 + s01a * eps01 + s02a * eps02 + s10a * eps10 + s11a * eps11 + s12a * eps12 + s20a * eps20 + s21a * eps21 + s22a * eps22) d_ae[d_idx] += 1. / rhoa * sdoteij class ElasticSolidsScheme(Scheme): def __init__(self, elastic_solids, solids, dim, artificial_stress_eps=0.3, xsph_eps=0.5, alpha=1.0, beta=1.0): self.elastic_solids = elastic_solids self.solids = solids self.dim = dim self.solver = None self.alpha = alpha self.beta = beta self.xsph_eps = xsph_eps self.artificial_stress_eps = artificial_stress_eps def get_equations(self): from pysph.sph.equation import Group from pysph.sph.basic_equations import ( ContinuityEquation, MonaghanArtificialViscosity, XSPHCorrection, VelocityGradient2D) from pysph.sph.solid_mech.basic import ( IsothermalEOS, MomentumEquationWithStress, HookesDeviatoricStressRate, MonaghanArtificialStress) equations = [] g1 = [] all = self.solids + self.elastic_solids for elastic_solid in self.elastic_solids: g1.append( # p IsothermalEOS(elastic_solid, sources=None)) g1.append( # vi,j : requires properties v00, v01, v10, v11 VelocityGradient2D(dest=elastic_solid, sources=all)) g1.append( # rij : requires properties r00, r01, r02, r11, r12, r22, # s00, s01, s02, s11, s12, s22 MonaghanArtificialStress(dest=elastic_solid, sources=None, eps=self.artificial_stress_eps)) equations.append(Group(equations=g1)) g2 = [] for elastic_solid in self.elastic_solids: g2.append(ContinuityEquation(dest=elastic_solid, sources=all), ) g2.append( # au, av MomentumEquationWithStress(dest=elastic_solid, sources=all), ) g2.append( # au, av MonaghanArtificialViscosity(dest=elastic_solid, sources=all, alpha=self.alpha, beta=self.beta), ) g2.append( # a_s00, a_s01, a_s11 HookesDeviatoricStressRate(dest=elastic_solid, sources=None), ) g2.append( # ax, ay, az XSPHCorrection(dest=elastic_solid, sources=[elastic_solid], eps=self.xsph_eps), ) equations.append(Group(g2)) return equations def configure_solver(self, kernel=None, integrator_cls=None, extra_steppers=None, **kw): from pysph.base.kernels import CubicSpline if kernel is None: kernel = CubicSpline(dim=self.dim) steppers = {} if extra_steppers is not None: steppers.update(extra_steppers) from pysph.sph.integrator import EPECIntegrator from pysph.sph.integrator_step import SolidMechStep cls = integrator_cls if integrator_cls is not None else EPECIntegrator step_cls = SolidMechStep for name in self.elastic_solids: if name not in steppers: steppers[name] = step_cls() integrator = cls(**steppers) from pysph.solver.solver import Solver self.solver = Solver(dim=self.dim, integrator=integrator, kernel=kernel, **kw)
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#ifndef ASYNC_SOCKET_BASE_HXX #define ASYNC_SOCKET_BASE_HXX #include <deque> #include <asio.hpp> #include <boost/bind.hpp> #include <boost/function.hpp> #include <boost/enable_shared_from_this.hpp> #include "DataBuffer.hxx" #include "StunTuple.hxx" #define RECEIVE_BUFFER_SIZE 4096 // ?slg? should we shrink this to something closer to MTU (1500 bytes)? !hbr! never actually increase it otherwise re-assembled UDP packets get lost. (was 2048) namespace reTurn { class AsyncSocketBaseHandler; class AsyncSocketBaseDestroyedHandler; class AsyncSocketBase : public boost::enable_shared_from_this<AsyncSocketBase> { public: AsyncSocketBase(asio::io_service& ioService); virtual ~AsyncSocketBase(); virtual unsigned int getSocketDescriptor() = 0; virtual void registerAsyncSocketBaseHandler(AsyncSocketBaseHandler* handler) { mAsyncSocketBaseHandler = handler; } /// Note: The following API's are thread safe and queue the request to be handled by the ioService thread virtual asio::error_code bind(const asio::ip::address& address, unsigned short port) = 0; virtual void connect(const std::string& address, unsigned short port) = 0; /// Note: destination is ignored for TCP and TLS connections virtual void send(const StunTuple& destination, boost::shared_ptr<DataBuffer>& data); // Send unframed data virtual void send(const StunTuple& destination, unsigned short channel, boost::shared_ptr<DataBuffer>& data); // send with turn framing /// Overlapped calls to receive functions have no effect virtual void receive(); virtual void framedReceive(); virtual void close(); bool isConnected() { return mConnected; } asio::ip::address& getConnectedAddress() { return mConnectedAddress; } unsigned short getConnectedPort() { return mConnectedPort; } virtual void setOnBeforeSocketClosedFp(boost::function<void(unsigned int)> fp) { mOnBeforeSocketCloseFp = fp; } /// Use these if you already operating within the ioService thread virtual void doSend(const StunTuple& destination, unsigned short channel, boost::shared_ptr<DataBuffer>& data, unsigned int bufferStartPos=0); virtual void doSend(const StunTuple& destination, boost::shared_ptr<DataBuffer>& data, unsigned int bufferStartPos=0); virtual void doReceive(); virtual void doFramedReceive(); /// Class override callbacks virtual void onConnectSuccess() { assert(false); } virtual void onConnectFailure(const asio::error_code& e) { assert(false); } virtual void onReceiveSuccess(const asio::ip::address& address, unsigned short port, boost::shared_ptr<DataBuffer>& data) = 0; virtual void onReceiveFailure(const asio::error_code& e) = 0; virtual void onSendSuccess() = 0; virtual void onSendFailure(const asio::error_code& e) = 0; /// Utility API static boost::shared_ptr<DataBuffer> allocateBuffer(unsigned int size); // Stubbed out async handlers needed by Protocol specific Subclasses of this - the requirement for these // to be in the base class all revolves around the shared_from_this() use/requirement virtual void start() { assert(false); } virtual void stop() { assert(false); } virtual void handleReadHeader(const asio::error_code& e) { assert(false); } virtual void handleServerHandshake(const asio::error_code& e) { assert(false); } virtual void handleTcpResolve(const asio::error_code& ec, asio::ip::tcp::resolver::iterator endpoint_iterator) { assert(false); } virtual void handleUdpResolve(const asio::error_code& ec, asio::ip::udp::resolver::iterator endpoint_iterator) { assert(false); } virtual void handleConnect(const asio::error_code& ec, asio::ip::tcp::resolver::iterator endpoint_iterator) { assert(false); } virtual void handleClientHandshake(const asio::error_code& ec, asio::ip::tcp::resolver::iterator endpoint_iterator) { assert(false); } protected: /// Handle completion of a sendData operation. virtual void handleSend(const asio::error_code& e); virtual void handleReceive(const asio::error_code& e, std::size_t bytesTransferred); /// The io_service used to perform asynchronous operations. asio::io_service& mIOService; /// Receive Buffer and state boost::shared_ptr<DataBuffer> mReceiveBuffer; bool mReceiving; /// Connected Info and State asio::ip::address mConnectedAddress; unsigned short mConnectedPort; bool mConnected; /// Handlers AsyncSocketBaseHandler* mAsyncSocketBaseHandler; /// Provides an opportunity for the app to clean up, e.g., QoS-related data or resources /// just before the socket is closed boost::function<void(unsigned int)> mOnBeforeSocketCloseFp; private: virtual void transportSend(const StunTuple& destination, std::vector<asio::const_buffer>& buffers) = 0; virtual void transportReceive() = 0; virtual void transportFramedReceive() = 0; virtual void transportClose() = 0; virtual const asio::ip::address getSenderEndpointAddress() = 0; virtual unsigned short getSenderEndpointPort() = 0; virtual void sendFirstQueuedData(); class SendData { public: SendData(const StunTuple& destination, boost::shared_ptr<DataBuffer>& frameData, boost::shared_ptr<DataBuffer>& data, unsigned int bufferStartPos = 0) : mDestination(destination), mFrameData(frameData), mData(data), mBufferStartPos(bufferStartPos) {} StunTuple mDestination; boost::shared_ptr<DataBuffer> mFrameData; boost::shared_ptr<DataBuffer> mData; unsigned int mBufferStartPos; }; /// Queue of data to send typedef std::deque<SendData> SendDataQueue; SendDataQueue mSendDataQueue; }; typedef boost::shared_ptr<AsyncSocketBase> ConnectionPtr; } #endif /* ==================================================================== Copyright (c) 2007-2008, Plantronics, Inc. All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. 3. Neither the name of Plantronics nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ==================================================================== */
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cdis cdis Open Source License/Disclaimer, Forecast Systems Laboratory cdis NOAA/OAR/FSL, 325 Broadway Boulder, CO 80305 cdis cdis This software is distributed under the Open Source Definition, cdis which may be found at http://www.opensource.org/osd.html. cdis cdis In particular, redistribution and use in source and binary forms, cdis with or without modification, are permitted provided that the cdis following conditions are met: cdis cdis - Redistributions of source code must retain this notice, this cdis list of conditions and the following disclaimer. cdis cdis - Redistributions in binary form must provide access to this cdis notice, this list of conditions and the following disclaimer, and cdis the underlying source code. cdis cdis - All modifications to this software must be clearly documented, cdis and are solely the responsibility of the agent making the cdis modifications. cdis cdis - If significant modifications or enhancements are made to this cdis software, the FSL Software Policy Manager cdis (softwaremgr@fsl.noaa.gov) should be notified. cdis cdis THIS SOFTWARE AND ITS DOCUMENTATION ARE IN THE PUBLIC DOMAIN cdis AND ARE FURNISHED "AS IS." THE AUTHORS, THE UNITED STATES cdis GOVERNMENT, ITS INSTRUMENTALITIES, OFFICERS, EMPLOYEES, AND cdis AGENTS MAKE NO WARRANTY, EXPRESS OR IMPLIED, AS TO THE USEFULNESS cdis OF THE SOFTWARE AND DOCUMENTATION FOR ANY PURPOSE. THEY ASSUME cdis NO RESPONSIBILITY (1) FOR THE USE OF THE SOFTWARE AND cdis DOCUMENTATION; OR (2) TO PROVIDE TECHNICAL SUPPORT TO USERS. cdis cdis C*********************************************************************** C** NOAA/NESDIS/SOCC/SOFTWARE BRANCH AND ISI C*********************************************************************** C** C** PROJECT OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM EARTH LOCATION USERS GUIDE C** ROUTINE GIMLOC C** SOURCE F.GIMLOC C** LOAD NAME ANY C** PROGRAMMER THOMAS I. BABICKI C** C** VER. DATA BY COMMENT C** ---- -------- -- --------------------------------------------- C** A 5/01/89 TB INITIAL CREATION(SOCC/ISI) C** C** B 2/19/93 JH ADD ACCESS TO BOTH IMAGER AND SOUNDER SETS C** C*********************************************************************** C C AWS -- I eliminated the PROGRAM code here... C C*********************************************************************** C** C** NOAA/NESDIS/SOCC/SOFTWARE BRANCH C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : TIME50 C** SOURCE : F.TIME50 C** LOAD NAME : ANY C** PROGRAMMER: THOMAS I. BABICKI C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 2/17/89 TB INITIAL CREATION C** C*********************************************************************** C** C** TIME50 ACCEPTS TWO WORDS CONTAINING DATE AND TIME C** AND RETURNS TIME EXPRESSED AS DOUBLE PRECISION MINUTES FROM C** 1950 JAN. 1.0 C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** FUNCTION TIME50(I) C C CALLING PARAMETERS C INTEGER*4 I(2) C C LOCAL VARIABLES C INTEGER*4 NY C YEAR INTEGER*4 ND C DAY OF YEAR INTEGER*4 NH C HOUR INTEGER*4 NM C MINUTE REAL*8 S C SECONDS INTEGER J C C INCLUDE FILES - REC C C C*********************************************************************** C C CONVERT INPUT YEAR, DAY OF YEAR, HOUR AND MINUTE C TO INTEGER VALUES. C NY=I(1)/10000 IAA=I(1)-(NY*10000) ND=(I(1)-(NY*10000))*.1 IAB=(IAA-(ND*10))*10 NBC=I(2)/10000000. IAC=I(2)-(NBC*10000000) NH=IAB+NBC DEF=I(2)-IAC NM=IAC*.00001 S=(I(2)-(DEF+(NM*100000)))*.001D0 PRINT 1000,NY,ND,NH,NM,S 1000 FORMAT (1H1,'YEAR =',I4,/,1X,'JDAY =',I3,/,1X, * 'HOUR =',I2,/,1X,'MIN =',I2,/,1X, * 'SEC =',F6.3) C C*********************************************************************** C C HERE WE CONVERT INTEGER YEAR AND DAY OF YEAR TO NUMBER OF C DAYS FROM 0 HOUR UT, 1950 JAN. 1.0 C THIS CONVERTION IS BASED ON AN ALGORITHM BY FLIEGEL AND VAN C FLANDERN, COMM. OF ACM, VOL.11, NO. 10, OCT. 1968 (P.657) C J=ND+1461*(NY+4799)/4-3*((NY+4899)/100)/4-2465022 C C COMPUTE TIME IN MINUTES FROM JANUARY 1.0, 1950 C TIME50=J*1440.D0+NH*60.D0+NM+S/60.D0 RETURN END C*********************************************************************** C** NOAA/NESDIS/SOCC/SOFTWARE BRANCH C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : TIMEX C** SOURCE : F.TIMEX C** LOAD NAME : ANY C** PROGRAMMER: THOMAS I. BABICKI C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 4/25/89 TB INITIAL CREATION C*********************************************************************** FUNCTION TIMEX(NY,ND,NH,NM,S) C REAL*8 TIMEX C C CALLING PARAMETERS C INTEGER*4 NY C YEAR INTEGER*4 ND C DAY OF YEAR INTEGER*4 NH C HOUR INTEGER*4 NM C MINUTE REAL*8 S C SECONDS INTEGER J C C*********************************************************************** C PRINT 1000,NY,ND,NH,NM,S 1000 FORMAT (/,1X,'YEAR =',I4,/,1X,'JDAY =',I3,/,1X, * 'HOUR =',I2,/,1X,'MIN =',I2,/,1X, * 'SEC =',F6.3) C C*********************************************************************** C J=ND+1461*(NY+4799)/4-3*((NY+4899)/100)/4-2465022 C C COMPUTE ACTUAL TIME IN MINUTES FROM JANUARY 1.0, 1950 C TIMEX=J*1440.D0+NH*60.D0+NM+S/60.D0 RETURN END C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : SETCONS C** SOURCE : F.SETCONS C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 02/16/89 IL INITIAL CREATION C** C** B 05/19/94 NP ADDED CALCULATION OF INSTRUMENT ELEVATION AND C** SCAN ANGLE BIASES BASED ON USER INPUT C*********************************************************************** C** C** THIS SUBROUTINE GENERATES CONSTANTS IN COMMON INSTCOMM C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: INSTCO C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** SUBROUTINE SETCON(INSTR,NS_NAD_CY,NS_NAD_INC,EW_NAD_CY,EW_NAD_INC) C C CALLING PARAMETERS C C C LOCAL VARIABLES INTEGER NS_NAD_CY,NS_NAD_INC,EW_NAD_CY,EW_NAD_INC C C C INCLUDE FILES C INCLUDE 'elcons.inc' INCLUDE 'instco.inc' C*********************************************************************** INCMAX(1)=6136 INCMAX(2)=2805 ELVINC(1)=8.0D-6 ELVINC(2)=17.5D-6 SCNINC(1)=16.D-6 SCNINC(2)=35.D-6 ELVLN(1)=28.D-6 ELVLN(2)=280.D-6 SCNPX(1)=16.D-6 SCNPX(2)=280.D-6 C ************************************************************ C COMMENTED OUT ELEVATION AND SCAN BIAS CONSTANTS SINCE INSTRUMENT C EARTH NADIR POSITION IS AVAILABLE IN GVAR DATA AND PERIODICALLY C UPDATED C C C ELVMAX(1)=0.220896D0 C ELVMAX(2)=0.22089375D0 C SCNMAX(1)=0.24544D0 C SCNMAX(2)=0.2454375D0 C RECOMPUTE ELEVATION AND SCAN BIASES BASED ON USER INPUTS OF C CYCLES & INCREMENTS OBTAINED FROM GVAR c ELVMAX(INSTR) = (NS_NAD_CY*INCMAX(INSTR)+NS_NAD_INC)*ELVINC(INSTR) IF(INSTR.EQ.1)THEN ELVMAX(INSTR)=(NS_NAD_CY*INCMAX(INSTR)+NS_NAD_INC)*ELVINC(INSTR) ELSE ELVMAX(INSTR)=((9-NS_NAD_CY)*INCMAX(INSTR)-NS_NAD_INC) + *ELVINC(INSTR) ENDIF SCNMAX(INSTR) = (EW_NAD_CY*INCMAX(INSTR)+EW_NAD_INC)*SCNINC(INSTR) C ************************************************************ RETURN END C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : LMODEL C** SOURCE : F.LMODEL C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** 1 01/09/89 IL INITIAL CREATION C** 2 06/02/89 IL COORDINATE AXES CHANGED ACCORDING TO C** FORD'S DEFINITION IN SDAIP, DRL 504-01 C** 3 08/21/89 IL CORRECTED ORBIT ANGLE COMPUTATIONS C** 4 03/08/94 SC S/C COMPENSATION APPLIED UNCONDITIONALLY; C** REFERENCE RADIAL DISTANCE, LATITUDE AND C** ORBIT YAW SET TO ZERO IF IMC DISABLED. C** 5 03/08/94 SC ADDED TRAP FOR SLAT=SYAW=0; CORRECTED C** EXPRESSION FOR LAM. C*********************************************************************** C** C** THIS SUBROUTINE COMPUTES THE POSITION OF THE SATELLITE AND THE C** ATTITUDE OF THE IMAGER OR SOUNDER. THE CALCULATIONS ARE BASED C** ON THE OATS ORBIT AND ATTITUDE MODEL REPRESENTED BY THE O&A C** PARAMETER SET IN GVAR BLOCK 0. C** INPUTS: C** TIME, EPOCH TIME, O&A PARAMETER SET, IMC STATUS. C** C** OUTPUTS: C** THE SPACECRAFT POSITION VECTOR IN EARTH FIXED COORDINATES; C** THE GEOMETRIC ROLL, PITCH, YAW ANGLES AND THE ROLL, C** PITCH MISALIGNMENTS FOR EITHER THE IMAGER OR THE SOUNDER; C** THE EARTH FIXED TO INSTRUMENT FRAME TRANSFORMATION MATRIX; C** GEOGRAPHIC LATITUDE AND LONGITUDE AT SUBSATELLITE POINT. C** C** DESCRIPTION C** LMODEL ACCEPTS AN INPUT DOUBLE PRECISION TIME IN MINUTES FROM C** 1950, JAN.1.0 AND AN INPUT SET OF O&A PARAMETERS AND COMPUTES C** POSITION OF THE SATELLITE, THE ATTITUDE ANGLES AND ATTITUDE C** MISALIGNMENTS AND THE INSTRUMENT TO EARTH FIXED COORDINATES C** TRANSFORMATION MATRIX. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: /ELCOMM/ XS,Q3,PITCH,ROLL,YAW,PMA,RMA,BT C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : INST2ER,GATT C** C*********************************************************************** C*********************************************************************** SUBROUTINE LMODEL(T,TU,REC,IMC,RLAT,RLON) C C CALLING ARGUMENTS C REAL*8 T C INPUT TIME FROM 1950, JAN 1.0 (MIN) REAL*8 TU C EPOCH TIME FROM 1950, JAN 1.0 (MIN) REAL*8 REC(336) C INPUT O&A PARAMETER SET INTEGER IMC C INPUT IMC STATUS: 0 - ON, 1 - OFF REAL*8 RLAT C SUBSATELLITE GEODETIC LATITUDE (RAD) REAL*8 RLON C SUBSATELLITE LONGITUDE IN RADIANS C C LOCAL VARIABLES C REAL*8 R C NORMALIZED SATELLITE DISTANCE (IN UNITS OF KMER9) REAL*8 TS C TIME FROM EPOCH IN MINUTES REAL*8 B(3,3) C SPACCRAFT TO EARTH FIXED COORDINATES TRANSFORMATION C MATRIX REAL*8 TE C EXPONENENTIAL TIME DELAY FROM EPOCH (IN MINUTES) REAL*8 PHI C SUBSATELLITE GEOCENTRIC LATITUDE IN RADIANS REAL*8 DR C RADIAL DISTANCE FROM THE NOMINAL (KM) REAL*8 PSI C ORBITAL YAW (IN RADIANS) REAL*8 LAM C IMC LONGITUDE (IN RADIANS) REAL*8 U C ARGUMENT OF LATITUDE (IN RADIANS) REAL*8 SU,CU C SIN(U), COS(U) REAL*8 SI,CI C SINE AND COSINE OF THE ORBIT INCLINATION REAL*8 SLAT C SINE OF GEOCENTRIC LATITUDE REAL*8 ASC C LONGITUDE OF THE ASCENDING NODE IN RADIANS REAL*8 SA,CA C SINE AND COSINE OF ASC REAL*8 SYAW C SINE OF THE ORBIT YAW REAL*8 WA C SOLAR ORBIT ANGLE IN RADIANS REAL*8 W C ORBIT ANGLE IN RADIANS REAL*8 SW,CW C SIN(W), COS(W) REAL*8 S2W,C2W C SIN(2*W), COS(2*W) REAL*8 SW1,CW1 C SIN(0.927*W), COS(0.927*W) REAL*8 SW3,CW3 C SINE AND COSINE OF 1.9268*W REAL*8 DLAT C CHANGE IN SINE OF GEOCENTRIC LATITUDE REAL*8 DYAW C CHANGE IN SINE OF ORBIT YAW REAL*8 GATT C SUBROUTINE FUNCTION c REAL*8 A1,A2 C WORK AREAS C C INCLUDE FILES C INCLUDE 'elcons.inc' INCLUDE 'elcomm.inc' C C*********************************************************************** C C ASSIGN REFERENCE VALUES TO THE SUBSATELLITE LONGITUDE AND C LATITUDE, THE RADIAL DISTANCE AND THE ORBIT YAW. C LAM=REC(5) DR=REC(6) PHI=REC(7) PSI=REC(8) C C ASSIGN REFERENCE VALUES TO THE ATTITUDES AND MISALIGNMENTS C ROLL=REC(9) PITCH=REC(10) YAW=REC(11) RMA=0.0D0 PMA=0.0D0 C C IF IMC IS OFF, COMPUTE CHANGES IN THE SATELLITE ORBIT C IF (IMC.NE.0) THEN C C SET REFERENCE RADIAL DISTANCE, LATITUDE AND ORBIT YAW TO ZERO C DR=0.0D0 PHI=0.0D0 PSI=0.0D0 C C COMPUTE TIME SINCE EPOCH (IN MINUTES) C TS=T-TU C C COMPUTES ORBIT ANGLE AND THE RELATED TRIGONOMETRIC FUNCTIONS. C EARTH ROTATIONAL RATE=.729115E-4 (RAD/S) C W=0.729115D-4*60.0D0*TS SW=DSIN(W) CW=DCOS(W) SW1=DSIN(0.927D0*W) CW1=DCOS(0.927D0*W) S2W=DSIN(2.0D0*W) C2W=DCOS(2.0D0*W) SW3=DSIN(1.9268D0*W) CW3=DCOS(1.9268D0*W) C C COMPUTES CHANGE IN THE IMC LONGITUDE FROM THE REFERENCE C LAM=LAM+REC(18)+(REC(19)+REC(20)*W)*W 1 +(REC(27)*SW1+REC(28)*CW1+REC(21)*SW+REC(22)*CW 2 +REC(23)*S2W+REC(24)*C2W + REC(25)*SW3+REC(26)*CW3 3 +W*(REC(29)*SW+REC(30)*CW))*2.0D0 C C COMPUTES CHANGE IN RADIAL DISTANCE FROM THE REFERENCE (KM) C DR=DR + REC(31) + REC(32)*CW+REC(33)*SW 1 +REC(34)*C2W+REC(35)*S2W + REC(36)*CW3+REC(37)*SW3 2 +REC(38)*CW1+REC(39)*SW1 + W*(REC(40)*CW+REC(41)*SW) C C COMPUTES THE SINE OF THE CHANGE IN THE GEOCENTRIC LATITUDE C DLAT=REC(42) + REC(43)*CW+REC(44)*SW 1 +REC(45)*C2W+REC(46)*S2W 2 +W*(REC(47)*CW+REC(48)*SW) 3 +REC(49)*CW1+REC(50)*SW1 C C COMPUTES GEOCENTRIC LATITUDE BY USING AN EXPANSION FOR ARCSINE C PHI=PHI+DLAT*(1.0D0+DLAT*DLAT/6.0D0) C C COMPUTES SINE OF THE CHANGE IN THE ORBIT YAW C DYAW=REC(51) + REC(52)*SW+REC(53)*CW 1 +REC(54)*S2W+REC(55)*C2W 2 +W*(REC(56)*SW+REC(57)*CW) 3 +REC(58)*SW1+REC(59)*CW1 C C COMPUTES THE ORBIT YAW BY USING AN EXPANSION FOR ARCSINE. C PSI=PSI+DYAW*(1.0D0+DYAW*DYAW/6.0D0) C C CALCULATION OF CHANGES IN THE SATELLITE ORBIT ENDS HERE C END IF C C CONVERSION OF THE IMC LONGITUDE AND ORBIT YAW TO THE SUBSATELLITE C LONGITUDE AND THE ORBIT INCLINATION (REF: GOES-PCC-TM-2473, INPUTS C REQUIRED FOR EARTH LOCATION AND GRIDDING BY SPS, JUNE 6, 1988) C SLAT=DSIN(PHI) SYAW=DSIN(PSI) SI=SLAT**2+SYAW**2 CI=DSQRT(1.0D0-SI) SI=DSQRT(SI) IF (SLAT.EQ.0.0D0.AND.SYAW .EQ. 0.0D0) THEN U=0.0D0 ELSE U=DATAN2(SLAT,SYAW) ENDIF SU=DSIN(U) CU=DCOS(U) C C COMPUTES LONGITUDE OF THE ASCENDING NODE C ASC=LAM - U SA=DSIN(ASC) CA=DCOS(ASC) C C COMPUTES THE SUBSATELLITE GEOGRAPHIC LATITUDE C RLAT=DATAN(AEBE2*DTAN(PHI)) C C COMPUTES THE SUBSATELLITE LONGITUDE C RLON=ASC+DATAN2(CI*SU,CU) C C COMPUTES THE SPACECRAFT TO EARTH FIXED COORDINATES TRANSFORMATION C MATRIX: C (VECTOR IN ECEF COORDINATES) = B * (VECTOR IN S/C COORDINATES) C B(1,2)=-SA*SI B(2,2)= CA*SI B(3,2)=-CI B(1,3)=-CA*CU+SA*SU*CI B(2,3)=-SA*CU-CA*SU*CI B(3,3)=-SLAT B(1,1)=-CA*SU-SA*CU*CI B(2,1)=-SA*SU+CA*CU*CI B(3,1)= CU*SI C C COMPUTES THE NORMALIZED SPACECRAFT POSITION VECTOR IN EARTH FIXED C COORDINATES - XS. C R=(NOMORB+DR)/AE XS(1)=-B(1,3)*R XS(2)=-B(2,3)*R XS(3)=-B(3,3)*R C C PRECOMPUTES Q3 (USED IN LPOINT) C Q3=XS(1)**2+XS(2)**2+AEBE2*XS(3)**2-1.0D0 C C COMPUTES THE ATTITUDES AND MISALIGNMENTS IF IMC IS OFF C IF (IMC.NE.0) THEN C C COMPUTES THE SOLAR ORBIT ANGLE C WA=REC(60)*TS C C COMPUTES THE DIFFERENCE BETWEEN CURRENT TIME, TS, AND THE C EXPONENTIAL TIME, REC(61). NOTE THAT BOTH TIMES ARE SINCE EPOCH. C TE=TS-REC(61) C C COMPUTES ROLL + ROLL MISALIGNMENT C ROLL=ROLL+GATT(62,REC,WA,TE) C C COMPUTES PITCH + PITCH MISALIGNMENT C PITCH=PITCH+GATT(117,REC,WA,TE) C C COMPUTES YAW C YAW=YAW+GATT(172,REC,WA,TE) C C COMPUTES ROLL MISALIGNMENT C RMA=GATT(227,REC,WA,TE) C C COMPUTES PITCH MISALIGNMENT C PMA=GATT(282,REC,WA,TE) C C APPLY THE SPCECRAFT COMPENSATION C ROLL=ROLL+REC(15) PITCH=PITCH+REC(16) YAW=YAW+REC(17) END IF C C COMPUTES THE INSTRUMENT TO EARTH FIXED COORDINATES TRANSFORMATION C MATRIX - BT C CALL INST2ER(ROLL,PITCH,YAW,B,BT) RETURN END C*********************************************************************** C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : GPOINT C** SOURCE : F.GPOINT C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 12/10/87 IL INITIAL CREATION C** A 06/10/88 IL REPLACED ASIN WITH ATAN TO SAVE TIME C** A 06/02/89 IL COORDINATE AXES CHANGED ACCORDING TO C** FORD'S DEFINITION IN SDAIP, DRL 504-01 C** 4 03/08/94 SC IMPLEMENTED NEW FORMULAE FOR SCAN ANGLE C** CORRECTION DUE TO MISALIGNMENTS C*********************************************************************** C** C** THIS SUBROUTINE CONVERTS GEOGRAPHIC LATITUDE AND LONGITUDE C** TO THE RELATED ELEVATION AND SCAN ANGLES. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** SUBROUTINE GPOINT(RLAT,RLON,ALF,GAM,IERR) C C CALLING PARAMETERS C REAL*8 RLAT C GEOGRAPHIC LATITUDE IN RADIANS (INPUT) REAL*8 RLON C GEOGRAPHIC LONGITUDE IN RADIANS (INPUT) REAL*8 ALF C ELEVATION ANGLE IN RADIANS (OUTPUT) REAL*8 GAM C SCAN ANGLE IN RADIANS (OUTPUT) INTEGER IERR C OUTPUT STATUS; 0 - SUCCESSFUL COMPLETION, C 1 - POINT WITH GIVEN LAT/LON IS INVISIBLE C C LOCAL VARIABLES C REAL*8 F(3) C POINTING VECTOR IN EARTH CENTERED COORDINATES REAL*8 FT(3) C POINTING VECTOR IN INSTRUMENT COORDINATES REAL*8 U(3) C COORDINATES OF THE EARTH POINT (KM) REAL*8 SING,SLAT,W1,W2 C WORK SPACE C C INCLUDE FILES C INCLUDE 'elcons.inc' INCLUDE 'elcomm.inc' C*********************************************************************** C C COMPUTES SINUS OF GEOGRAPHIC (GEODETIC) LATITUDE C SING=DSIN(RLAT) W1=AEBE4*SING*SING C C SINUS OF THE GEOCENTRIC LATITUDE C SLAT=((0.375D0*W1-0.5D0)*W1+1.0D0)*SING/AEBE2 C C COMPUTES LOCAL EARTH RADIUS AT SPECIFIED POINT C W2=SLAT*SLAT W1=AEBE3*W2 W1=(0.375D0*W1-0.5D0)*W1+1.D0 C C COMPUTES CARTESIAN COORDINATES OF THE POINT C U(3)=SLAT*W1 W2=W1*DSQRT(1.0D0-W2) U(1)=W2*DCOS(RLON) U(2)=W2*DSIN(RLON) C C POINTING VECTOR FROM SATELLITE TO THE EARTH POINT C F(1)=U(1)-XS(1) F(2)=U(2)-XS(2) F(3)=U(3)-XS(3) W2=U(1)*SNGL(F(1))+U(2)*SNGL(F(2))+ 1 U(3)*SNGL(F(3))*AEBE2 C C VERIFIES VISIBILITY OF THE POINT C IF (W2.GT.0.0D0) THEN C INVISIBLE POINT ON THE EARTH IERR=1 ALF=99999.0D0 GAM=99999.0D0 RETURN END IF C C CONVERTS POINTING VECTOR TO INSTRUMENT COORDINATES C FT(1)=BT(1,1)*F(1)+BT(2,1)*F(2)+BT(3,1)*F(3) FT(2)=BT(1,2)*F(1)+BT(2,2)*F(2)+BT(3,2)*F(3) FT(3)=BT(1,3)*F(1)+BT(2,3)*F(2)+BT(3,3)*F(3) C C CONVERTS POINTING VECTOR TO SCAN AND ELEVATION ANGLES AND C CORRECTS FOR THE ROLL AND PITCH MISALIGNMENTS C GAM=DATAN(FT(1)/SQRT(FT(2)**2+FT(3)**2)) ALF=-DATAN(FT(2)/FT(3)) W1=DSIN(ALF) W2=DCOS(GAM) ALF=ALF+RMA*(1.0D0-DCOS(ALF)/W2)+PMA*W1*(1.0D0/W2+DTAN(GAM)) GAM=GAM-RMA*W1 IERR=0 RETURN END C*********************************************************************** C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : INST2ER C** SOURCE : F.INST2ER C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** 1 08/16/88 IL INITIAL CREATION C** 2 11/11/88 IL TRIGONOMETRIC FUNCTIONS REPLACED WITH C** SMALL ANGLE APPROXIMATIONS C** 3 06/02/89 IL COORDINATE AXES CHANGED ACCORDING TO C** FORD'S DEFINITION IN SDAIP, DRL 504-01 C** C*********************************************************************** C** C** INST2ER ACCEPTS THE SINGLE PRECISION ROLL, PITCH AND YAW ANGLES C** OF AN INSTRUMENT AND RETURNS THE DOUBLE PRECISION INSTRUMENT TO C** EARTH COORDINATES TRANSFORMATION MATRIX. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** SUBROUTINE INST2ER(R,P,Y,A,AT) C C CALLING PARAMETERS C REAL*8 R C ROLL ANGLE IN RADIANS REAL*8 P C PITCH ANGLE IN RADIANS REAL*8 Y C YAW ANGLE IN RADIANS REAL*8 A(3,3) C SPACECRAFT TO ECEF COORDINATES C TRANSFORMATION MATRIX REAL*8 AT(3,3) C INSTRUMENT TO ECEF COORDINATES C TRANSFORMATION MATRIX C C LOCAL VARIABLES C REAL*8 RPY(3,3) C INSTRUMENT TO BODY COORDINATES C TRANSFORMATION MATRIX INTEGER*4 I,J C INDICES C C INCLUDE FILES C C*********************************************************************** C C WE COMPUTE INSTRUMENT TO BODY COORDINATES TRANSFORMATION C MATRIX BY USING A SMALL ANGLE APPROXIMATION OF TRIGONOMETRIC C FUNCTIONS OF THE ROLL, PITCH AND YAW. C RPY(1,1)=1.0D0-0.50D0*(P*P+Y*Y) RPY(1,2)=-Y RPY(1,3)=P RPY(2,1)=Y+P*R RPY(2,2)=1.0D0-0.50D0*(Y*Y+R*R) RPY(2,3)=-R RPY(3,1)=-P+R*Y RPY(3,2)=R+P*Y RPY(3,3)=1.0D0-0.50D0*(P*P+R*R) C C MULTIPLICATION OF MATRICES A AND RPY C DO 20 I=1,3 DO 10 J=1,3 AT(I,J)=A(I,1)*RPY(1,J)+A(I,2)*RPY(2,J)+A(I,3)*RPY(3,J) 10 CONTINUE 20 CONTINUE RETURN END C*********************************************************************** C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : LPOINT C** SOURCE : F.LPOINT C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 01/09/89 IL INITIAL CREATION C** A 06/02/89 IL COORDINATE AXES CHANGED ACCORDING TO C** FORD'S DEFINITION IN SDAIP, DRL504-01 C** 3 03/08/94 SC IMPLEMENTED NEW FORMULAE FOR SCAN ANGLE C** CORRECTIONS DUE TO MISALIGNMENTS C*********************************************************************** C** C** THIS SUBROUTINE CONVERTS THE INSTRUMENT ELEVATION AND SCAN C** ANGLES TO THE RELATED GEOGRAPHIC LATITUDE AND LONGITUDE. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** SUBROUTINE LPOINT(ALPHA,ZETA,RLAT,RLON,IERR) C C CALLING PARAMETERS C REAL*8 ALPHA C ELEVATION ANGLE (RAD) REAL*8 ZETA C SCAN ANGLE (RAD) REAL*8 RLAT C LATITUDE IN RADIANS (OUTPUT) REAL*8 RLON C LONGITUDE IN RADIANS (OUTPUT) INTEGER IERR C OUTPUT STATUS; 0 - POINT ON THE EARTH C FOUND, 1 - INSTRUMENT POINTS OFF EARTH C C LOCAL VARIABLES C REAL*8 G1(3) C POINTING VECTOR IN EARTH CENTERED COORDINATES REAL*8 H C SLANT DISTANCE TO THE EARTH POINT (KM) REAL*8 Q1,Q2,D C WORK SPACE REAL*8 G(3) C POINTING VECTOR IN INSTRUMENT COORDINATES REAL*8 U(3) C COORDINATES OF THE EARTH POINT (KM) REAL*8 SA,CA,DA,DZ,D1,CZ C WORK SPACE C C INCLUDE FILES C INCLUDE 'elcons.inc' INCLUDE 'elcomm.inc' C*********************************************************************** IERR=1 C C COMPUTES TRIGONOMETRIC FUNCTIONS OF THE SCAN AND ELEVATION C ANGLES CORRECTED FOR THE ROLL AND PITCH MISALIGNMENTS C CA=DCOS(ALPHA) SA=DSIN(ALPHA) CZ=DCOS(ZETA) DA=ALPHA-PMA*SA*(1.0D0/CZ+DTAN(ZETA))-RMA*(1.0D0-CA/CZ) DZ=ZETA+RMA*SA C CORRECTED SCAN ANGLE CZ=DCOS(DZ) C C COMPUTES POINTING VECTOR IN INSTRUMENT COORDINATES C G(1)=DSIN(DZ) G(2)=-CZ*DSIN(DA) G(3)=CZ*DCOS(DA) C C TRANSFORMS THE POINTING VECTOR TO EARTH FIXED COORDINATES C G1(1)=BT(1,1)*G(1)+BT(1,2)*G(2)+BT(1,3)*G(3) G1(2)=BT(2,1)*G(1)+BT(2,2)*G(2)+BT(2,3)*G(3) G1(3)=BT(3,1)*G(1)+BT(3,2)*G(2)+BT(3,3)*G(3) C C COMPUTES COEFFICIENTS AND SOLVES A QUADRATIC EQUATION TO C FIND THE INTERSECT OF THE POINTING VECTOR WITH THE EARTH C SURFACE C Q1=G1(1)**2+G1(2)**2+AEBE2*G1(3)**2 Q2=XS(1)*G1(1)+XS(2)*G1(2)+AEBE2*XS(3)*G1(3) D=Q2*Q2-Q1*Q3 IF (DABS(D).LT.1.D-9) D=0.0D0 C C IF THE DISCIMINANTE OF THE EQUATION, D, IS NEGATIVE, THE C INSTRUMENT POINTS OFF THE EARTH C IF (D.LT.0.0D0) THEN RLAT=999999.0D0 RLON=999999.0D0 RETURN END IF D=DSQRT(D) C C SLANT DISTANCE FROM THE SATELLITE TO THE EARTH POINT C H=-(Q2+D)/Q1 C C CARTESIAN COORDINATES OF THE EARTH POINT C U(1)=XS(1)+H*G1(1) U(2)=XS(2)+H*G1(2) U(3)=XS(3)+H*G1(3) C C SINUS OF GEOCENTRIC LATITUDE C D1=U(3)/DSQRT(U(1)**2+U(2)**2+U(3)**2) C C GEOGRAPHIC (GEODETIC) COORDINATES OF THE POINT C RLAT=DATAN(AEBE2*D1/DSQRT(1.0D0-D1*D1)) RLON=DATAN2(U(2),U(1)) IERR=0 RETURN END C*********************************************************************** C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : SNDELOC C** SOURCE : F.SNDELOC C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 02/16/89 IL INITIAL CREATION C*********************************************************************** C** C** SNDELOC ACCEPTS THE MIRROR POSITION IN CYCLES AND INCREMENTS, C** SERVO ERROR VALUES, AND THE POSITIONAL OFFSETS FOR FOUR DETECTORS C** OF A SELECTED SOUNDER CHANNEL AND COMPUTES THE DETECTOR EARTH C** LOCATIONS IN LATITUDE/LONGITUDE COORDINATES. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : LPOINT C** C*********************************************************************** C*********************************************************************** SUBROUTINE SNDELO(CYEW,INCEW,CYNS,INCNS,SVEW,SVNS,DOFF,GEO) C C CALLING PARAMETERS C INTEGER CYEW C E-W CYCLES INTEGER INCEW C E-W INCREMENTS INTEGER CYNS C N-S CYCLES INTEGER INCNS C N-S INCREMENTS REAL*8 SVEW C E-W SERVO ERROR IN RADIANS REAL*8 SVNS C N-S SERVO ERROR IN RADIANS REAL*8 DOFF(4,2) C OFFSETS FOR 4 DETECTORS (RADIANS) C DOFF(*,1) = E-W OFFSET C DOFF(*,2) = N-S OFFSET REAL*8 GEO(4,2) C GEOGRAPHIC COORDINATES RELATED TO 4 DETECTORS C GEO(*,1) = LATITUDE IN RADIANS C GEO(*,2) = LONGITUDE IN RADIANS C C LOCAL VARIABLES C c REAL*8 E,S,H,EV,SC,ALPHA,BETA,SINE,COSE,DE,DS REAL*8 E,S,H,EV,SC,SINE,COSE,DE,DS INTEGER I,IER C C INCLUDE FILES C INCLUDE 'instco.inc' C*********************************************************************** C C CONVERT THE MIRROR POSITION, GIVEN IN CYCLES AND INCREMENTS, TO C ELEVATION AND SCAN ANGLES C C E=(CYNS*INCMAX(2)+INCNS)*ELVINC(2)-ELVMAX(2) E=((CYNS-9)*INCMAX(2)+INCNS)*ELVINC(2)-ELVMAX(2) S=(CYEW*INCMAX(2)+INCEW)*SCNINC(2)-SCNMAX(2) C C CORRECT ELEVATION AND SCAN ANGLES FOR SERVO ERRORS OBTAINING THE C TRUE MIRROR POINTING C E=E+SVNS S=S+SVEW SINE=DSIN(E) COSE=DCOS(E) H=-2.0D0*SCNPX(2) C C COMPUTE DETECTOR ROTATION OFFSETS FOR EACH DETECTOR C C ALPHA = 0.643501D0 + E C BETA = 0.244979D0 - E C C DOFF(1,1) = -0.064976D0 C DOFF(1,2) = 0.00042D0 C DOFF(2,1) = 0.00056D0 C DOFF(2,2) = 0.00014D0 C DOFF(3,1) = -0.064976D0 C DOFF(3,2) = -0.065396D0 C DOFF(4,1) = 0.00056D0 C DOFF(4,2) = -0.065116D0 C DOFF(1,1) = - 700.0D0*DCOS(ALPHA)*1.0D-6 C DOFF(1,2) = 700.0D0*DSIN(ALPHA)*1.0D-6 C DOFF(2,1) = 577.23479D0*DCOS(BETA)*1.D-6 C DOFF(2,2) = 577.23479D0*DSIN(BETA)*1.0D-6 C DOFF(3,1) = - 577.23479D0*DCOS(BETA)*1.0D-6 C DOFF(3,2) = - 577.23479D0*DSIN(BETA)*1.0D-6 C DOFF(4,1) = 700.0D0*DCOS(ALPHA)*1.0D-6 C DOFF(4,2) = - 700.0D0*DSIN(ALPHA)*1.0D-6 C C COMPUTE EARTH LOCATIONS FOR FOUR DETECTORS C DO 10 I=1,4 C COMPUTE POSITIONAL OFFSETS OF I-TH DETECTOR DE=(2.5-I)*ELVLN(2)+DOFF(I,2) DS=H+DOFF(I,1) C C COMPUTE ELEVATION AND SCAN ANGLES RELATED TO I-TH DETECTOR C AND CORRECT THEM FOR THE DETECTOR POSITIONAL OFFSETS C C EV=E+DOFF(I,2) C SC=S+DOFF(I,1) C C CONVERT POSITIONAL OFFSETS TO ANGULAR OFFSETS AND C CORRECT ELEVATION AND SCAN ANGLES EV = E + DE*COSE - DS*SINE SC = S + DE*SINE + DS*COSE C TRANSFORM DETECTOR'S POINTING ANGLES TO GEOGRAPHIC COORDINATES C OF THE CORRESPONDING POINT ON THE EARTH SURFACE. C NOTE: IF A DETECTOR LOOKS OFF THE EARTH, THE RELATED LATITUDE C AND LONGITUDE ARE SET TO 999999. C CALL LPOINT(EV,SC,GEO(I,1),GEO(I,2),IER) H=-H 10 CONTINUE RETURN END C*********************************************************************** C*********************************************************************** C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : EVSC2LPF C** SOURCE : F.EVSC2LPF C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 10/27/88 IL INITIAL CREATION C** C*********************************************************************** C** C** THIS SUBROUTINE CONVERTS ELEVATION AND SCAN ANGLES C** TO THE FRACTIONAL LINE AND PIXEL NUMBERS. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** SUBROUTINE EVSC2L(INSTR,ELEV,SCAN,RL,RP) C C CALLING PARAMETERS C INTEGER INSTR C INSTRUMENT CODE (1-IMAGER, 2-SOUNDER) REAL*8 ELEV C ELEVATION ANGLE IN RADIANS REAL*8 SCAN C SCAN ANGLE IN RADIANS REAL*8 RL C LINE NUMBER REAL*8 RP C PIXEL NUMBER C C LOCAL VARIABLES - NONE C C C INCLUDE FILES C INCLUDE 'instco.inc' C************************************************************** C C COMPUTE FRACTIONAL LINE NUMBER C RL=(ELVMAX(INSTR)-ELEV)/ELVLN(INSTR) IF (INSTR.EQ.1) THEN RL=RL+4.5D0 ELSE RL=RL+2.5D0 END IF C C COMPUTE FRACTIONAL PIXEL NUMBER C RP=(SCNMAX(INSTR)+SCAN)/SCNPX(INSTR)+1.0D0 RETURN END C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : EVLN C** SOURCE : F.EVLN C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 10/27/88 IL INITIAL CREATION C*********************************************************************** C** C** THIS FUNCTION CONVERTS FRACTIONAL LINE NUMBER TO ELEVATION ANGLE C** IN RADIANS. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** FUNCTION EVLN(INSTR,RLINE) C C CALLING PARAMETERS C INTEGER INSTR C INSTRUMENT CODE (1-IMAGER, 2-SOUNDER) REAL*8 EVLN,RLINE C FRACTIONAL LINE NUMBER C C LOCAL VARIABLES - NONE C C C INCLUDE FILES C INCLUDE 'instco.inc' C*********************************************************************** IF (INSTR.EQ.1) THEN EVLN=ELVMAX(INSTR)*1.0D0 - (RLINE-4.5 )*(ELVLN(INSTR)*1.0D0) ELSE EVLN=ELVMAX(INSTR)*1.0D0 - (RLINE + -2.5D0)*(ELVLN(INSTR)*1.0D0) END IF RETURN END C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : SCPX C** SOURCE : F.SCPX C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 09/22/87 IL INITIAL CREATION C*********************************************************************** C** C** THIS FUNCTION CONVERTS FRACTIONAL PIXEL NUMBER TO SCAN ANGLE C** IN RADIANS. C** C*********************************************************************** C** C** CALLED BY : ANY C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** FUNCTION SCPX(INSTR,PIX) C C CALLING PARAMETERS C INTEGER INSTR C INSTRUMENT CODE (1-IMAGER, 2-SOUNDER) REAL*8 SCPX,PIX C FRACTIONAL PIXEL NUMBER C C LOCAL VARIABLES C C C INCLUDE FILES C INCLUDE 'instco.inc' C*********************************************************************** SCPX=((PIX*1.0D0)-1.0D0)*(SCNPX(INSTR)*1.0D0) + -(SCNMAX(INSTR)*1.0D0) RETURN END C*********************************************************************** C** C** INTEGRAL SYSTEMS, INC. C** C*********************************************************************** C** C** PROJECT : OPERATIONS GROUND EQUIPMENT FOR GOES-NEXT C** SYSTEM : EARTH LOCATION USERS GUIDE C** ROUTINE : GATT C** SOURCE : F.GATT C** LOAD NAME : ANY C** PROGRAMMER: IGOR LEVINE C** C** VER. DATA BY COMMENT C** ---- -------- --- --------------------------------------------- C** A 12/01/88 IL INITIAL CREATION C** C*********************************************************************** C** C** THIS FUNCTION COMPUTES AN ATTITUDE/MISALIGNMENT ANGLE FROM A C** GIVEN SUBSET OF THE O&A PARAMETERS IN GVAR BLOK 0. C** ARGUMENT K0 INDICATES THE FIRST WORD OF THE SUBSET. C** C*********************************************************************** C** C** CALLED BY : LMODEL C** COMMONS MODIFIED: NONE C** INPUTS : NONE C** OUTPUTS : NONE C** ROUTINES CALLED : NONE C** C*********************************************************************** C*********************************************************************** FUNCTION GATT(K0,REC,WA,TE) C C CALLING PARAMETERS C INTEGER K0 C STARTING POSITION OF A PARAMETER SUBSET IN THE C O&A SET REAL*8 REC(336) C INPUT O&A PARAMETER SET REAL*8 WA C INPUT SOLAR ORBIT ANGLE IN RADIANS REAL*8 TE C INPUT EXPONENTIAL TIME DELAY FROM EPOCH (MINUTES) C C LOCAL VARIABLES C INTEGER*4 I,J,M,L,LL,K REAL*8 GATT,IR,JR,MR,ATT EQUIVALENCE (J,JR),(M,MR) C C INCLUDE FILES C C*********************************************************************** C C CONSTANT COMPONENT C K=K0 ATT=REC(K+2) C C COMPUTES THE EXPONENTIAL TERM C IF ((TE.GE.0.0D0).AND.(REC(K+1).GT. 0))THEN ATT=ATT+REC(K)*DEXP(-TE/REC(K+1)) ENDIF C C EXTRACTS THE NUMBER OF SINUSOIDS C IR=REC(K+3) I = INT(IR) C C CALCULATION OF SINUSOIDS C DO 10 L=1,I ATT=ATT+REC(K+2*L+2)*DCOS(WA*L+REC(K+2*L+3)) 10 CONTINUE C C POINTER TO THE NUMBER OF MONOMIAL SINUSOIDS C K=K+34 C C EXTACTS NUMBER OF MONOMIAL SINUSOIDS C IR=REC(K) I=INT(IR) C KKK=REC(K) C C COMPUTES MONOMIAL SINUSOIDS C DO 20 L=1,I LL=K+5*L C C ORDER OF SINUSOID C JR=REC(LL-4) C C ORDER OF MONOMIAL SINUSOID C MR=REC(LL-3) C ATT=ATT+REC(LL-2)*((WA-REC(LL))**M)*DCOS(J*WA+REC(LL-1)) 20 CONTINUE GATT=ATT RETURN END C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C DLAT,DLON...... 50.00000 -150.00000 (15X,F9.5,2X,F10.5) C LINE...(1),(2). 3584 1230 (15X,I5,2X,I5) C IPIXEL.(1),(2).10253 1155 (15X,I5,2X,I5) C KEY............0 (15X,I1) C IMC............1 (15X,I1) C INSTR..........2 (15X,I1) C EPOCH TIME.....1989032062934.567 (15X,I4,I3,2I2,F6.3) C START TIME.....1989032064934.567 (15X,I4,I3,2I2,F6.3) C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C DLAT ---------- LATITUDE (NEGATIVE IS SOUTH)(F9.5) C DLON ---------- LONGITUDE (NEGATIVE IS WEST)(F10.5) C LINE(2) ------- LINE NO. (SEE INSTR FOR LINE(INSTR)(I5) C IPIXEL(2) ----- PIXEL NO. (SEE INSTR FOR IPIXEL(INSTR)(I5) C KEY ----------- 0 = LINE/PIXEL TO LAT/LON CONVERSION. C 1 = LAT/LON TO LINE/PIXEL CONVERSION. C IMC ----------- IMC STATUS (0=IMC ON, 1=IMC OFF) C INSTR --------- INSTRUMENT (1=IMAGER, 2=SOUNDER) C EPOCH TIME----- YEAR, J-DAY, HOUR, MINUTE, SECONDS C START TIME----- YEAR, J-DAY, HOUR, MINUTE, SECONDS C TEST FOR USER:INPUT DATA BLOCK(UNNUM DATA BLOCK).......... C FIFTY(50) LINES AVAILABLE FOR USE IN INPUT BLOCK.......... C*********************************************************************** C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * C* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
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# This file is part of astro_metadata_translator. # # Developed for the LSST Data Management System. # This product includes software developed by the LSST Project # (http://www.lsst.org). # See the LICENSE file at the top-level directory of this distribution # for details of code ownership. # # Use of this source code is governed by a 3-clause BSD-style # license that can be found in the LICENSE file. """Properties calculated by this package. Defines all properties in one place so that both `ObservationInfo` and `MetadataTranslator` can use them. In particular, the translator base class can use knowledge of these properties to predefine translation stubs with documentation attached, and `ObservationInfo` can automatically define the getter methods. """ __all__ = ("PROPERTIES", ) import astropy.coordinates import astropy.time import astropy.units # Dict of properties to tuple where tuple is: # - description of property # - Python type of property as a string (suitable for docstrings) PROPERTIES = {"telescope": ("Full name of the telescope.", "str", str), "instrument": ("The instrument used to observe the exposure.", "str", str), "location": ("Location of the observatory.", "astropy.coordinates.EarthLocation", astropy.coordinates.EarthLocation), "exposure_id": ("Unique (with instrument) integer identifier for this observation.", "int", int), "visit_id": ("""ID of the Visit this Exposure is associated with. Science observations should essentially always be associated with a visit, but calibration observations may not be.""", "int", int), "physical_filter": ("The bandpass filter used for this observation.", "str", str), "datetime_begin": ("Time of the start of the observation.", "astropy.time.Time", astropy.time.Time), "datetime_end": ("Time of the end of the observation.", "astropy.time.Time", astropy.time.Time), "exposure_time": ("Duration of the exposure with shutter open (seconds).", "astropy.units.Quantity", astropy.units.Quantity), "dark_time": ("Duration of the exposure with shutter closed (seconds).", "astropy.units.Quantity", astropy.units.Quantity), "boresight_airmass": ("Airmass of the boresight of the telescope.", "float", float), "boresight_rotation_angle": ("Angle of the instrument in boresight_rotation_coord frame.", "astropy.coordinates.Angle", astropy.coordinates.Angle), "boresight_rotation_coord": ("Coordinate frame of the instrument rotation angle" " (options: sky, unknown).", "str", str), "detector_num": ("Unique (for instrument) integer identifier for the sensor.", "int", int), "detector_name": ("Name of the detector within the instrument (might not be unique" " if there are detector groups).", "str", str), "detector_unique_name": ("Unique name of the detector within the focal plane, generally" " combining detector_group with detector_name.", "str", str), "detector_serial": ("Serial number/string associated with this detector.", "str", str), "detector_group": ("Collection name of which this detector is a part. " "Can be None if there are no detector groupings.", "str", str), "detector_exposure_id": ("Unique integer identifier for this detector in this exposure.", "int", int), "object": ("Object of interest or field name.", "str", str), "temperature": ("Temperature outside the dome.", "astropy.units.Quantity", astropy.units.Quantity), "pressure": ("Atmospheric pressure outside the dome.", "astropy.units.Quantity", astropy.units.Quantity), "relative_humidity": ("Relative humidity outside the dome.", "float", float), "tracking_radec": ("Requested RA/Dec to track.", "astropy.coordinates.SkyCoord", astropy.coordinates.SkyCoord), "altaz_begin": ("Telescope boresight azimuth and elevation at start of observation.", "astropy.coordinates.AltAz", astropy.coordinates.AltAz), "science_program": ("Observing program (survey or proposal) identifier.", "str", str), "observation_type": ("Type of observation (currently: science, dark, flat, bias, focus).", "str", str), "observation_id": ("Label uniquely identifying this observation " "(can be related to 'exposure_id').", "str", str), "exposure_group": ("Label to use to associate this exposure with others " "(can be related to 'exposure_id').", "str", str), }
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import DataStore testStore : DataStore (SString .+. SString .+. SInt) testStore = addToStore ("Mercury", "Mariner 10", 1974) $ addToStore ("Venus", "Venera", 1961) $ addToStore ("Uranus", "Voyager 2", 1986) $ addToStore ("Pluto", "New Horizons", 2015) $ empty listItems : DataStore schema -> List (SchemaType schema) listItems input with (storeView input) listItems DataStore.empty | SNil = [] listItems (addToStore entry store) | (SAdd entry store rec) = entry :: listItems store | rec filterKeys : (test : SchemaType val_schema -> Bool) -> DataStore (SString .+. val_schema) -> List String filterKeys test input with (storeView input) filterKeys test DataStore.empty | SNil = [] filterKeys test (addToStore (key, value) store) | (SAdd (key, value) store rec) = if test value then key :: filterKeys test store | rec else filterKeys test store | rec
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import pandas as pd import numpy as np import schedule as sc def find_similars_days(f_list,s_list): list_days=[] for i in f_list: for j in s_list: if i==j: result=True list_days.append(i) #return result return list_days def find_similars_hours(f_list,s_list): list_hours=[] for i in f_list: for j in s_list: if i==j: result=True list_hours.append(i) #continue return list_hours class Client: tel_number='' lec_days=[] time_period=[] def __init__(self,tel_number,lec_days,time_period): self.tel_number = tel_number self.lec_days = lec_days self.time_period = time_period def set_tel_number(self,tel_number): self.tel_number = tel_number def set_lec_days(self,lec_days): self.lec_days = lec_days def set_time_period(self,time_period): self.time_period = time_period def get_tel_number(self): return self.tel_number def get_lec_days(self): return self.lec_days def get_time_period(self): return self.time_period.strftime("%H:%M:%S").tolist() first_client=Client('380965217864',['Saturday','Sunday'],pd.date_range("18:00", "18:30", freq="30min")) second_client=Client('380500397333',['Saturday','Sunday'],pd.date_range("12:00", "20:30", freq="30min")) third_client=Client('380505878609',['Tuesday'],pd.date_range("18:00", "18:30", freq="30min")) fourth_client=Client('380961623961',['Saturday','Sunday'],pd.date_range("17:00", "20:30", freq="30min")) fifth_client=Client('380950858030',['Sunday'],pd.date_range("20:00", "20:30", freq="30min")) sixth_client=Client('380930252818',['Monday','Tuesday','Wednesday','Thursday','Friday'],pd.date_range("13:14", "18:20", freq="30min")) seventh_client=Client('380960828714',['Tuesday','Friday'],pd.date_range("09:00", "13:00", freq="30min")) eight_client=Client('380955546535',['Sunday'],pd.date_range("18:00", "20:00", freq="30min")) nineth_client=Client('380674867255',['Monday','Tuesday','Wednesday','Thursday','Friday'],pd.date_range("10:00", "16:30", freq="30min")) tenth_client=Client('380976233984',['Saturday'],pd.date_range("13:00", "14:00", freq="30min")) base={0:first_client,1:second_client,2:third_client,3:fourth_client,4:fifth_client,5:sixth_client,6:seventh_client,7:eight_client,8:nineth_client,9:tenth_client} def set_schedule(f_client,s_client): f_condition=find_similars_days(f_client.get_lec_days(),s_client.get_lec_days()) s_condition=find_similars_hours(f_client.get_time_period(),s_client.get_time_period()) if len(f_condition)!=0 and len(s_condition)!=0: schedule_clients=sc.Schedule(str(f_condition[0]),str(f_client.get_tel_number()),str(s_client.get_tel_number()),str(s_condition[0])) #print("Phone number of first client : "+str(f_client.get_tel_number())+" Phone number of second client : "+str(s_client.get_tel_number())+" days for practice: "+str(f_condition[0])+" hours for practice: "+str(s_condition[0])) scheduleString=str(f_condition[0])+' '+str(f_client.get_tel_number())+" "+str(s_client.get_tel_number())+' ('+str(s_condition[0])+') |' return scheduleString schStr='' for i in range(0,len(base)-1): for j in range(0,len(base)-1): sch=set_schedule(base[i],base[j+1]) if(sch!=None): schStr+=sch #print(sch) list_sch=schStr.split("|") #print(list_sch) list_monday=[] list_sunday=[] list_tuesday=[] list_saturday=[] for i in list_sch: if 'Monday' in i: list_monday.append(i) elif 'Saturday' in i: list_saturday.append(i) elif 'Sunday' in i: list_sunday.append(i) elif 'Tuesday' in i: list_tuesday.append(i) print('Monday:') for i in list_monday: print(i.replace('Monday',' ')) print('Tuesday:') for i in list_tuesday: print(i.replace('Tuesday',' ')) print('Saturday:') for i in list_saturday: print(i.replace('Saturday',' ')) print('Sunday:') for i in list_sunday: print(i.replace('Sunday',' ')) #print(type(pd.date_range("11:00", "21:30", freq="30min")))
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from analysis.patterns_in_bio_data import bio_data_runs import numpy as np from matplotlib import pylab as plt from analysis.functions import bio_process # importing the list of all runs of the bio data from the function 'bio_data_runs' bio_runs = bio_data_runs() # calculating the mean value of all runs mean_data = list(map(lambda elements: np.mean(elements), zip(*bio_runs))) # number of slices num_slices = int(len(mean_data) / 100) slices = [] offset = 0 yticks = [] step = 0.25 # forming list for shadows plotting all_bio_slices = [] for k in range(len(bio_runs)): bio_slices= [] offset= 0 for i in range(int(len(bio_runs[k]) / 100)): bio_slices_tmp = [] for j in range(offset, offset + 100): bio_slices_tmp.append(bio_runs[k][j]) bio_slices.append(bio_slices_tmp) offset += 100 all_bio_slices.append(bio_slices) # list [4][16][100] all_bio_slices = list(zip(*all_bio_slices)) # list [16][4][100] # creating the list of lists (dots per slice) offset = 0 for sl in range(num_slices): slices_tmp = [] for dot in range(offset, offset + 100): slices_tmp.append(mean_data[dot]) slices.append(slices_tmp) offset += 100 # creating the list of dots of stimulations stimulations = [] for stim in range(0, 1601, 100): stimulations.append(stim) print(stimulations) # creating the list of lists (volts and stimulations) volts_and_stims = [] volts_and_stims.append(mean_data) volts_and_stims.append(stimulations) # calculating the latencies lat_amp = bio_process(volts_and_stims, 16) latencies = lat_amp[0] print("latencies = ", latencies) # creating the list of x & y coordinates of the lines x_coor = [] y_coor = [] # plotting the slices for index, sl in enumerate(all_bio_slices): offset = index * 10 times = [time * step for time in range(len(all_bio_slices[0][0]))] for run in range(len(sl)): plt.plot(times, [s + offset for s in sl[run]], color='gray') for index, run in enumerate(slices): offset = index * 10 yticks.append(run[0] + offset) times = [time * step for time in range(len(run))] plt.plot(times, [s + offset for s in run], linewidth=3) # plotting of the dots plt.plot(latencies[index], run[int(latencies[index] / step)] + offset, marker='.', markersize=8) # pltting of the lines x_coor.append(latencies[index]) y_coor.append(run[int(latencies[index] / step)] + offset) x_2_coors = [] y_2_coors = [] if len(x_coor) > 1: x_2_coors.append(x_coor[-2]) x_2_coors.append(x_coor[-1]) y_2_coors.append(y_coor[-2]) y_2_coors.append(y_coor[-1]) plt.plot(x_2_coors, y_2_coors, linestyle='--', color='black') plt.xticks(range(26), [i if i % 1 == 0 else "" for i in range(26)], fontsize=14) plt.yticks(yticks, range(1, len(slices) + 1), fontsize=14) plt.xlim(0, 25) plt.grid(which='major', axis='x', linestyle='--', linewidth=0.5) plt.show()
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# -*- coding: utf-8 -*- """ Created on Wed Jul 20 15:12:49 2016 @author: uzivatel """ import numpy as np import scipy from functools import partial from copy import deepcopy from .general import Coordinate,Grid from ...General.UnitsManager import PositionUnitsManaged,position_units from ...General.types import UnitsManaged from ..positioningTools import RotateAndMove, RotateAndMove_1, CenterMolecule class DensityGrid(PositionUnitsManaged): ''' Class representing electronic density on spatial grid (e.g. molecular orbitals, transition density, ...) origin : numpy.array of real (dimension 3) origin of density grid (Position managed units) grid : numpy.array of integer (dimension 3) number of grid points at each dimension step : numpy.array of real (dimension 3x3) step[i,:] translational vector in first dimension (Position managed units) data : numpy.array of real (dimension Npoints_x x Npoints_y x Npoints_z) Density values on the grid. data[i,j,k] correspond to the point with coordinates self.origin+i*self.step[0,:]+j*self.step[1,:]+kk*self.step[2,:] type : string If ``typ='mo'`` density values correspond to real wavefunction otherwise it is an electron density indx : integer Index of molecular orbital to which wavefunction correspond coor : Coordinate class Atomic coordinates for every atom in the molecule or complex. (Position managed units) at_charge : numpy array of real, integer or string (dimension Natoms) Proton number for every atom in the molecule or complex Functions ---------- rotate : Rotate the density and all its properties by specified angles in radians in positive direction. rotate_1 : Inverse totation to rotate move : Moves the density and all its properties along specified vector center : Center the density and allign in defined plane copy : Create 1 to 1 deep copy of the density with all classes and types. import_cub : Read density from cube file output : Outputs density into cube file get_axes : Outputs x, y and z axis of the grid on which density is evaluated (only for nonrotated grid - oriented along coordinate axis) copy : Create 1 to 1 deep copy of the density with all classes and types. dipole : Numerical calculation of dipole from the density dipole_partial : Numerical calculation of dipole for only specified spatial cut of the density. (only for nonrotated grid - oriented along coordinate axis) cut : Spatial cut of the density which is outputed as a new density. (only for nonrotated grid - oriented along coordinate axis) calc_atomic_properties : Calculate atomic charges and dipoles from numerical integration of the density into individual atoms. Quantity from grid point will be assigned to nearest atom. ''' origin=UnitsManaged("origin") step=UnitsManaged("step") def __init__(self,origin,grid,step,density,typ='mo',mo_indx=1,Coor=None,At_charge=None): if origin is None: self.origin=None else: self.origin = np.copy(origin) if grid is None: self.grid=None else: self.grid = np.copy(grid) if step is None: self.step=None else: self.step = np.copy(step) if density is None: self.data=None else: self.data = np.copy(density) self.type = typ self.indx = mo_indx if Coor is None: self.coor=None else: self.coor = Coordinate(Coor) self.at_charge = np.copy(At_charge) def output(self,filename='density.cub'): ''' Output density to cube file Parameters ---------- filename : string (optional - init='density.cub') Output file name including the path to output folder ''' with position_units('Bohr'): Coor = np.copy(self.coor.value) Grid = np.copy(self.grid) Step = np.copy(self.step) At_charge = np.copy(self.at_charge) with open(filename, "wt") as f: # Vypis hlavicky f.write("____Zde muze byt napsano cokoliv____ \n MO coefficients \n") # f.write(" %i %5.2f %5.2f %5.2f \n" % (-len(qc.at_coord),min_[0],min_[1],min_[2])) if self.type=='mo': f.write("{:5d}".format(-len(Coor))) else: f.write("{:5d}".format(len(Coor))) for ii in range(3): f.write("{:12.6f}".format(self.origin[ii])) f.write("{:5d}\n".format(1)) f.write("{:5d}{:12.6f}{:12.6f}{:12.6f}\n".format(Grid[0], Step[0,0], Step[0,1], Step[0,2] )) f.write("{:5d}{:12.6f}{:12.6f}{:12.6f}\n".format(Grid[1], Step[1,0], Step[1,1], Step[1,2] )) f.write("{:5d}{:12.6f}{:12.6f}{:12.6f}\n".format(Grid[2], Step[2,0], Step[2,1], Step[2,2] )) for ii in range(len(Coor)): f.write("{:5d}{:12.6f}{:12.6f}{:12.6f}{:12.6f}\n".format(int(float(At_charge[ii])), float(At_charge[ii]), Coor[ii,0], Coor[ii,1], Coor[ii,2])) if self.type=='mo': f.write("{:5d}{:5d}\n".format(1, self.indx)) # vypis molekuloveho orbitalu na gridu for ii in range(self.grid[0]): for jj in range(self.grid[1]): for kk in range(self.grid[2]): f.write("{:13.5E}".format(self.data[ii,jj,kk])) if (kk % 6) == 5: f.write("\n") #f.write("\n") if self.grid[2]%6!=0: f.write("\n") def import_cub(self,filename): ''' Import data from density cube file Parameters ---------- filename : string Imput file name (.cub) including the path to file folder ''' origin=np.zeros(3,dtype='f8') self.grid=np.zeros(3,dtype='i8') step=np.zeros((3,3),dtype='f8') fid = open(filename,'r') # Open the file flines = fid.readlines() # Read the WHOLE file into RAM fid.close() # Close the file thisline = flines[2].split() Natom=np.abs(int(thisline[0])) if int(thisline[0]) < 0: self.type='mo' else: self.type='transition' self.at_charge=np.zeros(Natom,dtype='f') Coor=np.zeros((Natom,3),dtype='f8') for ii in range(3): origin[ii]=float(thisline[ii+1]) for kk in range(3): thisline = flines[kk+3].split() self.grid[kk]=int(thisline[0]) for ii in range(3): step[kk,ii]=float(thisline[ii+1]) # atomic information: for kk in range(Natom): thisline = flines[kk+6].split() self.at_charge[kk]=float(thisline[1]) for ii in range(3): Coor[kk,ii]=float(thisline[ii+2]) if self.type=='mo': thisline = flines[Natom+6].split() self.indx=int(thisline[1]) il=7 else: il=6 with position_units('Bohr'): self.coor=Coordinate(Coor) self.origin=origin.copy() self.step=step.copy() # read density self.data=np.zeros((self.grid[0],self.grid[1],self.grid[2]),dtype='f8') counter=np.zeros(3,dtype='i8') for kk in range(Natom+il,len(flines)): line = flines[kk] # The current line as string thisline = line.split() # The current line split into segments for ii in range(6): self.data[counter[0],counter[1],counter[2]]=float(thisline[ii]) counter[2]+=1 if counter[2]==self.grid[2]: counter[2]=0 counter[1]+=1 if counter[1]==self.grid[1]: counter[1]=0 counter[0]+=1 break def get_axes(self): """ Outputs x, y and z axis of the grid. ** Working only for grid oriented along coordinate axis (nonrotated grid)** Returns -------- x,y,z : numpy array of float (dimension Grid_Nx, Grid_Ny, Grid_Nz) Coordinates of grid points in coordinate axes """ print("Working only for nonrotated grid oriented along coordinate axes") x=np.arange(self.grid[0])*self.step[0,0]+self.origin[0] y=np.arange(self.grid[1])*self.step[1,1]+self.origin[1] z=np.arange(self.grid[2])*self.step[2,2]+self.origin[2] return x,y,z def copy(self): ''' Copy DensityGrid class variable into the new one Returns ---------- density_new : DensityGrid class New DensityGrid class variable with exactly the same values as the original one Notes ---------- We have to use this function because simple density_new=density_old only create pointer to the old density and therefore all changes in density_new would be also done on density_old and this is what we don't want ''' density_new = deepcopy(self) return density_new def move(self,dx,dy,dz): ''' Moves density grid in space Parameters ---------- dx,dy,dz : real Distance of density shift along x resp. y resp. z axis. ''' vec=np.array([dx,dy,dz],dtype='f8') self.origin=self.origin+vec self.coor.move(dx,dy,dz) def rotate(self,rotxy,rotxz,rotyz): ''' Rotate DENSITY in SPACE in positive rotational angle (if right thumb pointing in direction of axes fingers are pointing in positive rotation direction). First is rotation aroud z axes then around y axes and then around x axes. Parameters ---------- rotxy,rotxz,rotyz : real `rotxy` resp. `rotxz` resp. `rotyz` is angle in RADIANS of rotation around z resp. y resp. x axis in positive direction ''' # Rotation handled in atomic units #print('Pred rotaci') self._origin=RotateAndMove(np.array([self._origin]),0.0,0.0,0.0,rotxy,rotxz,rotyz) self.coor.rotate(rotxy,rotxz,rotyz) self._step=RotateAndMove(self._step,0.0,0.0,0.0,rotxy,rotxz,rotyz) #print('Po rotaci') def rotate_1(self,rotxy,rotxz,rotyz): ''' Rotate DENSITY in SPACE in negative rotational angle (if right thumb pointing in direction of axes fingers are pointing in positive rotation direction). First is rotation aroud x axes then around y axes and then around z axes. Inverse function to rotate(rotxy,rotxz,rotyz) Parameters ---------- rotxy,rotxz,rotyz : real `rotxy` resp. `rotxz` resp. `rotyz` is angle in RADIANS of rotation around z resp. y resp. x axis in positive direction ''' #print('Pred rotaci') self._origin=RotateAndMove_1(np.array([self._origin]),0.0,0.0,0.0,rotxy,rotxz,rotyz) self.coor.rotate_1(rotxy,rotxz,rotyz) self._step=RotateAndMove_1(self._step,0.0,0.0,0.0,rotxy,rotxz,rotyz) #print('Po rotaci') def center(self,indx_center,indx_x,indx_y): ''' Center density according to defined center and main axes Center atom will be in origin of coordinate system (will have [0.0,0.0,0.0] coordinates) and vector X will be pointing into direction of x axes and vector Y will be in xy plane. Vector X and Y are defined by atomic indexes. Parameters ---------- indx_center : int or list of int When `indx_center`=i it refers to atomic coordnitate of ith atom (counted from zero) => center=coor[i,:]. When `indx_center`=[i,j,k,..] than center is center of all listed atoms (average coordinate) => center=(coor[i,:]+coor[j,:]+coor[k,:]...)/N indx_x : int or list of int of length 2 or 4 When `indx_x`=i than vector X is defined as Coor[i,:]-center. When `indx_x`=[i,j] than vector X is defined as Coor[j,:]-Coor[i,:]. When `indx_x`=[i,j,k,l] than vector X is defined as (Coor[j,:]-Coor[i,:])+(Coor[l,:]-Coor[k,:]). indx_y : int or list of int of length 2 or 4 When `indx_y`=i than vector Y is defined as Coor[i,:]-center. When `indx_y`=[i,j] than vector Y is defined as Coor[j,:]-Coor[i,:]. When `indx_y`=[i,j,k,l] than vector Y is defined as (Coor[j,:]-Coor[i,:])+(Coor[l,:]-Coor[k,:]). ''' Coor_ext=[] for ii in range(len(self.coor._value)): Coor_ext.append(self.coor._value[ii]) Coor_ext.append(self._origin) Coor_ext=np.array(Coor_ext) Coor_centered,Phi,Psi,Chi,center=CenterMolecule(Coor_ext,indx_center,indx_x,indx_y,print_angles=True) with position_units("Bohr"): self.coor=Coordinate(Coor_centered[0,:]) for ii in range(1,len(Coor_centered)-1): self.coor.add_coor(Coor_centered[ii,:]) self._origin=Coor_centered[len(self.coor._value),:] self._step=RotateAndMove(self._step,0.0,0.0,0.0,Phi,Psi,Chi) def dipole(self,output_center=False): ''' Calculate numericaly dipole from density. For ground state electron density it calculates ground state dipole and fror transition density it calculates transition dipole Returns ---------- dipole : numpy.array of real (dimension 3) dipole in ATOMIC UNITS (e*bohr) Notes ---------- It calculates Int{-r.rho(r)dxdydz} which is dipole ''' # TODO: repair matrix approach to be used also for rotated density if 0: # This works only for nonrotated grid - change but keep the idea grid=Grid() grid.init_from_cub(self) dipole=np.zeros(3,dtype='f8') dipole[0]=np.sum(np.multiply(grid.X,self.data)) dipole[1]=np.sum(np.multiply(grid.Y,self.data)) dipole[2]=np.sum(np.multiply(grid.Z,self.data)) dipole = -np.multiply(grid.ddV,dipole) dV=np.dot(self.step[0,:],np.cross(self.step[1,:],self.step[2,:])) dipole=np.multiply(-dV,dipole) return dipole else: # more efficient would be to create 3D grids with coordinates then multiply and then sum all dipole = np.zeros(3,dtype='f8') center = np.zeros(3,dtype='f8') for ii in range(self.grid[0]): for jj in range(self.grid[1]): for kk in range(self.grid[2]): rr=self._origin+ii*self._step[0,:]+jj*self._step[1,:]+kk*self._step[2,:] dipole+=self.data[ii,jj,kk]*rr center+=np.abs(self.data[ii,jj,kk])*rr dV=np.dot(self._step[0,:],np.cross(self._step[1,:],self._step[2,:])) dipole=dipole*dV center = center/np.sum(np.abs(self.data)) print('Dipole calculated by function dipole was chaged from -dipole to dipole. Make sure that you are using right value') if output_center: return -dipole,center else: return -dipole def dipole_partial(self,x_min=None,x_max=None,y_min=None,y_max=None,z_min=None,z_max=None): ''' Calculate numericaly dipole from part of the density. For ground state electron density it calculates ground state partial dipole and from transition density it calculates partial transition dipole. Parameters ---------- x_min,x_max : real (optional - init=None) Specifies minimal and maximal x coordinate between which density is used for calculation of dipole. If some of those values are not specified there is taken minimal resp. maximal x coordinate of the density. y_min,y_max : real (optional - init=None) Specifies minimal and maximal y coordinate between which density is used for calculation of dipole. If some of those values are not specified there is taken minimal resp. maximal y coordinate of the density. z_min,z_max : real (optional - init=None) Specifies minimal and maximal z coordinate between which density is used for calculation of dipole. If some of those values are not specified there is taken minimal resp. maximal z coordinate of the density. Returns ---------- dipole : numpy.array of real (dimension 3) dipole in ATOMIC UNITS (e*bohr) Notes Resulting dipole is numericaly calculated integral Int_{x_min,y_min,z_min}^{x_max,y_max,z_max} (-r.rho(r))dxdydz ''' if x_min==None: x_min=-1.0e5 else: x_min=PositionUnitsManaged.manager.convert_position_2_internal_u(x_min) if x_max==None: x_max=1.0e5 else: x_max=PositionUnitsManaged.manager.convert_position_2_internal_u(x_max) if y_min==None: y_min=-1.0e5 else: y_min=PositionUnitsManaged.manager.convert_position_2_internal_u(y_min) if y_max==None: y_max=1.0e5 else: y_max=PositionUnitsManaged.manager.convert_position_2_internal_u(y_max) if z_min==None: z_min=-1.0e5 else: z_min=PositionUnitsManaged.manager.convert_position_2_internal_u(z_min) if z_max==None: z_max=1.0e5 else: z_max=PositionUnitsManaged.manager.convert_position_2_internal_u(z_max) # TODO: Convert boundaries from current values to internal #print(x_min,x_max,y_min,y_max,z_min,z_max) dipole=np.zeros(3,dtype='f8') for ii in range(self.grid[0]): for jj in range(self.grid[1]): for kk in range(self.grid[2]): rr=self._origin+ii*self._step[0,:]+jj*self._step[1,:]+kk*self._step[2,:] if rr[0]>=x_min and rr[0]<=x_max and rr[1]>=y_min and rr[1]<=y_max and rr[2]>=z_min and rr[2]<=z_max: dipole+=self.data[ii,jj,kk]*rr dV=np.dot(self._step[0,:],np.cross(self._step[1,:],self._step[2,:])) dipole=dipole*dV print('Dipole calculated by function dipole_partial was chaged from -dipole to dipole. Make sure that you are using right value') return -dipole def cut(self,x_min=None,x_max=None,y_min=None,y_max=None,z_min=None,z_max=None): ''' Takes a cut of density. **Works only for original (nonrotated) transition density with step[0,:] pointing along x axis, step[1,:] pointing along y axis and step[2,:] pointing along z axis.** Parameters ---------- x_min,x_max : real (optional - init=None) Specifies minimal and maximal x coordinate in ATOMIC UNITS (Bohr) between which density is outputed. If some of those values are not specified there is taken minimal resp. maximal x coordinate of the density y_min,y_max : real (optional - init=None) Specifies minimal and maximal y coordinate in ATOMIC UNITS (Bohr) between which density is outputed. If some of those values are not specified there is taken minimal resp. maximal y coordinate of the density z_min,z_max : real (optional - init=None) Specifies minimal and maximal z coordinate in ATOMIC UNITS (Bohr) between which density is outputed. If some of those values are not specified there is taken minimal resp. maximal z coordinate of the density Returns ---------- cuted_density : DensityGrid class DensityGrid class with desity which is subsystem of original density and it is defined on grid points with coordinates: x_min <= x <= x_max, y_min <= y <= y_max and z_min <= z <= z_max. ''' if x_min==None: if self._step[0,0]>0: x_min=self._origin[0] else: x_min=self._origin[0]+self._step[0,0]*(self.grid[0]-1) else: x_min=PositionUnitsManaged.manager.convert_position_2_internal_u(x_min) if x_max==None: if self._step[0,0]>0: x_max=self._origin[0]+self._step[0,0]*(self.grid[0]-1) else: x_max=self._origin[0] else: x_max=PositionUnitsManaged.manager.convert_position_2_internal_u(x_max) if y_min==None: if self._step[1,1]>0: y_min=self._origin[1] else: y_min=self._origin[1]+self._step[1,1]*(self.grid[1]-1) else: y_min=PositionUnitsManaged.manager.convert_position_2_internal_u(y_min) if y_max==None: if self._step[1,1]>0: y_max=self._origin[1]+self._step[1,1]*(self.grid[1]-1) else: y_max=self._origin[1] else: y_max=PositionUnitsManaged.manager.convert_position_2_internal_u(y_max) if z_min==None: if self._step[2,2]>0: z_min=self._origin[2] else: z_min=self._origin[2]+self._step[2,2]*(self.grid[2]-1) else: z_min=PositionUnitsManaged.manager.convert_position_2_internal_u(z_min) if z_max==None: if self._step[2,2]>0: z_max=self._origin[2]+self._step[2,2]*(self.grid[2]-1) else: z_max=self._origin[2] else: z_max=PositionUnitsManaged.manager.convert_position_2_internal_u(z_max) #print(x_min,x_max,y_min,y_max,z_min,z_max) x=[0,0] if self._step[0,0]>0: for ii in range(self.grid[0]): if self._origin[0]+self._step[0,0]*ii<x_min: x[0]=ii+1 elif self._origin[0]+self._step[0,0]*ii>x_max and x[1]==0: x[1]=ii-1 if x[1]==0: x[1]=self.grid[0] else: for ii in range(self.grid[0]): if self._origin[0]+self._step[0,0]*ii>x_max: x[0]=ii+1 elif self._origin[0]+self._step[0,0]*ii<x_min and x[1]==0: x[1]=ii-1 if x[1]==0: x[1]=self.grid[0] y=[0,0] if self._step[1,1]>0: for ii in range(self.grid[1]): if self._origin[1]+self._step[1,1]*ii<y_min: y[0]=ii+1 elif self._origin[1]+self._step[1,1]*ii>y_max and y[1]==0: y[1]=ii-1 if y[1]==0: y[1]=self.grid[1] else: for ii in range(self.grid[1]): if self._origin[1]+self._step[1,1]*ii>y_max: y[0]=ii+1 elif self._origin[1]+self._step[1,1]*ii<y_min and y[1]==0: y[1]=ii-1 if y[1]==0: y[1]=self.grid[0] z=[0,0] if self._step[2,2]>0: for ii in range(self.grid[2]): if self._origin[2]+self._step[2,2]*ii<z_min: z[0]=ii+1 elif self._origin[2]+self._step[2,2]*ii>z_max and z[1]==0: z[1]=ii-1 if z[1]==0: z[1]=self.grid[2] else: print('z is negative') for ii in range(self.grid[2]): if self._origin[2]+self._step[2,2]*ii>z_max: z[0]=ii+1 elif self._origin[2]+self._step[2,2]*ii<z_min and z[1]==0: z[1]=ii-1 if z[1]==0: z[1]=self.grid[2] #print(x,y,z) origin_new=self._origin[:]+self._step[0,:]*x[0]+self._step[1,:]*y[0]+self._step[2,:]*z[0] grid_new=np.array([x[1]-x[0],y[1]-y[0],z[1]-z[0]]) data_new=self.data[x[0]:x[1],y[0]:y[1],z[0]:z[1]] step_new=np.copy(self._step) with position_units("Bohr"): cuted_density=DensityGrid(origin_new,grid_new,step_new,data_new,typ=np.copy(self.type),mo_indx=np.copy(self.indx),Coor=np.copy(self.coor.value),At_charge=np.copy(self.at_charge)) return cuted_density def calc_atomic_properties(self): ''' Calculate atomic charges and atomic dipoles by numericaly integrating density. Fisrt it is determined to which atom the grid point is the closest and to this atom small delta charge and dipole is added. Atomic charges are calculated as a sum of density from grid points for which this atom is the closest one. The atomic dipoles are calculated as vector from atom to grid point multiplied by density. Returns ---------- charges : numpy.array of real (dimension Natoms) Atomic charges for every atom of the system dipoles : numpy.array of real (dimension Natoms x 3) Atomic dipole in ATOMIC UNITS (e*bohr) for every atom ''' Nat=len(self.coor._value) charges=np.zeros(Nat,dtype='f8') dipoles=np.zeros((Nat,3),dtype='f8') for ii in range(self.grid[0]): for jj in range(self.grid[1]): for kk in range(self.grid[2]): rr=self._origin+ii*self._step[0,:]+jj*self._step[1,:]+kk*self._step[2,:] dist_min=30.0 index=0 for ll in range(len(self.coor._value)): dist=np.sqrt(np.dot(rr-self.coor._value[ll],rr-self.coor._value[ll])) if dist<dist_min: index=ll dist_min=np.copy(dist) charges[index]+=self.data[ii,jj,kk] dipoles[index,:]+=(rr-self.coor._value[index])*self.data[ii,jj,kk] dV=np.dot(self._step[0,:],np.cross(self._step[1,:],self._step[2,:])) print('Atomic dipole calculated by function calc_atomic_properties was chaged from -dipole to dipole. Make sure that you are using right value') return charges*dV,-dipoles*dV def _elpot_at_position(self,position): ''' Calculate electrostatic potential for electronic density assumed that it is composed of cubic boxes with homogenous charge distribition **THIS IS WERY CRUDE APPROXIMATION AND I HAVE SHOWN BY COMPARING CALCULATED POTENTIAL FROM ATOMIC ORBITALS WITH THIS ONE THAT IT DOESN'T PROVIDE (NOT EVEN CLOSE TO) REAL POTENTIAL** Parameters ---------- position : numpy.array of real (dimension 3) Coordinates in ATOMIC UNITS (Bohr) of point where we would like to calculate electrostatic potential Returns ---------- result : real Potential at `position` in ATOMIC UNITS ''' result=0.0 def aux_function(rr,stepx,stepy,stepz,t): res=scipy.special.erf(t*(stepx/2-rr[0]))+scipy.special.erf(t*(stepx/2+rr[0])) res=res * (scipy.special.erf(t*(stepy/2-rr[1]))+scipy.special.erf(t*(stepy/2+rr[1]))) res=res * (scipy.special.erf(t*(stepz/2-rr[2]))+scipy.special.erf(t*(stepz/2+rr[2]))) res=res/t**3 return res rr1=np.copy(position) for m in range(self.grid[0]): for n in range(self.grid[1]): for o in range(self.grid[2]): rr2=self._origin + m*self._step[0,:]+n*self._step[1,:]+o*self._step[2,:] dr=rr1-rr2 tmax=max([5/np.abs(np.abs(dr[0])-np.abs(self._step[0,0]/2)),5/np.abs(np.abs(dr[1])-np.abs(self._step[1,1]/2)),5/np.abs(np.abs(dr[2])-np.abs(self._step[2,2]/2))]) #if tmax<5e-1: # ESP_Grid[i,j,k]-=self.data[m,n,o]/np.sqrt(np.dot(dr,dr))*dV #else: tmax=max([200,tmax]) aux_function_partial = partial(aux_function,dr,self._step[0,0],self._step[1,1],self._step[2,2]) result-=self.data[m,n,o]*np.pi/4*scipy.integrate.quadrature(aux_function_partial,0,tmax,tol=1e-05,maxiter=100)[0] return result def _dens_to_ESP2(self): ''' This should create electrostatic potential grid file from electronic density assumed that it is composed of cubic boxes with homogenous charge distribition. **THIS IS WERY CRUDE APPROXIMATION AND I HAVE SHOWN BY COMPARING CALCULATED POTENTIAL FROM ATOMIC ORBITALS WITH THIS ONE THAT IT DOESN'T PROVIDE (NOT EVEN CLOSE TO) REAL POTENTIAL** ''' ESP=DensityGrid(self.origin,self.grid,self.step,None,Coor=self.coor.value,At_charge=self.at_charge) ''' Calculate volume element ''' vecX=np.copy(self._step[0,:]) vecY=np.copy(self._step[1,:]) vecZ=np.cross(vecX,vecY) dV=np.dot(vecZ,self._step[2,:]) ESP._origin=ESP._origin+self._step[0,:]/2.0+self._step[1,:]/2.0+self._step[2,:]/2.0 ESP_Grid=np.zeros((self.grid[0],self.grid[1],self.grid[2]),dtype='f8') def aux_function(rr,stepx,stepy,stepz,t): res=scipy.special.erf(t*(stepx/2-rr[0]))+scipy.special.erf(t*(stepx/2+rr[0])) res=res * (scipy.special.erf(t*(stepy/2-rr[1]))+scipy.special.erf(t*(stepy/2+rr[1]))) res=res * (scipy.special.erf(t*(stepz/2-rr[2]))+scipy.special.erf(t*(stepz/2+rr[2]))) res=res/t**3 return res for i in range(ESP.grid[0]): print(i,'/',ESP.grid[0]) for j in range(ESP.grid[1]): for k in range(ESP.grid[2]): rr1=ESP._origin + i*ESP._step[0,:]+j*ESP._step[1,:]+k*ESP._step[2,:] for m in range(self.grid[0]): for n in range(self.grid[1]): for o in range(self.grid[2]): rr2=self._origin + m*self._step[0,:]+n*self._step[1,:]+o*self._step[2,:] dr=rr1-rr2 tmax=max([5/np.abs(np.abs(dr[0])-np.abs(self._step[0,0]/2)),5/np.abs(np.abs(dr[1])-np.abs(self._step[1,1]/2)),5/np.abs(np.abs(dr[2])-np.abs(self._step[2,2]/2))]) if tmax<5e-1: ESP_Grid[i,j,k]-=self.data[m,n,o]/np.sqrt(np.dot(dr,dr))*dV else: tmax=max([200,tmax]) aux_function_partial = partial(aux_function,dr,self._step[0,0],self._step[1,1],self._step[2,2]) ESP_Grid[i,j,k]-=self.data[m,n,o]*np.sqrt(np.pi)/4*scipy.integrate.quadrature(aux_function_partial,0,tmax,tol=1e-05,maxiter=100)[0] ESP_Grid[i,j,k]-=np.pi/tmax**2*self.data[i,j,k] #ESP_Grid=ESP_Grid #for m in range(ESP.grid[0]): # for n in range(ESP.grid[1]): # for o in range(ESP.grid[2]): # for ii in range(len(self.coor)): # dr=ESP.origin + m*ESP.step[0,:]+n*ESP.step[1,:]+o*ESP.step[2,:]-self.coor[ii] # norm2=np.sqrt(np.dot(dr,dr)) # ESP_Grid[m,n,o]+=self.at_charge[ii]/norm2 ESP.data=np.copy(ESP_Grid) return ESP
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#!/usr/bin/env python # # ------------------------------------------------------------------------------------- # # Copyright (c) 2016, ytirahc, www.mobiledevtrek.com # All rights reserved. Copyright holder cannot be held liable for any damages. # # Distributed under the Apache License (ASL). # http://www.apache.org/licenses/ # ***** # Description: Python script to resize images by percentage and apply sepia tone effect # using OpenCV and NumPy (developed with & tested against Python 3.5, OpenCV 3.1 and # NumPy 1.10.4) # Resize # The jpg image files of the specified input directory are resized by the specified percentages # in the array resizePercentages and saved to the specified output directory. # Sepia # The jpg image files of the specified input directory have the sepia tone effect applied and saved # to the specified output directory. # # Usage: Running the script will both resize and apply the sepia tone effect to the jpg images in the # input directory, saving the results to the output directory # ***** import os import numpy as np import cv2 # ***** # SoftLight # # Description: Implements the soft light blending mode as per w3c # https://en.wikipedia.org/wiki/Blend_modes#Soft_Light # # Parameters: # inTopImg : Open OpenCV image (top) # inBottomImg : Open OpenCV image (bottom) # ***** def SoftLight(inTopImg,inBottomImg): # Normalize color values to between 0 and 1 topImgArray = np.asarray(inTopImg) / 255.0 bottomImgArray = np.asarray(inBottomImg) / 255.0 softLightImgArray = SoftLightF(topImgArray, bottomImgArray) # Convert colors back to between 0 to 255 softLightImgArray = softLightImgArray * 255.0 return softLightImgArray # ***** # SoftLightF # # Description: Implements f(bottom image, top image) portion of w3c soft light blending equation # # Parameters: # inTopImgArray : Top image as array # inBottomImgArray : Bottom image as array # ***** def SoftLightF(inTopImgArray,inBottomImgArray): softLightFArray = np.where(inTopImgArray <= 0.5,inBottomImgArray - ((1 - (2 * inTopImgArray)) * inBottomImgArray * (1 - inBottomImgArray)),inBottomImgArray + (2 * inTopImgArray - 1) * (SoftLightG(inBottomImgArray) - inBottomImgArray)) return softLightFArray # ***** # SoftLightG # # Description: Implements f(bottom image) portion of w3c soft light blending equation # # Parameters: # inBottomImgArray : Bottom image as array # ***** def SoftLightG(inBottomImgArray): softLightGArray = np.where(inBottomImgArray <= 0.25, ((16 * inBottomImgArray - 12) * inBottomImgArray + 4) * inBottomImgArray, np.sqrt(inBottomImgArray)) return softLightGArray # ***** # SepiaToneEffectAndSave # # Description: Applies sepia tone effect to input image and saves the result # # Parameters: # inImage : An OpenCV image # inSepiaImageFN : Output path and file name where the result is saved # ***** def SepiaToneEffectAndSave(inImage, inSepiaImageFN): # Desaturate (but needs to be RGB for later operations) imgGrey = cv2.cvtColor(inImage,cv2.COLOR_BGR2GRAY) imgGrey = cv2.cvtColor(imgGrey,cv2.COLOR_GRAY2RGB) # Need RGB for matrix math # Apply a slight blur imgSmooth = cv2.GaussianBlur(imgGrey,(5,5),0) # Blend the sepia tone color with the greyscale layer using soft light imgWidth, imgHeight, imgChannels = imgGrey.shape imgSepiaColor = np.zeros((imgWidth,imgHeight,3), np.uint8) imgSepiaColor[:,:] = (42,89,226) # BGR imgSepia = SoftLight(imgSepiaColor, imgSmooth) cv2.imwrite(inSepiaImageFN,imgSepia) # ***** # ResizeImageByPercentAndSave # # Description: Resizes image by specified percentage and saves the result # # Parameters: # inImage : An OpenCV image # inResizePercentage : Percentage by which to resize image as a non negative integer # inResizedImageFN : Output path and file name where the result is saved # ***** def ResizeImageByPercentAndSave(inImage, inResizePercentage, inResizedImageFN): resizeFraction = inResizePercentage / 100 imgResize = cv2.resize(inImage, (0,0), fx=resizeFraction, fy=resizeFraction) cv2.imwrite(inResizedImageFN,imgResize) batchInputImageDir = os.path.join("..","images","in") # Input directory where jpg files reside batchOutputImageDir = os.path.join("..","images","out") # Output directory where results are saves as jpg image files resizePercentages = [75, 50, 25] # Percentages to by which to resize input images # Iterate through all jpgs in the input directory for jpgFile in os.listdir(batchInputImageDir): if jpgFile.endswith(".jpg"): # Process jpg files only # Determine full path and filename imageName, imageExt = os.path.splitext(jpgFile) batchInImageFN = os.path.join(batchInputImageDir, jpgFile) print("Currently processing image: " + batchInImageFN) # Open the input image to process img = cv2.imread(batchInImageFN) # Resize image by given percentages for resizePercentage in resizePercentages: batchOutImageFN = os.path.join(batchOutputImageDir, imageName + "_" + str(resizePercentage) + ".jpg") ResizeImageByPercentAndSave(img, resizePercentage, batchOutImageFN) # Apply the sepia tone effect batchOutImageFN = os.path.join(batchOutputImageDir, imageName + "_sepia.jpg") SepiaToneEffectAndSave(img, batchOutImageFN) print("Finished processing all jpg images in input directory: " + batchInputImageDir) print("Output images files located in the directory: " + batchOutputImageDir)
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[STATEMENT] lemma has_distinguishing_Eq: "has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. (Eq (V v) (L l')) \<in> set G \<and> l \<noteq> l'" [PROOF STATE] proof (prove) goal (1 subgoal): 1. has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l' [PROOF STEP] proof (induct G) [PROOF STATE] proof (state) goal (2 subgoals): 1. has_distinguishing (Eq (V v) (L l)) [] \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set [] \<and> l \<noteq> l' 2. \<And>a G. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G)\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] case (Cons a G) [PROOF STATE] proof (state) this: has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l' has_distinguishing (Eq (V v) (L l)) (a # G) goal (2 subgoals): 1. has_distinguishing (Eq (V v) (L l)) [] \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set [] \<and> l \<noteq> l' 2. \<And>a G. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G)\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] then [PROOF STATE] proof (chain) picking this: has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l' has_distinguishing (Eq (V v) (L l)) (a # G) [PROOF STEP] show ?case [PROOF STATE] proof (prove) using this: has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l' has_distinguishing (Eq (V v) (L l)) (a # G) goal (1 subgoal): 1. \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] apply (cases a) [PROOF STATE] proof (prove) goal (5 subgoals): 1. \<And>x1. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Bc x1\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x21 x22. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 5. \<And>x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Nor x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] apply simp [PROOF STATE] proof (prove) goal (4 subgoals): 1. \<And>x21 x22. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Nor x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] apply (case_tac x21) [PROOF STATE] proof (prove) goal (8 subgoals): 1. \<And>x21 x22 x1. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = L x1\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x21 x22 x2. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x21 x22 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x21 x22 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 5. \<And>x21 x22 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 6. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 7. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 8. \<And>x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Nor x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] apply simp [PROOF STATE] proof (prove) goal (7 subgoals): 1. \<And>x21 x22 x2. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x21 x22 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x21 x22 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x21 x22 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 5. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 6. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 7. \<And>x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Nor x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] apply (case_tac x22) [PROOF STATE] proof (prove) goal (11 subgoals): 1. \<And>x21 x22 x2 x1. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = L x1\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x21 x22 x2 x2a. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = V x2a\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x21 x22 x2 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x21 x22 x2 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 5. \<And>x21 x22 x2 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 6. \<And>x21 x22 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 7. \<And>x21 x22 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 8. \<And>x21 x22 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 9. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 10. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' A total of 11 subgoals... [PROOF STEP] apply (metis has_distinguishing.simps(2) list.set_intros(1) list.set_intros(2)) [PROOF STATE] proof (prove) goal (10 subgoals): 1. \<And>x21 x22 x2 x2a. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = V x2a\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 2. \<And>x21 x22 x2 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 3. \<And>x21 x22 x2 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 4. \<And>x21 x22 x2 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = V x2; x22 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 5. \<And>x21 x22 x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Plus x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 6. \<And>x21 x22 x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Minus x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 7. \<And>x21 x22 x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Eq x21 x22; x21 = Times x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 8. \<And>x31 x32. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Gt x31 x32\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 9. \<And>x41 x42. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = In x41 x42\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' 10. \<And>x51 x52. \<lbrakk>has_distinguishing (Eq (V v) (L l)) G \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set G \<and> l \<noteq> l'; has_distinguishing (Eq (V v) (L l)) (a # G); a = Nor x51 x52\<rbrakk> \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' [PROOF STEP] by auto [PROOF STATE] proof (state) this: \<exists>l'. Eq (V v) (L l') \<in> set (a # G) \<and> l \<noteq> l' goal (1 subgoal): 1. has_distinguishing (Eq (V v) (L l)) [] \<Longrightarrow> \<exists>l'. Eq (V v) (L l') \<in> set [] \<and> l \<noteq> l' [PROOF STEP] qed auto
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""" Lucy richardson deconvolution based on code from Martin Weigert's gputools """ import os import numpy as np from gputools import OCLArray, OCLProgram, get_device from gputools import convolve, fft_convolve, fft, fft_plan from gputools import OCLElementwiseKernel from typing import Optional, Callable import warnings import gputools _multiply_inplace = OCLElementwiseKernel("float *a, float * b", "a[i] = a[i] * b[i]", "mult_inplace") _divide_inplace = OCLElementwiseKernel( "float *a, float * b", "b[i] = a[i]*b[i]/(b[i]*b[i]+0.001f)", "divide_inplace" ) _complex_multiply = OCLElementwiseKernel( "cfloat_t *a, cfloat_t * b,cfloat_t * res", "res[i] = cfloat_mul(a[i],b[i])", "mult" ) _complex_multiply_inplace = OCLElementwiseKernel( "cfloat_t *a, cfloat_t * b", "a[i] = cfloat_mul(a[i],b[i])", "mult_inplace" ) _complex_divide = OCLElementwiseKernel( "cfloat_t *a, cfloat_t * b,cfloat_t * res", "res[i] = cfloat_divide(b[i],a[i])", "div" ) _complex_divide_inplace = OCLElementwiseKernel( "cfloat_t *a, cfloat_t * b", "b[i] = cfloat_divide(a[i],b[i])", "divide_inplace" ) class Deconvolver_RL_gputools(object): """ fft deconvolver based on Martin Weigert's gputools fft-based RL implementation breaks it into two stages to avoid unnecessary processig and allocation """ def __init__(self, psf: np.ndarray, psf_is_fftshifted: bool = False, n_iter=10): """ setup deconvolution for a given shape """ self.shape = psf.shape if not psf_is_fftshifted: psf = np.fft.fftshift(psf) self.n_iter = n_iter # What happens here? Indices are being flipped ? Why. What if it is 3D? psfflip = psf[::-1, ::-1] self.psf_g = OCLArray.from_array(psf.astype(np.complex64)) self.psfflip_f_g = OCLArray.from_array(psfflip.astype(np.complex64)) self.plan = fft_plan(self.shape) # transform psf fft(self.psf_g, inplace=True) fft(self.psfflip_f_g, inplace=True) # get temp self.tmp_g = OCLArray.empty(psf.shape, np.complex64) def run(self, data: np.ndarray): if data.shape != self.shape: raise ValueError("data and h have to be same shape") # set up some gpu buffers data64 = data.astype(np.complex64) y_g = OCLArray.from_array(data64) u_g = OCLArray.from_array(data64) # hflipped_g = OCLArray.from_array(h.astype(np.complex64)) for i in range(self.n_iter): # logger.info("Iteration: {}".format(i)) fft_convolve(u_g, self.psf_g, plan=self.plan, res_g=self.tmp_g, kernel_is_fft=True) _complex_divide_inplace(y_g, self.tmp_g) fft_convolve(self.tmp_g, self.psfflip_f_g, plan=self.plan, inplace=True, kernel_is_fft=True) _complex_multiply_inplace(u_g, self.tmp_g) # can abs be calculated on the gpu ? return np.abs(u_g.get()) ## below are simple wrappers to make the interface compatible with the functions ## that were originally written for deconvolution with flowdec ## eventually all of those should be refactured into a classs def init_rl_deconvolver(**kwargs): """ dummy, nothing to initialiaze for the gputools deconv Note: maybe one can setup and keep the fft plan, this may require changes to gputools code. """ return None def get_deconv_function(psf: np.ndarray, deconvolver: object, n_iter: int) -> Callable: decon = Deconvolver_RL_gputools(psf=psf, n_iter=n_iter) return decon.run
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\section{Task Planning (Jim)} The task planner in this work is based on the framework introduced in \cite{HKG2009}. A reactive robot task specification is expressed in LTL formulas. Then the specification is automatically transformed to a correct-by-construction discrete controller. At last, the controller is continuously implemented to generate desired robot behaviors. Different from \cite{HKG2009}, in this work we aim to synthesize controllers for multiple robots executing a manipulation task. Therefore, there are three main challenges in this work for task planning, as described in the following sections. \subsection{Specification Language for Multi-robot} In \cite{ChenDSB12,Diaz-MercadoJBE15}, the author introduces an approach for specifying robot tasks in formal language and generating controllers for a team of robots. However, the type of robot tasks is limited to non-reactive, i.e. the environment is assume static and the robot behavior does not depend on the environment state. The framework in \cite{HKG2009} allows reactive robot task, such as "if the robot sense a soda can, bring the can to the kitchen". However, the task specification only issues commands for a single robot. In order to specify reactive tasks for a team of robots, we need to extend the specification language to able to express multi-robot tasks. \subsection{Tasks Allocation} The framework employed in this work will generate a centralized controller for a team of robots. We will then distribute tasks to each robots in a synchronized process. One method is to handle task allocation in the high-level specification. Therefore, task distribution for each robot will be encoded in the synthesized controller. The drawback for this method is that, whenever a new task allocation is required, possibly due to failing to find a feasible trajectory, the entire discrete controller needs to be resynthesized. Another method for task allocation is to treat all robots as one virtual robot with multiple redundant action abilities. The specification will only describe tasks for this virtual robot, and the task allocation will be determined when executing the synthesized controller. The disadvantage of this method is that the algorithm will spend more time during execution for computing the task allocation plan. Both method will be implemented in this work. We will compare the performance of both methods and choose the better one. \subsection{Feedback from Trajectory Planner} Once task are allocated to each robot, the task planner will invoke the trajectory planner to move each robot arm to desired location without collision. In the situation where the trajectory planner fails to find a feasible path for an arm, it will provide feedback to the task planner about such failure. The task planner will then incorporate the information into the task specification and come up with a new discrete plan. If no plan can be created, the task planner will notify the user the possible cause of failure, e.g. the robot arm cannot reach the desire position.
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import os import json import torch import lib.utils.data as torchdata import cv2 from torchvision import transforms from scipy.misc import imread, imresize import numpy as np # Round x to the nearest multiple of p and x' >= x def round2nearest_multiple(x, p): return ((x - 1) // p + 1) * p class TrainDataset(torchdata.Dataset): def __init__(self, odgt, opt, max_sample=-1, batch_per_gpu=1): self.root_dataset = opt.root_dataset self.imgSize = opt.imgSize self.imgMaxSize = opt.imgMaxSize self.random_flip = opt.random_flip # max down sampling rate of network to avoid rounding during conv or pooling self.padding_constant = opt.padding_constant # down sampling rate of segm labe self.segm_downsampling_rate = opt.segm_downsampling_rate self.batch_per_gpu = batch_per_gpu # classify images into two classes: 1. h > w and 2. h <= w self.batch_record_list = [[], []] # override dataset length when trainig with batch_per_gpu > 1 self.cur_idx = 0 # mean and std self.img_transform = transforms.Compose([ transforms.Normalize(mean=[102.9801, 115.9465, 122.7717], std=[1., 1., 1.]) ]) self.list_sample = [json.loads(x.rstrip()) for x in open(odgt, 'r')] self.if_shuffled = False if max_sample > 0: self.list_sample = self.list_sample[0:max_sample] self.num_sample = len(self.list_sample) assert self.num_sample > 0 print('# samples: {}'.format(self.num_sample)) def _get_sub_batch(self): while True: # get a sample record this_sample = self.list_sample[self.cur_idx] if this_sample['height'] > this_sample['width']: self.batch_record_list[0].append(this_sample) # h > w, go to 1st class else: self.batch_record_list[1].append(this_sample) # h <= w, go to 2nd class # update current sample pointer self.cur_idx += 1 if self.cur_idx >= self.num_sample: self.cur_idx = 0 np.random.shuffle(self.list_sample) if len(self.batch_record_list[0]) == self.batch_per_gpu: batch_records = self.batch_record_list[0] self.batch_record_list[0] = [] break elif len(self.batch_record_list[1]) == self.batch_per_gpu: batch_records = self.batch_record_list[1] self.batch_record_list[1] = [] break return batch_records def __getitem__(self, index): # NOTE: random shuffle for the first time. shuffle in __init__ is useless if not self.if_shuffled: np.random.shuffle(self.list_sample) self.if_shuffled = True # get sub-batch candidates batch_records = self._get_sub_batch() # resize all images' short edges to the chosen size if isinstance(self.imgSize, list): this_short_size = np.random.choice(self.imgSize) else: this_short_size = self.imgSize # calculate the BATCH's height and width # since we concat more than one samples, the batch's h and w shall be larger than EACH sample batch_resized_size = np.zeros((self.batch_per_gpu, 2), np.int32) for i in range(self.batch_per_gpu): img_height, img_width = batch_records[i]['height'], batch_records[i]['width'] this_scale = min(this_short_size / min(img_height, img_width), \ self.imgMaxSize / max(img_height, img_width)) img_resized_height, img_resized_width = img_height * this_scale, img_width * this_scale batch_resized_size[i, :] = img_resized_height, img_resized_width batch_resized_height = np.max(batch_resized_size[:, 0]) batch_resized_width = np.max(batch_resized_size[:, 1]) # Here we must pad both input image and segmentation map to size h' and w' so that p | h' and p | w' batch_resized_height = int(round2nearest_multiple(batch_resized_height, self.padding_constant)) batch_resized_width = int(round2nearest_multiple(batch_resized_width, self.padding_constant)) assert self.padding_constant >= self.segm_downsampling_rate,\ 'padding constant must be equal or large than segm downsamping rate' batch_images = torch.zeros(self.batch_per_gpu, 3, batch_resized_height, batch_resized_width) batch_segms = torch.zeros(self.batch_per_gpu, batch_resized_height // self.segm_downsampling_rate, \ batch_resized_width // self.segm_downsampling_rate).long() for i in range(self.batch_per_gpu): this_record = batch_records[i] # load image and label image_path = os.path.join(self.root_dataset, this_record['fpath_img']) segm_path = os.path.join(self.root_dataset, this_record['fpath_segm']) img = imread(image_path, mode='RGB') segm = imread(segm_path) assert(img.ndim == 3) assert(segm.ndim == 2) assert(img.shape[0] == segm.shape[0]) assert(img.shape[1] == segm.shape[1]) if self.random_flip == True: random_flip = np.random.choice([0, 1]) if random_flip == 1: img = cv2.flip(img, 1) segm = cv2.flip(segm, 1) # note that each sample within a mini batch has different scale param img = imresize(img, (batch_resized_size[i, 0], batch_resized_size[i, 1]), interp='bilinear') segm = imresize(segm, (batch_resized_size[i, 0], batch_resized_size[i, 1]), interp='nearest') # to avoid seg label misalignment segm_rounded_height = round2nearest_multiple(segm.shape[0], self.segm_downsampling_rate) segm_rounded_width = round2nearest_multiple(segm.shape[1], self.segm_downsampling_rate) segm_rounded = np.zeros((segm_rounded_height, segm_rounded_width), dtype='uint8') segm_rounded[:segm.shape[0], :segm.shape[1]] = segm segm = imresize(segm_rounded, (segm_rounded.shape[0] // self.segm_downsampling_rate, \ segm_rounded.shape[1] // self.segm_downsampling_rate), \ interp='nearest') # image to float img = img.astype(np.float32)[:, :, ::-1] # RGB to BGR!!! img = img.transpose((2, 0, 1)) img = self.img_transform(torch.from_numpy(img.copy())) batch_images[i][:, :img.shape[1], :img.shape[2]] = img batch_segms[i][:segm.shape[0], :segm.shape[1]] = torch.from_numpy(segm.astype(np.int)).long() batch_segms = batch_segms - 1 # label from -1 to 149 output = dict() output['img_data'] = batch_images output['seg_label'] = batch_segms return output def __len__(self): return int(1e6) # It's a fake length due to the trick that every loader maintains its own list #return self.num_sampleclass class ValDataset(torchdata.Dataset): def __init__(self, odgt, opt, max_sample=-1, start_idx=-1, end_idx=-1): self.root_dataset = opt.root_dataset self.imgSize = opt.imgSize self.imgMaxSize = opt.imgMaxSize # max down sampling rate of network to avoid rounding during conv or pooling self.padding_constant = opt.padding_constant # mean and std self.img_transform = transforms.Compose([ transforms.Normalize(mean=[102.9801, 115.9465, 122.7717], std=[1., 1., 1.]) ]) self.list_sample = [json.loads(x.rstrip()) for x in open(odgt, 'r')] if max_sample > 0: self.list_sample = self.list_sample[0:max_sample] if start_idx >= 0 and end_idx >= 0: # divide file list self.list_sample = self.list_sample[start_idx:end_idx] self.num_sample = len(self.list_sample) assert self.num_sample > 0 print('# samples: {}'.format(self.num_sample)) def __getitem__(self, index): this_record = self.list_sample[index] # load image and label image_path = os.path.join(self.root_dataset, this_record['fpath_img']) segm_path = os.path.join(self.root_dataset, this_record['fpath_segm']) img = imread(image_path, mode='RGB') img = img[:, :, ::-1] # BGR to RGB!!! segm = imread(segm_path) ori_height, ori_width, _ = img.shape img_resized_list = [] for this_short_size in self.imgSize: # calculate target height and width scale = min(this_short_size / float(min(ori_height, ori_width)), self.imgMaxSize / float(max(ori_height, ori_width))) target_height, target_width = int(ori_height * scale), int(ori_width * scale) # to avoid rounding in network target_height = round2nearest_multiple(target_height, self.padding_constant) target_width = round2nearest_multiple(target_width, self.padding_constant) # resize img_resized = cv2.resize(img.copy(), (target_width, target_height)) # image to float img_resized = img_resized.astype(np.float32) img_resized = img_resized.transpose((2, 0, 1)) img_resized = self.img_transform(torch.from_numpy(img_resized)) img_resized = torch.unsqueeze(img_resized, 0) img_resized_list.append(img_resized) segm = torch.from_numpy(segm.astype(np.int)).long() batch_segms = torch.unsqueeze(segm, 0) batch_segms = batch_segms - 1 # label from -1 to 149 output = dict() output['img_ori'] = img.copy() output['img_data'] = [x.contiguous() for x in img_resized_list] output['seg_label'] = batch_segms.contiguous() output['info'] = this_record['fpath_img'] return output def __len__(self): return self.num_sample class TestDataset(torchdata.Dataset): def __init__(self, odgt, opt, max_sample=-1): self.imgSize = opt.imgSize self.imgMaxSize = opt.imgMaxSize # max down sampling rate of network to avoid rounding during conv or pooling self.padding_constant = opt.padding_constant # down sampling rate of segm labe self.segm_downsampling_rate = opt.segm_downsampling_rate # mean and std self.img_transform = transforms.Compose([ transforms.Normalize(mean=[102.9801, 115.9465, 122.7717], std=[1., 1., 1.]) ]) if isinstance(odgt, list): self.list_sample = odgt elif isinstance(odgt, str): self.list_sample = [json.loads(x.rstrip()) for x in open(odgt, 'r')] if max_sample > 0: self.list_sample = self.list_sample[0:max_sample] self.num_sample = len(self.list_sample) assert self.num_sample > 0 print('# samples: {}'.format(self.num_sample)) def __getitem__(self, index): this_record = self.list_sample[index] # load image and label image_path = this_record['fpath_img'] img = imread(image_path, mode='RGB') img = img[:, :, ::-1] # BGR to RGB!!! ori_height, ori_width, _ = img.shape img_resized_list = [] for this_short_size in self.imgSize: # calculate target height and width scale = min(this_short_size / float(min(ori_height, ori_width)), self.imgMaxSize / float(max(ori_height, ori_width))) target_height, target_width = int(ori_height * scale), int(ori_width * scale) # to avoid rounding in network target_height = round2nearest_multiple(target_height, self.padding_constant) target_width = round2nearest_multiple(target_width, self.padding_constant) # resize img_resized = cv2.resize(img.copy(), (target_width, target_height)) # image to float img_resized = img_resized.astype(np.float32) img_resized = img_resized.transpose((2, 0, 1)) img_resized = self.img_transform(torch.from_numpy(img_resized)) img_resized = torch.unsqueeze(img_resized, 0) img_resized_list.append(img_resized) # segm = torch.from_numpy(segm.astype(np.int)).long() # batch_segms = torch.unsqueeze(segm, 0) # batch_segms = batch_segms - 1 # label from -1 to 149 output = dict() output['img_ori'] = img.copy() output['img_data'] = [x.contiguous() for x in img_resized_list] # output['seg_label'] = batch_segms.contiguous() output['info'] = this_record['fpath_img'] return output def __len__(self): return self.num_sample
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export Metadata, Metadata!, rename!, delete! import Base.== const metadata_folder_name = ".metadata" const max_lock_retries = 100 const metadata_lock = "metadata.lck" metadatadir(args...) = projectdir(metadata_folder_name, args...) mutable struct Metadata <: AbstractDict{String, Any} path::String mtime::Float64 data::Dict{String,Any} end function Metadata(path::String; overwrite=false) (isfile(path) || isdir(path)) || @warn "There is no file or folder at '$path'." assert_metadata_directory() rel_path = project_rel_path(path) # Check if there is already an entry for that file in the index lock("metadata") semaphore_enter("indexread") unlock("metadata") _path = find_file_in_index(path) semaphore_exit("indexread") if _path != nothing && !overwrite m = load_metadata(_path) if m.mtime != mtime(path) && isfile(path) @warn "The metadata entries might not be up to date. The file changed after adding the entries" end elseif _path != nothing && overwrite m = Metadata(rel_path, mtime(path), Dict{String,Any}()) save_metadata(m) else lock("metadata", wait_for_semaphore="indexread") try m = Metadata(rel_path, mtime(path), Dict{String,Any}()) save_metadata(m) finally unlock("metadata") end end return m end Base.length(m::Metadata) = length(m.data) Base.iterate(m::Metadata, args...; kwargs...) = iterate(m.data, args...; kwargs...) Metadata!(path::String) = Metadata(path, overwrite=true) project_rel_path(path) = relpath(abspath(path), projectdir()) get_stored_path(m::Metadata) = getfield(m,:path) standardize_path(path) = join(splitpath(project_rel_path(path)), "/") hash_path(path) = hash(standardize_path(path)) to_file_name(x) = string(x)*".bson" function load_metadata(path; ignore_exceptions=false) try entry = BSON.load(path) Metadata([entry[string(field)] for field in fieldnames(Metadata)]...) catch e if ignore_exceptions return nothing else rethrow(e) end end end function find_file_in_index(path) file = metadatadir(hash_path(path)|>to_file_name) isfile(file) && return file return nothing end function ==(a::Metadata,b::Metadata) for k ∈ fieldnames(Metadata) if getfield(a,k) != getfield(b,k) return false end end return true end Base.setproperty!(m::Metadata, sym::Symbol, val) = error("The field '$sym' is treated as immutable and cannot be updated directly.") Base.getproperty(m::Metadata, sym::Symbol) = getproperty(m, Val(sym)) getproperty(m::Metadata, ::Val{T}) where T = getfield(m, T) getproperty(m::Metadata, ::Val{:path}) = projectdir(getfield(m, :path)) Base.getindex(m::Metadata, field::String) = m.data[field] function Base.setindex!(m::Metadata, val, field::String) m.data[field] = val save_metadata(m) return val end Base.keys(m::Metadata) = keys(m.data) function Base.delete!(m::Metadata, field) delete!(m.data,field) save_metadata(m) return m end function rename!(m::Metadata, path) rel_path = project_rel_path(path) assert_metadata_directory() lock("metadata", wait_for_semaphore="indexread") try if find_file_in_index(rel_path) != nothing unlock("metadata") error("There is already metadata stored for '$path'.") end new_metadata_file = metadatadir(hash_path(path)|>to_file_name) old_metadata_file = metadatadir(hash_path(m.path)|>to_file_name) mv(old_metadata_file, new_metadata_file) setfield!(m, :path, rel_path) save_metadata(m) finally unlock("metadata") end end function Base.delete!(m::Metadata) assert_metadata_directory() lock("metadata", wait_for_semaphore="indexread") try file = metadatadir(to_file_name(hash_path(m.path))) if !isfile(file) unlock("metadata") error("There is no metadata storage for id $(m.path)") end rm(file) remove_index_entry(m.id, get_stored_path(m)) finally unlock("metadata") end end function save_metadata(m::Metadata) setfield!(m,:mtime,mtime(m.path)) BSON.bson(metadatadir(to_file_name(hash_path(m.path))),Dict(string(field)=>getfield(m,field) for field in fieldnames(Metadata))) end function assert_metadata_directory() metadata_directory = metadatadir() if !isdir(metadata_directory) @info "Metadata directory not found, creating a new one" try mkdir(metadata_directory) catch e if !isa(e, Base.IOError) rethrow(e) end end end end function DrWatson.tag!(m, args...; kwargs...) tag!(m.data, args...; kwargs...) save_metadata(m) end
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# # Copyright (c) 2020 The rlutils authors # # This source code is licensed under an MIT license found in the LICENSE file in the root directory of this project. # import unittest class TestVi(unittest.TestCase): ''' Test rlutils.algorithm.vi. ''' def _get_test_mdp(self): import numpy as np t_mat = np.array([ [ [0., 1., 0.], [0., 0., 1.], [0., 0., 1.] ], [ [1., 0., 0.], [1., 0., 0.], [0., 1., 0.] ] ], dtype=np.float32) r_vec = np.array([ [0., 0., 1.], [0., 0., 0.] ], dtype=np.float32) v_corr = np.array([10. * .9 * .9, 10. * .9, 10.], dtype=np.float32) q_corr = np.array([ [10. * .9 * .9, 10. * .9, 10.], [10. * .9 * .9 * .9, 10. * .9 * .9 * .9, 10. * .9 * .9] ], dtype=np.float32) return t_mat, r_vec, q_corr, v_corr def test_vi(self): import rlutils as rl import numpy as np t_mat, r_vec, q_corr, v_corr = self._get_test_mdp() q_hat, v_hat = rl.algorithm.vi(t_mat, r_vec, gamma=0.9, eps=1e-5) self.assertLess(np.max(np.abs(v_hat - v_corr)), 1e-4) self.assertLess(np.max(np.abs(q_hat - q_corr)), 1e-4) def test_vi_q_init(self): import rlutils as rl import numpy as np t_mat, r_vec, q_corr, v_corr = self._get_test_mdp() q_hat, v_hat = rl.algorithm.vi(t_mat, r_vec, gamma=0.9, eps=1e-5, q_init=q_corr, max_it=1) self.assertLess(np.max(np.abs(v_hat - v_corr)), 1e-4) self.assertLess(np.max(np.abs(q_hat - q_corr)), 1e-4) def test_vi_v_init(self): import rlutils as rl import numpy as np t_mat, r_vec, q_corr, v_corr = self._get_test_mdp() q_hat, v_hat = rl.algorithm.vi(t_mat, r_vec, gamma=0.9, eps=1e-5, v_init=v_corr, max_it=1) self.assertLess(np.max(np.abs(v_hat - v_corr)), 1e-4) self.assertLess(np.max(np.abs(q_hat - q_corr)), 1e-4) def test_vi_timeout(self): import rlutils as rl t_mat, r_vec, q_corr, v_corr = self._get_test_mdp() try: rl.algorithm.vi(t_mat, r_vec, gamma=0.9, eps=1e-5, max_it=2) self.fail() except rl.algorithm.VITimeoutException: pass if __name__ == '__main__': unittest.main()
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# Tests of this file not covered in other tests @testset "dual_model_variables.jl" begin @testset "push_to_dual_obj_aff_terms!" begin primal_model = soc1_test() dual_obj_affine_terms = Dict{VI,Float64}() list = MOI.get( primal_model, MOI.ListOfConstraintIndices{VVF,MOI.SecondOrderCone}(), ) ci = first(list) func = MOI.get(primal_model, MOI.ConstraintFunction(), ci) set = MOI.get(primal_model, MOI.ConstraintSet(), ci) Dualization.push_to_dual_obj_aff_terms!( primal_model, dual_obj_affine_terms, VI(1), func, set, 1, ) @test isempty(dual_obj_affine_terms) end @testset "set_dual_variable_name" begin primal_model = soc1_test() vi = VI(1) Dualization.set_dual_variable_name(primal_model, vi, 1, "con", "") @test MOI.get(primal_model, MOI.VariableName(), vi) == "con_1" Dualization.set_dual_variable_name(primal_model, vi, 2, "con", "") @test MOI.get(primal_model, MOI.VariableName(), vi) == "con_2" Dualization.set_dual_variable_name(primal_model, vi, 2, "con", "oi") @test MOI.get(primal_model, MOI.VariableName(), vi) == "oicon_2" end end
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\name{loadPrice} \alias{loadPrice} \title{Load price from github} \description{ Load stock(s) price from github } \usage{ loadPrice(...) } \arguments{ \item{...}{one or more ticker string(s)} } \examples{ ## load a ticker data loadPrice('MWG') ## load multiple tickers loadPrice('VN30', 'FPT', 'VCB') } \keyword{loadPrice}
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import pandas as pd import numpy as np import seaborn as sns import matplotlib.pyplot as plt import matplotlib as mpl import sys sys.path.append('./') from util import constants aspect = { 'size': 6.5, 'font_scale': 2.5, 'labels': False, 'ratio': 1.625, } models = ['ngram', 'lstm'] sns.set(style="white", palette="muted", color_codes=True) sns.set_context("notebook", font_scale=aspect['font_scale']) mpl.rc('font', family='serif', serif='Times New Roman') mpl.rc('figure', figsize=(aspect['size'] * aspect['ratio'], aspect['size'] * aspect['ratio'])) sns.set_style({'font.family': 'serif', 'font.serif': 'Times New Roman'}) def get_artificial_df(folder): ngram_file = '%s/artificial__ngram__full-results.csv' % folder lstm_file = '%s/artificial__lstm__full-results.csv' % folder df_artificial_ngram = pd.read_csv(ngram_file) df_artificial_lstm = pd.read_csv(lstm_file) df_artificial_ngram['Model'] = 'trigram' df_artificial_lstm['Model'] = 'LSTM' df_models = [] df_models += [df_artificial_ngram] if 'ngram' in models else [] df_models += [df_artificial_lstm] if 'lstm' in models else [] df = pd.concat(df_models, sort=False) df = df.sort_values(['Model', 'artificial'], ascending=[False, True]) df_art = df[df.artificial].copy() df_art['artificial'] = df_art['test_loss'] df_art = df_art[['Model', 'lang', 'artificial', 'fold']] df_nat = df[~df.artificial].copy() df_nat['natural'] = df_nat['test_loss'] df_nat = df_nat[['Model', 'lang', 'natural', 'fold']] df_final = df_art.set_index(['Model', 'lang', 'fold']) \ .join(df_nat.set_index(['Model', 'lang', 'fold'])) \ .reset_index() return df_final def get_artificial_df_avg(folder): df_final = get_artificial_df(folder) df_final = df_final.groupby(['Model', 'lang']).agg('mean').reset_index() return df_final df_final = get_artificial_df_avg(constants.rfolder_artificial_harmony) sns.scatterplot(x='natural', y='artificial', data=df_final, hue='Model', style='Model', s=500, markers=['P', 'o']) delta_y = df_final.artificial.max() - df_final.artificial.min() y = [df_final.artificial.min() + x * delta_y for x in range(0, 2)] min_y = df_final.artificial.min() min_x = df_final.natural.min() max_y = df_final.artificial.max() max_x = df_final.natural.max() min_range = min(min_y, min_x) - .1 max_range = max(max_y, max_x) + .1 plot_range = [min_range, max_range] plt.plot(plot_range, plot_range, 'C2--', linewidth=2, alpha=0.8) plt.legend(labelspacing=0.2, markerscale=4) plt.xlim(plot_range) plt.xticks(np.arange(2.75, 4.8, step=0.5)) plt.ylim(plot_range) plt.yticks(np.arange(2.75, 4.8, step=0.5)) plt.xlabel('Original Language') plt.ylabel('Artificial Language') plt.tight_layout() plt.savefig('plot/scatterplot_harmony.pdf', bbox_inches='tight') plt.show()
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# Script to run through the files and fit the zero-inflated negative binomial distrubution using Plots, Distributions, DelimitedFiles, Base.Printf include("Utils.jl") import Main.Utils gr() # Set some parameters spread = 0.95 folder = "Chains/" Files = readdir(folder) # Make a stats variable to be writtten to a file Stats = Array{Any,2}(undef,length(Files)+1,13) Stats[1,:] = ["Name" "p" "w" "r" "K" "r_min" "r_max" "p_min" "p_max" "w_min" "w_max" "K_min" "K_max"] for (ii,file) in enumerate(Files) # Load and plot the distribution data chain = readdlm(folder*file) # Extract parameters and plot r = Utils.find_MAP(chain,idx=1) p = Utils.find_MAP(chain,idx=2) w = Utils.find_MAP(chain,idx=3) K = Utils.find_MAP(chain,idx=4) int_r = Utils.credibleintervals(chain,idx=1, spread=spread) int_p = Utils.credibleintervals(chain,idx=2, spread=spread) int_w = Utils.credibleintervals(chain,idx=3, spread=spread) int_K = Utils.credibleintervals(chain,idx=4, spread=spread) # Plot and save plt = Utils.plot_chain(chain, [r,p,w,K], [int_r,int_p,int_w,int_K]) try Plots.pdf("MCMC/"*file) catch mkdir("MCMC") Plots.pdf("MCMC/"*file) end # Save data println(file) Stats[ii+1,:] = [file p w r K r-int_r[1] int_r[2]-r p-int_p[1] int_p[2]-p w-int_w[1] int_w[2]-w K-int_K[1] int_K[2]-K] end DelimitedFiles.writedlm("Statistics.txt", Stats)
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# coding=utf-8 # Copyright 2020 The Google AI Language Team Authors and The HuggingFace Inc. team. # Copyright (c) 2018, NVIDIA CORPORATION. All rights reserved. # Copyright 2020 Kalpesh Krishna. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. """Fine-tuning GPT2 for conditional generation tasks.""" from __future__ import absolute_import, division, print_function import glob import logging import os import random import re import shutil import subprocess import numpy as np import time import torch from torch.utils.data import DataLoader, RandomSampler, SequentialSampler from torch.utils.data.distributed import DistributedSampler from tqdm import tqdm, trange from collections import defaultdict from args import get_parser from data_utils import MAX_ROBERTA_LENGTH from fairseq.models.roberta import RobertaModel from fairseq.optim.adafactor import Adafactor from style_dataset import (InverseParaphraseDatasetText, ParaphraseDatasetText) from transformers import (WEIGHTS_NAME, AdamW, GPT2Config, GPT2LMHeadModel, GPT2Tokenizer, get_linear_schedule_with_warmup) from utils import GPT2ParentModule, init_gpt2_model try: from torch.utils.tensorboard import SummaryWriter except ImportError: from tensorboardX import SummaryWriter logger = logging.getLogger(__name__) MODEL_CLASSES = { 'gpt2': (GPT2Config, GPT2LMHeadModel, GPT2Tokenizer), } SPECIAL_TOKENS = { "additional_special_tokens": ["<dense-vectors>", "<tokens>", "<verb>", "<ARG0>", "<ARG1>", "<global-dense-vectors>"], "pad_token": "<pad>", "bos_token": "<bos>", "eos_token": "<eos>" } def load_and_cache_examples(args, tokenizer, evaluate=False): if not args.prefix_input_type.startswith("original"): dataset = InverseParaphraseDatasetText( tokenizer=tokenizer, args=args, evaluate=evaluate, split="dev" if evaluate else "train" ) else: dataset = ParaphraseDatasetText( tokenizer=tokenizer, args=args, evaluate=evaluate, split="dev" if evaluate else "train" ) return dataset def set_seed(args): random.seed(args.seed) np.random.seed(args.seed) torch.manual_seed(args.seed) if args.n_gpu > 0: torch.cuda.manual_seed_all(args.seed) def _rotate_checkpoints(args, checkpoint_prefix, use_mtime=False): if not args.save_total_limit: return if args.save_total_limit <= 0: return # Check if we should delete older checkpoint(s) glob_checkpoints = glob.glob(os.path.join(args.output_dir, '{}-*'.format(checkpoint_prefix))) if len(glob_checkpoints) <= args.save_total_limit: return ordering_and_checkpoint_path = [] for path in glob_checkpoints: if use_mtime: ordering_and_checkpoint_path.append((os.path.getmtime(path), path)) else: regex_match = re.match('.*{}-([0-9]+)'.format(checkpoint_prefix), path) if regex_match and regex_match.groups(): ordering_and_checkpoint_path.append((int(regex_match.groups()[0]), path)) checkpoints_sorted = sorted(ordering_and_checkpoint_path) checkpoints_sorted = [checkpoint[1] for checkpoint in checkpoints_sorted] number_of_checkpoints_to_delete = max(0, len(checkpoints_sorted) - args.save_total_limit) checkpoints_to_be_deleted = checkpoints_sorted[:number_of_checkpoints_to_delete] for checkpoint in checkpoints_to_be_deleted: logger.info("Deleting older checkpoint [{}] due to args.save_total_limit".format(checkpoint)) shutil.rmtree(checkpoint) def save_model(gpt2_model, output_dir, args, global_step, tokenizer=None): # Take care of distributed/parallel training model_to_save = gpt2_model.gpt2 model_to_save = model_to_save.module if hasattr(model_to_save, 'module') else model_to_save model_to_save.save_pretrained(output_dir) logger.info("Saving model checkpoint to %s", output_dir) torch.save(args, os.path.join(output_dir, 'training_args.bin')) with open(os.path.join(output_dir, "global_step.txt"), "w") as f: f.write(str(global_step) + "\n") if tokenizer: tokenizer.save_pretrained(output_dir) def train(args, gpt2_model, train_dataset, tokenizer): """ Train the model """ if args.local_rank in [-1, 0]: try: tb_writer = SummaryWriter(logdir="runs/summary_%s" % args.job_id) except: tb_writer = SummaryWriter(log_dir="runs/summary_%s" % args.job_id) args.train_batch_size = args.per_gpu_train_batch_size * max(1, args.n_gpu) train_sampler = RandomSampler(train_dataset) if args.local_rank == -1 else DistributedSampler(train_dataset) train_dataloader = DataLoader(train_dataset, sampler=train_sampler, batch_size=args.train_batch_size) if args.max_steps > 0: t_total = args.max_steps args.num_train_epochs = args.max_steps // (len(train_dataloader) // args.gradient_accumulation_steps) + 1 else: t_total = len(train_dataloader) // args.gradient_accumulation_steps * args.num_train_epochs # Update the model definition in case RoBERTa is training model = gpt2_model.gpt2 # Prepare optimizer and schedule (linear warmup and decay) # extra layer_norm.weight for com no_decay = ['bias', 'LayerNorm.weight', 'layer_norm.weight'] grouped_parameters = [ { 'params': [ p for n, p in model.named_parameters() if not any(nd in n for nd in no_decay) ], 'weight_decay': args.weight_decay }, { 'params': [ p for n, p in model.named_parameters() if any(nd in n for nd in no_decay) ], 'weight_decay': 0.0 } ] optimizer = AdamW(grouped_parameters, lr=float(args.learning_rate), eps=args.adam_epsilon) scheduler = get_linear_schedule_with_warmup(optimizer, num_warmup_steps=args.warmup_steps, num_training_steps=t_total) if args.fp16: try: from apex import amp except ImportError: raise ImportError("Please install apex from https://www.github.com/nvidia/apex to use fp16 training.") model, optimizer = amp.initialize(model, optimizer, opt_level=args.fp16_opt_level) # multi-gpu training (should be after apex fp16 initialization) if args.n_gpu > 1: model = torch.nn.DataParallel(model) # Distributed training (should be after apex fp16 initialization) if args.local_rank != -1: model = torch.nn.parallel.DistributedDataParallel(model, device_ids=[args.local_rank], output_device=args.local_rank, find_unused_parameters=True) # this is necessary to ensure multi-GPU training happens since the gpt2_model.gpt2 pointer has been set to the model without the DDP wrapper gpt2_model.gpt2 = model # Train! logger.info("***** Running training *****") logger.info(" Num examples = %d", len(train_dataset)) logger.info(" Num Epochs = %d", args.num_train_epochs) logger.info(" Instantaneous batch size per GPU = %d", args.per_gpu_train_batch_size) logger.info(" Total train batch size (w. parallel, distributed & accumulation) = %d", args.train_batch_size * args.gradient_accumulation_steps * (torch.distributed.get_world_size() if args.local_rank != -1 else 1)) logger.info(" Gradient Accumulation steps = %d", args.gradient_accumulation_steps) logger.info(" Total optimization steps = %d", t_total) global_step = 0 loss_metrics = { "lm": {"current": 0.0, "previous": 0.0} } model.zero_grad() train_iterator = trange(int(args.num_train_epochs), desc="Epoch", disable=args.local_rank not in [-1, 0]) set_seed(args) # Added here for reproducibility (even between python 2 and 3) for _ in train_iterator: epoch_iterator = tqdm(train_dataloader, desc="Iteration", disable=args.local_rank not in [-1, 0]) for step, batch in enumerate(epoch_iterator): loss = gpt2_model(batch) if args.n_gpu > 1: for k, v in loss.items(): loss[k] = v.mean() if args.gradient_accumulation_steps > 1: for k, v in loss.items(): loss[k] = v / args.gradient_accumulation_steps if args.fp16: with amp.scale_loss(loss["lm"], optimizer) as scaled_loss: scaled_loss.backward() else: loss["lm"].backward() # Update the metrics for Tensorboard logging for metric_type, metric_vals in loss_metrics.items(): metric_vals["current"] += loss[metric_type].item() if (step + 1) % args.gradient_accumulation_steps == 0: if args.fp16: torch.nn.utils.clip_grad_norm_(amp.master_params(optimizer), args.max_grad_norm) else: torch.nn.utils.clip_grad_norm_(model.parameters(), args.max_grad_norm) # Update the generator or the discriminator optimizer optimizer.step() scheduler.step() model.zero_grad() global_step += 1 if args.local_rank in [-1, 0] and args.logging_steps > 0 and global_step % args.logging_steps == 0: # Only evaluate when single GPU otherwise metrics may not average well if args.local_rank == -1 and args.evaluate_during_training: results = evaluate(args, gpt2_model, tokenizer) for key, value in results.items(): tb_writer.add_scalar('eval_{}'.format(key), value, global_step) tb_writer.add_scalar('learning_rate', scheduler.get_lr()[0], global_step) for metric_type, metric_vals in loss_metrics.items(): tb_writer.add_scalar( '%s_loss' % metric_type, (metric_vals["current"] - metric_vals["previous"]) / args.logging_steps, global_step ) metric_vals["previous"] = metric_vals["current"] if args.local_rank in [-1, 0] and args.save_steps > 0 and global_step % args.save_steps == 0: checkpoint_prefix = 'checkpoint' # Save model checkpoint output_dir = os.path.join(args.output_dir, '{}-{}'.format(checkpoint_prefix, global_step)) if not os.path.exists(output_dir): os.makedirs(output_dir) save_model(gpt2_model, output_dir, args, global_step, tokenizer=tokenizer) _rotate_checkpoints(args, checkpoint_prefix) if args.max_steps > 0 and global_step > args.max_steps: epoch_iterator.close() break if args.max_steps > 0 and global_step > args.max_steps: train_iterator.close() break if args.local_rank in [-1, 0]: tb_writer.close() return global_step, loss_metrics["lm"]["current"] / global_step def evaluate(args, gpt2_model, tokenizer, prefix=""): # Loop to handle MNLI double evaluation (matched, mis-matched) eval_output_dir = args.output_dir eval_dataset = load_and_cache_examples(args, tokenizer, evaluate=True) if not os.path.exists(eval_output_dir) and args.local_rank in [-1, 0]: os.makedirs(eval_output_dir) args.eval_batch_size = args.per_gpu_eval_batch_size * max(1, args.n_gpu) # Note that DistributedSampler samples randomly eval_sampler = SequentialSampler(eval_dataset) if args.local_rank == -1 else DistributedSampler(eval_dataset) eval_dataloader = DataLoader(eval_dataset, sampler=eval_sampler, batch_size=args.eval_batch_size) # multi-gpu evaluate if args.n_gpu > 1: gpt2_model = torch.nn.DataParallel(gpt2_model) # Eval! logger.info("***** Running evaluation {} *****".format(prefix)) logger.info(" Num examples = %d", len(eval_dataset)) logger.info(" Batch size = %d", args.eval_batch_size) eval_loss = 0.0 nb_eval_steps = 0 total_instances = 0 gpt2_model.eval() for batch in tqdm(eval_dataloader, desc="Evaluating"): curr_loss = gpt2_model.evaluate(batch) eval_loss += curr_loss total_instances += batch["suffix_style"].shape[0] nb_eval_steps += 1 eval_loss = eval_loss / nb_eval_steps perplexity = torch.exp(torch.tensor(eval_loss)) result = { "perplexity": perplexity } output_eval_file = os.path.join(eval_output_dir, prefix, "eval_results.txt") with open(output_eval_file, "w") as writer: logger.info("***** Eval results {} *****".format(prefix)) for key in sorted(result.keys()): logger.info(" %s = %s", key, str(result[key])) writer.write("%s = %s\n" % (key, str(result[key]))) return result def main(): parser = get_parser("finetuning") args = parser.parse_args() if (os.path.exists(args.output_dir) and os.listdir(args.output_dir) and args.do_train and not args.overwrite_output_dir): raise ValueError("Output directory ({}) already exists and is not empty. Use --overwrite_output_dir to overcome.".format(args.output_dir)) # Setup CUDA, GPU & distributed training if args.local_rank == -1 or args.no_cuda: device = torch.device("cuda" if torch.cuda.is_available() and not args.no_cuda else "cpu") args.n_gpu = torch.cuda.device_count() else: # Initializes the distributed backend which will take care of sychronizing nodes/GPUs torch.cuda.set_device(args.local_rank) device = torch.device("cuda", args.local_rank) torch.distributed.init_process_group(backend='nccl') args.n_gpu = 1 args.device = device # Setup logging logging.basicConfig(format='%(asctime)s - %(levelname)s - %(name)s - %(message)s', datefmt='%m/%d/%Y %H:%M:%S', level=logging.INFO if args.local_rank in [-1, 0] else logging.WARN) logger.warning("Process rank: %s, device: %s, n_gpu: %s, distributed training: %s, 16-bits training: %s", args.local_rank, device, args.n_gpu, bool(args.local_rank != -1), args.fp16) # Set seed set_seed(args) # Load pretrained model and tokenizer if args.local_rank not in [-1, 0]: # Barrier to make sure only the first process in distributed training download model & vocab torch.distributed.barrier() config_class, model_class, tokenizer_class = MODEL_CLASSES[args.model_type] config = config_class.from_pretrained(args.config_name if args.config_name else args.model_name_or_path, cache_dir=args.cache_dir if args.cache_dir else None) # Adding an extra embedding dimension for style/content vectors config.extra_embedding_dim = args.extra_embedding_dim tokenizer = tokenizer_class.from_pretrained(args.tokenizer_name if args.tokenizer_name else args.model_name_or_path, do_lower_case=args.do_lower_case, cache_dir=args.cache_dir if args.cache_dir else None) model = model_class.from_pretrained(args.model_name_or_path, from_tf=bool('.ckpt' in args.model_name_or_path), config=config, cache_dir=args.cache_dir if args.cache_dir else None) tokenizer.add_special_tokens(SPECIAL_TOKENS) model.resize_token_embeddings(len(tokenizer)) model.to(args.device) gpt2_model = GPT2ParentModule(args=args, gpt2=model) if args.local_rank == 0: torch.distributed.barrier() # End of barrier to make sure only the first process in distributed training download model & vocab logger.info("Training/evaluation parameters %s", args) # Training if args.do_train: if args.local_rank not in [-1, 0]: torch.distributed.barrier() # Barrier to make sure only the first process in distributed training process the dataset, and the others will use the cache train_dataset = load_and_cache_examples(args, tokenizer, evaluate=False) if args.local_rank == 0: torch.distributed.barrier() global_step, tr_loss = train(args, gpt2_model, train_dataset, tokenizer) logger.info(" global_step = %s, average loss = %s", global_step, tr_loss) if args.do_train and (args.local_rank == -1 or torch.distributed.get_rank() == 0): output_dir = os.path.join(args.output_dir, 'checkpoint-{}'.format(global_step)) if not os.path.exists(output_dir) and args.local_rank in [-1, 0]: os.makedirs(output_dir) save_model(gpt2_model, output_dir, args, global_step, tokenizer) gpt2_model, tokenizer = init_gpt2_model(checkpoint_dir=args.output_dir, args=args, model_class=model_class, tokenizer_class=tokenizer_class) # Evaluation if args.do_eval and args.local_rank in [-1, 0]: eval_done = False all_results = {} top_checkpoint = None patience = 0 while not eval_done: checkpoints = [] if not args.evaluate_specific: checkpoints = list(os.path.dirname(c) for c in sorted(glob.glob(args.output_dir + '/checkpoint-*/' + WEIGHTS_NAME, recursive=True))) logging.getLogger("transformers.modeling_utils").setLevel(logging.WARN) # Reduce logging # Sort checkpoints according to the step number if len(checkpoints) > 0: checkpoints.sort(key=lambda x: int(x.split("-")[-1])) else: checkpoints.append(args.evaluate_specific) checkpoints = [x for x in checkpoints if x not in all_results] # Count the number of while loop iterations no new checkpoints were found if len(checkpoints) == 0: patience += 1 else: patience = 0 logger.info("Evaluate the following checkpoints: %s", checkpoints) for checkpoint in checkpoints: prefix = checkpoint.split('/')[-1] if checkpoint.find('checkpoint') != -1 else "" gpt2_model, _ = init_gpt2_model(checkpoint_dir=checkpoint, args=args, model_class=model_class) result = evaluate(args, gpt2_model, tokenizer, prefix=prefix) all_results[checkpoint] = result["perplexity"] sorted_results = [(k, v) for k, v in all_results.items()] sorted_results.sort(key=lambda x: x[1].item()) if not args.evaluate_specific and args.do_delete_old and len(sorted_results) > args.save_total_limit: logger.info("Deleting worse checkpoints...") # delete all but the top save_total_limit checkpoints for res in sorted_results[args.save_total_limit:]: if os.path.exists(res[0]): logger.info("Deleting {}...".format(res[0])) shutil.rmtree(res[0]) # move top checkpoint to root directory if not args.evaluate_specific and len(sorted_results) > 0 and sorted_results[0][0] != top_checkpoint: command = "cp {}/* {}".format(sorted_results[0][0], args.output_dir) logger.info("executing {}...".format(command)) subprocess.check_output(command, shell=True) top_checkpoint = sorted_results[0][0] sorted_results_summary = "\n".join(["{} = {:.4f}".format(x[0], x[1]) for x in sorted_results]) logger.info("Top checkpoints:\n{}".format(sorted_results_summary)) if args.eval_frequency_min == 0 or args.evaluate_specific or patience > args.eval_patience: eval_done = True else: logger.info("Sleeping for {:d} minutes...zzzz...".format(args.eval_frequency_min)) time.sleep(args.eval_frequency_min * 60) return all_results if __name__ == "__main__": main()
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#!/usr/bin/env python3 import numpy as np from keras import backend as K def mean_gaussian_negative_log_likelihood(y_true, y_pred): nll = 0.5 * np.log(2 * np.pi) + 0.5 * K.square(y_pred - y_true) axis = tuple(range(1, len(K.int_shape(y_true)))) return K.mean(K.sum(nll, axis=axis), axis=-1)
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import numpy as np import os import pandas as pd from sklearn.model_selection import train_test_split from sklearn.feature_extraction import DictVectorizer from sklearn.linear_model import LogisticRegression from sklearn.metrics import classification_report, f1_score import scipy.stats import utils __author__ = "Christopher Potts" __version__ = "CS224u, Stanford, Spring 2021" def sentiment_reader(src_filename, include_subtrees=True, dedup=False): """ Iterator for our distribution of the SST-3 and other files in that format. Parameters ---------- src_filename : str Full path to the file to be read. include_subtrees : bool If True, then the subtrees are returned as separate examples. This affects only the train split. For dev and test, only the full examples are included. dedup : bool If True, only one copy of each (example, label) pair is included. This mainly affects the train set, though there is one repeated example in the dev set. Yields ------ pd.DataFrame with columns ['example_id', 'sentence', 'label'] """ df = pd.read_csv(src_filename) if not include_subtrees: df = df[df.is_subtree == 0] if dedup: df = df.groupby(['sentence', 'label']).apply(lambda x: x.iloc[0]) df = df.reset_index(drop=True) return df def train_reader(sst_home, include_subtrees=False, dedup=False): """ Convenience function for reading the SST-3 train file. """ src = os.path.join(sst_home, 'sst3-train.csv') return sentiment_reader( src, include_subtrees=include_subtrees, dedup=dedup) def dev_reader(sst_home, include_subtrees=False, dedup=False): """ Convenience function for reading the SST-3 dev file. """ src = os.path.join(sst_home, 'sst3-dev.csv') return sentiment_reader( src, include_subtrees=include_subtrees, dedup=dedup) def test_reader(sst_home, include_subtrees=False, dedup=False): """ Convenience function for reading the SST-3 test file, unlabeled. This function should be used only for the final stages of a project, to obtain a submission to be evaluated. If you need to do an evaluation yourself with the labeled dataset, use `sentiment_reader` pointing to the labeled version of this dataset. """ src = os.path.join(sst_home, 'sst3-test-unlabeled.csv') return sentiment_reader( src, include_subtrees=include_subtrees, dedup=dedup) def bakeoff_dev_reader(sst_home, include_subtrees=False, dedup=False): """ Convenience function for reading the bakeoff dev file. """ src = os.path.join(sst_home, 'cs224u-sentiment-dev.csv') return sentiment_reader( src, include_subtrees=include_subtrees, dedup=dedup) def bakeoff_test_reader(sst_home, include_subtrees=False, dedup=False): """ Convenience function for reading the bakeoff test file, unlabeled. """ src = os.path.join(sst_home, 'cs224u-sentiment-test-unlabeled.csv') return sentiment_reader( src, include_subtrees=include_subtrees, dedup=dedup) def build_dataset(dataframes, phi, vectorizer=None, vectorize=True): """ Core general function for building experimental datasets. Parameters ---------- dataframes : pd.DataFrame or list of pd.DataFrame The dataset or datasets to process, as read in by `sentiment_reader`. phi : feature function Any function that takes a string as input and returns a bool/int/float-valued dict as output. vectorizer : sklearn.feature_extraction.DictVectorizer If this is None, then a new `DictVectorizer` is created and used to turn the list of dicts created by `phi` into a feature matrix. This happens when we are training. If this is not None, then it's assumed to be a `DictVectorizer` and used to transform the list of dicts. This happens in assessment, when we take in new instances and need to featurize them as we did in training. vectorize : bool Whether to use a DictVectorizer. Set this to False for deep learning models that process their own input. Returns ------- dict A dict with keys 'X' (the feature matrix), 'y' (the list of labels), 'vectorizer' (the `DictVectorizer`), and 'raw_examples' (the `nltk.Tree` objects, for error analysis). """ if isinstance(dataframes, (list, tuple)): df = pd.concat(dataframes) else: df = dataframes raw_examples = list(df.sentence.values) feat_dicts = list(df.sentence.apply(phi).values) if 'label' in df.columns: labels = list(df.label.values) else: labels = None feat_matrix = None if vectorize: # In training, we want a new vectorizer: if vectorizer is None: vectorizer = DictVectorizer(sparse=False) feat_matrix = vectorizer.fit_transform(feat_dicts) # In assessment, we featurize using the existing vectorizer: else: feat_matrix = vectorizer.transform(feat_dicts) else: feat_matrix = feat_dicts return {'X': feat_matrix, 'y': labels, 'vectorizer': vectorizer, 'raw_examples': raw_examples} def experiment( train_dataframes, phi, train_func, assess_dataframes=None, train_size=0.7, score_func=utils.safe_macro_f1, vectorize=True, verbose=True, random_state=None): """ Generic experimental framework. Either assesses with a random train/test split of `train_reader` or with `assess_reader` if it is given. Parameters ---------- train_dataframes : pd.DataFrame or list of pd.DataFrame The dataset or datasets to process, as read in by `sentiment_reader`. phi : feature function Any function that takes an `nltk.Tree` instance as input and returns a bool/int/float-valued dict as output. train_func : model wrapper Any function that takes a feature matrix and a label list as its values and returns a fitted model with a `predict` function that operates on feature matrices. assess_dataframes : pd.DataFrame, list of pd.DataFrame or None If None, then the df from `train_dataframes` is split into a random train/test split, with the the train percentage determined by `train_size`. If not None, then this should be a dataset or datasets to process, as read in by `sentiment_reader`. Each such dataset will be read and used in a separate evaluation. train_size : float (default: 0.7) If `assess_reader` is None, then this is the percentage of `train_reader` devoted to training. If `assess_reader` is not None, then this value is ignored. score_metric : function name (default: `utils.safe_macro_f1`) This should be an `sklearn.metrics` scoring function. The default is weighted average F1 (macro-averaged F1). For comparison with the SST literature, `accuracy_score` might be used instead. For other metrics that can be used here, see http://scikit-learn.org/stable/modules/classes.html#module-sklearn.metrics vectorize : bool Whether to use a DictVectorizer. Set this to False for deep learning models that process their own input. verbose : bool (default: True) Whether to print out the model assessment to standard output. Set to False for statistical testing via repeated runs. random_state : int or None Optionally set the random seed for consistent sampling where random train/test splits are being created. Prints ------- To standard output, if `verbose=True` Model precision/recall/F1 report. Accuracy is micro-F1 and is reported because many SST papers report that figure, but macro precision/recall/F1 is better given the class imbalances and the fact that performance across the classes can be highly variable. Returns ------- dict with keys 'model': trained model 'phi': the function used for featurization 'train_dataset': a dataset as returned by `build_dataset` 'assess_datasets': list of datasets as returned by `build_dataset` 'predictions': list of lists of predictions on the assessment datasets 'metric': `score_func.__name__` 'score': the `score_func` score on each of the assessment datasets """ # Train dataset: train = build_dataset( train_dataframes, phi, vectorizer=None, vectorize=vectorize) # Manage the assessment set-up: X_train = train['X'] y_train = train['y'] raw_train = train['raw_examples'] assess_datasets = [] if assess_dataframes is None: X_train, X_assess, y_train, y_assess, raw_train, raw_assess = train_test_split( X_train, y_train, raw_train, train_size=train_size, test_size=None, random_state=random_state) assess_datasets.append({ 'X': X_assess, 'y': y_assess, 'vectorizer': train['vectorizer'], 'raw_examples': raw_assess}) else: if not isinstance(assess_dataframes, (tuple, list)): assess_dataframes = [assess_dataframes] for assess_df in assess_dataframes: # Assessment dataset using the training vectorizer: assess = build_dataset( assess_df, phi, vectorizer=train['vectorizer'], vectorize=vectorize) assess_datasets.append(assess) # Train: mod = train_func(X_train, y_train) # Predictions if we have labels: predictions = [] scores = [] for dataset_num, assess in enumerate(assess_datasets, start=1): preds = mod.predict(assess['X']) if assess['y'] is None: predictions.append(None) scores.append(None) else: if verbose: if len(assess_datasets) > 1: print("Assessment dataset {}".format(dataset_num)) print(classification_report(assess['y'], preds, digits=3)) predictions.append(preds) scores.append(score_func(assess['y'], preds)) true_scores = [s for s in scores if s is not None] if len(true_scores) > 1 and verbose: mean_score = np.mean(true_scores) print("Mean of macro-F1 scores: {0:.03f}".format(mean_score)) # Return the overall scores and other experimental info: return { 'model': mod, 'phi': phi, 'train_dataset': train, 'assess_datasets': assess_datasets, 'predictions': predictions, 'metric': score_func.__name__, 'scores': scores} def compare_models( dataframes, phi1, train_func1, phi2=None, train_func2=None, vectorize1=True, vectorize2=True, stats_test=scipy.stats.wilcoxon, trials=10, train_size=0.7, score_func=utils.safe_macro_f1): """ Wrapper for comparing models. The parameters are like those of `experiment`, with the same defaults, except Parameters ---------- dataframes : pd.DataFrame or list of pd.DataFrame The dataset or datasets to process, as read in by `sentiment_reader`. phi1, phi2 Just like `phi` for `experiment`. `phi1` defaults to `unigrams_phi`. If `phi2` is None, then it is set equal to `phi1`. train_func1, train_func2 Just like `train_func` for `experiment`. If `train_func2` is None, then it is set equal to `train_func`. vectorize1, vectorize1 : bool Whether to vectorize the respective inputs. Use `False` for deep learning models that featurize their own input. stats_test : scipy.stats function Defaults to `scipy.stats.wilcoxon`, a non-parametric version of the paired t-test. trials : int (default: 10) Number of runs on random train/test splits of `reader`, with `train_size` controlling the amount of training data. train_size : float Percentage of data to use for training. Prints ------ To standard output A report of the assessment. Returns ------- (np.array, np.array, float) The first two are the scores from each model (length `trials`), and the third is the p-value returned by `stats_test`. """ if phi2 == None: phi2 = phi1 if train_func2 == None: train_func2 = train_func1 experiments1 = [experiment(dataframes, phi=phi1, train_func=train_func1, score_func=score_func, vectorize=vectorize1, verbose=False) for _ in range(trials)] experiments2 = [experiment(dataframes, phi=phi2, train_func=train_func2, score_func=score_func, vectorize=vectorize2, verbose=False) for _ in range(trials)] scores1 = np.array([d['scores'][0] for d in experiments1]) scores2 = np.array([d['scores'][0] for d in experiments2]) # stats_test returns (test_statistic, p-value). We keep just the p-value: pval = stats_test(scores1, scores2)[1] # Report: print('Model 1 mean: {0:.03f}'.format(scores1.mean())) print('Model 2 mean: {0:.03f}'.format(scores2.mean())) print('p = {0:.03f}'.format(pval if pval >= 0.001 else 'p < 0.001')) # Return the scores for later analysis, and the p value: return scores1, scores2, pval def build_rnn_dataset(dataframes, tokenizer=lambda s: s.split()): """ Given an SST reader, return the dataset as (X, y) training pairs. Parameters ---------- dataframes : pd.DataFrame or list of pd.DataFrame The dataset or datasets to process, as read in by `sentiment_reader`. tokenizer : function from str to list of str Defaults to a whitespace tokenizer. Returns ------- X, y Where X is a list of list of str, and y is the output label list. """ if isinstance(dataframes, (list, tuple)): df = pd.concat(dataframes) else: df = dataframes X = list(df.sentence.apply(tokenizer)) y = list(df.label.values) return X, y
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# -*- coding: utf-8 -*- # copyright: sktime developers, BSD-3-Clause License (see LICENSE file) __author__ = ["Markus Löning"] import numpy as np import pandas as pd import pytest from pytest import raises from sktime.forecasting.base import ForecastingHorizon from sktime.forecasting.base._fh import DELEGATED_METHODS from sktime.forecasting.model_selection import temporal_train_test_split from sktime.forecasting.tests._config import INDEX_TYPE_LOOKUP from sktime.forecasting.tests._config import SUPPORTED_INDEX_FH_COMBINATIONS from sktime.forecasting.tests._config import TEST_FHS from sktime.utils._testing import make_forecasting_problem from sktime.utils._testing.forecasting import _make_fh from sktime.utils.validation.forecasting import SUPPORTED_INDEX_TYPES def _assert_index_equal(a, b): """Helper function to compare forecasting horizons""" assert isinstance(a, pd.Index) assert isinstance(b, pd.Index) assert a.equals(b) @pytest.mark.parametrize( "index_type, fh_type, is_relative", SUPPORTED_INDEX_FH_COMBINATIONS ) @pytest.mark.parametrize("steps", TEST_FHS) def test_fh(index_type, fh_type, is_relative, steps): # generate data y = make_forecasting_problem(index_type=index_type) assert isinstance(y.index, INDEX_TYPE_LOOKUP.get(index_type)) # split data y_train, y_test = temporal_train_test_split(y, test_size=10) # choose cutoff point cutoff = y_train.index[-1] # generate fh fh = _make_fh(cutoff, steps, fh_type, is_relative) assert isinstance(fh.to_pandas(), INDEX_TYPE_LOOKUP.get(fh_type)) # get expected outputs if isinstance(steps, int): steps = np.array([steps]) fh_relative = pd.Int64Index(steps).sort_values() fh_absolute = y.index[np.where(y.index == cutoff)[0] + steps].sort_values() fh_indexer = fh_relative - 1 fh_oos = fh.to_pandas()[fh_relative > 0] is_oos = len(fh_oos) == len(fh) fh_ins = fh.to_pandas()[fh_relative <= 0] is_ins = len(fh_ins) == len(fh) # check outputs # check relative representation _assert_index_equal(fh_absolute, fh.to_absolute(cutoff).to_pandas()) assert not fh.to_absolute(cutoff).is_relative # check relative representation _assert_index_equal(fh_relative, fh.to_relative(cutoff).to_pandas()) assert fh.to_relative(cutoff).is_relative # check index-like representation _assert_index_equal(fh_indexer, fh.to_indexer(cutoff)) # check in-sample representation # we only compare the numpy array here because the expected solution is # formatted in a slightly different way than the generated solution np.testing.assert_array_equal( fh_ins.to_numpy(), fh.to_in_sample(cutoff).to_pandas() ) assert fh.to_in_sample(cutoff).is_relative == is_relative assert fh.is_in_sample(cutoff) == is_ins # check out-of-sample representation np.testing.assert_array_equal( fh_oos.to_numpy(), fh.to_out_of_sample(cutoff).to_pandas() ) assert fh.to_out_of_sample(cutoff).is_relative == is_relative assert fh.is_out_of_sample(cutoff) == is_oos def test_fh_method_delegation(): fh = ForecastingHorizon(1) for method in DELEGATED_METHODS: assert hasattr(fh, method) BAD_INPUT_ARGS = ( (1, 2), # tuple "some_string", # string 0.1, # float -0.1, # negative float np.array([0.1, 2]), # float in array None, ) @pytest.mark.parametrize("arg", BAD_INPUT_ARGS) def test_check_fh_values_bad_input_types(arg): with raises(TypeError): ForecastingHorizon(arg) DUPLICATE_INPUT_ARGS = ( np.array([1, 2, 2]), [3, 3, 1], ) @pytest.mark.parametrize("arg", DUPLICATE_INPUT_ARGS) def test_check_fh_values_duplicate_input_values(arg): with raises(ValueError): ForecastingHorizon(arg) GOOD_INPUT_ARGS = ( pd.Int64Index([1, 2, 3]), pd.period_range("2000-01-01", periods=3, freq="D"), pd.date_range("2000-01-01", periods=3, freq="M"), np.array([1, 2, 3]), [1, 2, 3], 1, ) @pytest.mark.parametrize("arg", GOOD_INPUT_ARGS) def test_check_fh_values_input_conversion_to_pandas_index(arg): output = ForecastingHorizon(arg, is_relative=False).to_pandas() assert type(output) in SUPPORTED_INDEX_TYPES
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# Copyright (c) 2019-2020, NVIDIA CORPORATION. All rights reserved. # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # http://www.apache.org/licenses/LICENSE-2.0 # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import json import math import os import pytest import random import numpy as np import torch from PIL import Image from kaolin.io import render from kaolin.render.camera import generate_perspective_projection from kaolin.utils.testing import FLOAT_TYPES ROOT_DIR = os.path.dirname(os.path.abspath(__file__)) SAMPLE_DIR = os.path.join(ROOT_DIR, os.pardir, os.pardir, os.pardir, 'samples', 'synthetic') class TestImportView: @pytest.fixture(autouse=True) def expected_rgb(self): path = os.path.join(SAMPLE_DIR, '0_rgb.png') return torch.from_numpy( np.array(Image.open(path)) )[:, :, :3].float() / 255. @pytest.fixture(autouse=True) def expected_depth_linear(self): path = os.path.join(SAMPLE_DIR, '0_depth_linear.npy') return torch.from_numpy(np.load(path)) @pytest.fixture(autouse=True) def expected_semantic(self): path = os.path.join(SAMPLE_DIR, '0_semantic.npy') return torch.from_numpy(np.load(path)) @pytest.fixture(autouse=True) def expected_instance(self): path = os.path.join(SAMPLE_DIR, '0_instance.npy') return torch.from_numpy(np.load(path)) @pytest.fixture(autouse=True) def expected_normals(self): path = os.path.join(SAMPLE_DIR, '0_normals.png') return torch.from_numpy( np.array(Image.open(path)) )[:, :, :3].float() / 255. @pytest.fixture(autouse=True) def expected_json(self): path = os.path.join(SAMPLE_DIR, '0_metadata.json') with open(path, 'r') as f: fjson = json.load(f) return fjson @pytest.fixture(autouse=True) def expected_metadata(self, expected_json): asset_transforms = torch.FloatTensor(expected_json['asset_transforms'][0][1]) cam_transform = torch.FloatTensor(expected_json['camera_properties']['tf_mat']) aspect_ratio = (expected_json['camera_properties']['resolution']['width'] / expected_json['camera_properties']['resolution']['height']) focal_length = expected_json['camera_properties']['focal_length'] horizontal_aperture = expected_json['camera_properties']['horizontal_aperture'] fov = 2 * math.atan(horizontal_aperture / (2 * focal_length)) return { 'cam_transform': cam_transform[:, :3], 'asset_transforms': asset_transforms, 'cam_proj': generate_perspective_projection(fov, aspect_ratio), 'clipping_range': expected_json['camera_properties']['clipping_range'] } @pytest.fixture(autouse=True) def expected_bbox_2d_tight(self, expected_json): return expected_json['bbox_2d_tight'] @pytest.fixture(autouse=True) def expected_bbox_2d_loose(self, expected_json): return expected_json['bbox_2d_loose'] @pytest.mark.parametrize('with_rgb', [True, False]) @pytest.mark.parametrize('with_depth_linear', [True, False]) @pytest.mark.parametrize('with_semantic', [True, False]) @pytest.mark.parametrize('with_instance', [True, False]) @pytest.mark.parametrize('with_normals', [True, False]) @pytest.mark.parametrize('with_bbox_2d_tight', [True, False]) @pytest.mark.parametrize('with_bbox_2d_loose', [True, False]) def test_import_synthetic_view(self, expected_rgb, expected_depth_linear, expected_semantic, expected_instance, expected_normals, expected_bbox_2d_tight, expected_bbox_2d_loose, expected_metadata, with_rgb, with_depth_linear, with_semantic, with_instance, with_normals, with_bbox_2d_tight, with_bbox_2d_loose): output = render.import_synthetic_view(SAMPLE_DIR, 0, rgb=with_rgb, depth_linear=with_depth_linear, semantic=with_semantic, instance=with_instance, normals=with_normals, bbox_2d_tight=with_bbox_2d_tight, bbox_2d_loose=with_bbox_2d_loose) if with_rgb: assert torch.equal(output['rgb'], expected_rgb) else: assert 'rgb' not in output if with_depth_linear: assert torch.equal(output['depth_linear'], expected_depth_linear) else: assert 'depth_linear' not in output if with_semantic: assert torch.equal(output['semantic'], expected_semantic) else: assert 'semantic' not in output if with_instance: assert torch.equal(output['instance'], expected_instance) else: assert 'instance' not in output if with_normals: assert torch.equal(output['normals'], expected_normals) else: assert 'normals' not in output if with_bbox_2d_tight: assert output['bbox_2d_tight'] == expected_bbox_2d_tight else: assert 'bbox_2d_tight' not in output if with_bbox_2d_loose: assert output['bbox_2d_loose'] == expected_bbox_2d_loose else: assert 'bbox_2d_loose' not in output assert expected_metadata.keys() == output['metadata'].keys() assert torch.equal(expected_metadata['cam_transform'], output['metadata']['cam_transform']) assert torch.equal(expected_metadata['cam_proj'], output['metadata']['cam_proj']) assert (expected_metadata['clipping_range'] == output['metadata']['clipping_range'])
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program testburn use bl_types use network use eos_module implicit none real(kind=dp_t) :: dens, temp, pres, entr real(kind=dp_t), dimension(nspec) :: Xin integer :: ic12, io16, img24 logical :: do_diag call network_init() call eos_init(gamma_in=5.0d0/3.0d0) do_diag = .false. ic12 = network_species_index("carbon-12") io16 = network_species_index("oxygen-16") img24 = network_species_index("magnesium-24") dens = 1.e4_dp_t temp = 1.e8_dp_t Xin(ic12) = 0.5_dp_t Xin(io16) = 0.5_dp_t Xin(img24) = 0.0_dp_t den_eos = dens temp_eos = temp xn_eos(:) = Xin(:) ! test eos_input_rt call eos(eos_input_rt, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, 'input: eos_input_rt' print *, 'dens: ', dens, ' temp: ', temp print *, 'X: ', Xin print *, 'pres: ', p_eos, ' ener: ', e_eos print *, 'h: ', h_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) print *, ' ' print *, 'setting pres = ', p_eos pres = p_eos print *, 'setting entr = ', s_eos entr = s_eos ! test eos_input_rh temp_eos = 0.d0 call eos(eos_input_rh, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, ' ' print *, 'input: eos_input_rh' print *, 'dens: ', dens, ' temp: ', temp print *, 'X: ', Xin print *, 'pres: ', p_eos, ' ener: ', e_eos print *, 'entropy: ', s_eos print *, 'h: ', h_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) ! test eos_input_tp den_eos = 0.d0 call eos(eos_input_tp, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, ' ' print *, 'input: eos_input_tp' print *, 'dens: ', dens, ' temp: ', temp print *, 'X: ', Xin print *, 'pres: ', p_eos, ' ener: ', e_eos print *, 'h: ', h_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) ! test eos_input_rp temp_eos = 0.d0 call eos(eos_input_rp, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, ' ' print *, 'input: eos_input_rp' print *, 'dens: ', dens, ' temp: ', temp print *, 'X: ', Xin print *, 'pres: ', p_eos, ' ener: ', e_eos print *, 'h: ', h_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) ! test eos_input_re temp_eos = 0.d0 call eos(eos_input_re, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, ' ' print *, 'input: eos_input_re' print *, 'dens: ', dens, ' temp: ', temp print *, 'X: ', Xin print *, 'pres: ', p_eos, ' ener: ', e_eos print *, 'h: ', h_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) ! test eos_input_ps p_eos = pres s_eos = entr call eos(eos_input_ps, den_eos, temp_eos, & xn_eos, & p_eos, h_eos, e_eos, & cv_eos, cp_eos, xne_eos, eta_eos, pele_eos, & dpdt_eos, dpdr_eos, dedt_eos, dedr_eos, & dpdX_eos, dhdX_eos, & gam1_eos, cs_eos, s_eos, & dsdt_eos, dsdr_eos, & do_diag) print *, ' ' print *, 'input: eos_input_ps' print *, 'pres: ', pres, 'entr: ', entr print *, 'dens: ', den_eos, ' temp: ', temp_eos print *, 'X: ', Xin print *, 'pres_eos: ', p_eos, 'entr_eos: ', s_eos print *, 'h: ', h_eos, ' ener: ', e_eos print *, 'c_v: ', cv_eos, ' c_p : ', cp_eos print *, 'dpdT: ', dpdt_eos, ' dpdr: ', dpdr_eos print *, 'dedT: ', dedt_eos, ' dedr: ', dedr_eos print *, 'dpdX: ', dpdX_eos(:) print *, 'dhdX: ', dhdX_eos(:) end program testburn
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import os import numpy as np import pickle import tensorflow as tf from Configuration import FLAGS from Data_Process import Data_Process from Caption_Model import Caption_Model # from Activity_Model import Activity_Model def train_models(): data_process = Data_Process(FLAGS) # 1. Data process for lstm_caption print 'Getting trianing data for Caption_Model ...' image_path_list, image_cnn_list, image_caption_index_list = data_process.get_data_for_caption('training') # 2. Train lstm_caption model print 'Trianing Caption_Model ...' caption_model = Caption_Model(FLAGS) caption_model.train_model(image_path_list, image_cnn_list, image_caption_index_list) # 3. Data process for lstm_activity print 'Generating Captions for Activity_Model to train ...' act_train_image_path, act_train_image_cnn, act_train_image_label = data_process.get_data_for_activity('training') predicted_caption = caption_model.test_model(act_train_image_path, act_train_image_cnn) def main(_): train_models() if __name__ == '__main__': tf.app.run()
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import numpy as np import scipy.interpolate ############ P5 Tridiag solver class TriDiag: def __init__(self, a, d, b, n=None): if n is None: n = len(d) self.n = n self.a = np.asarray(a) self.b = np.asarray(b) self.d = np.asarray(d) def mult(self, x): '''Multiplies tridiagonal matrix by some vector of length n ''' x = np.asarray(x) return (self.d * x) + \ np.concatenate([self.a * x[1:],[0]]) + \ np.concatenate([[0], self.b * x[:-1]]) def solve(self, y, verbose=True): '''Finds solution to equation Ax=y for x verbose: print arrays after solving All changes to internal arrays will be reset after solving ''' y = np.asarray(y) # Create checkpoint, so that internal arrays can be manipulated checkPoint = (self.a, self.b, self.d) if verbose: print("Matrix before solve:") for label, array in [('a',self.a), ('d',self.d), ('b',self.b)]: print('{} array:'.format(label), array) print() # Forward solve for i in range(self.n): y[i] = y[i] / self.d[i] if i < self.n-1: self.a[i] = self.a[i] / self.d[i] self.d[i+1] = self.d[i+1] - self.b[i] * self.a[i] y[i+1] = y[i+1] - self.b[i] * y[i] # Backward solve k = self.n-1 for j in range(k): i = k-j-1 y[i] = y[i] - self.a[i] * y[i+1] if verbose: print("Matrix after solve:") for label, array in [('a',self.a), ('d',self.d), ('b',self.b)]: print('{} array:'.format(label), array) print() # Restore the checkpoint self.a, self.b, self.d = checkPoint return y ############ EC1 Spline solver def derivSolve(x, y, derivl, derivr): '''Solve for point derivatives at internal mesh points: 1) some set of points 2) function evaluations at those points 3) derivatives at left and right endpoints ''' x = np.asarray(x) y = np.asarray(y) hs = x[1:] - x[:-1] # Above diagonal a = np.concatenate( [ [0], -2/hs[1:], ], axis=0 ) # True diagonal d = np.concatenate( [ [1], -4*(1/hs[1:] + 1/hs[:-1]), [1], ], axis=0 ) # Below diagonal b = np.concatenate( [ -2/hs[:-1], [0] ] ) # y_i solution = y[1:-1] * ( 1/hs[1:]**2 - 1/hs[:-1]**2) # y_i-1 solution += y[:-2] * (1/hs[:-1]**2) # y_i+1 solution += y[2:] * (-1/hs[1:]**2) solution *= 6 # Assemble y, for Ax=y solution = np.concatenate( [ [derivl], solution, [derivr], ], axis=0 ) derivs = TriDiag(a,d,b).solve(solution, verbose=False) return derivs def cubic_spline(x, y, derivl, derivr): '''Creates cubic hermite spline with x,y and left and right derivatives Mostly just wrapper for derivSolve ''' derivs = derivSolve(x, y, derivl, derivr) return scipy.interpolate.CubicHermiteSpline( x, y, derivs ) def periodic_cubic_spline(x, y): if not np.isclose( [y[0]], [y[-1]]): raise RuntimeError( 'Function not periodic on [{0},{1}], endpoints don\'t match ({2}, {3})'.format( x[0],x[-1], y[0],y[-1] ) ) x = np.asarray(x) y = np.asarray(y) hs = x[1:] - x[:-1] # solve for zero deriv at endpoint, meets function evals at all interior points derivs_base = derivSolve(x, y, 0, 0) # solve for derivative adjustment at endpoints derivs_adjust = derivSolve(x, 0*y, 1, 1) # re-usable dydx array, used for both dydx_0 and dydx_1 dydxcoeff = np.array([ -2/hs[-1], -4*(1/hs[0] + 1/hs[-1]), -2/hs[0] ]) # Coefficients for y[...] at endpoint ycoeffs = np.array([ -6/hs[-1]**2, -6*(1/hs[0]**2 - 1/hs[-1]**2), 6*(1/hs[0]**2) ]) # This is the last [[g_i``]] formula, applied at endpoints # used to solve for alpha in writeup alpha = ycoeffs @ [y[-2], y[0], y[1]] alpha += dydxcoeff @ [derivs_base[-2], derivs_base[0], derivs_base[1]] alpha /= -1* dydxcoeff @ [derivs_adjust[-2], derivs_adjust[0], derivs_adjust[1]] # The final derivatives used in periodic spline derivs = derivs_base + alpha * derivs_adjust # Spline-ify our results return scipy.interpolate.CubicHermiteSpline( x, y, derivs )
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