| import math |
| from itertools import product |
|
|
| import numpy as np |
| from numpy.testing import assert_allclose, assert_equal, assert_ |
| from pytest import raises as assert_raises |
|
|
| from scipy.sparse import csr_matrix, csc_matrix, lil_matrix |
|
|
| from scipy.optimize._numdiff import ( |
| _adjust_scheme_to_bounds, approx_derivative, check_derivative, |
| group_columns, _eps_for_method, _compute_absolute_step) |
|
|
|
|
| def test_group_columns(): |
| structure = [ |
| [1, 1, 0, 0, 0, 0], |
| [1, 1, 1, 0, 0, 0], |
| [0, 1, 1, 1, 0, 0], |
| [0, 0, 1, 1, 1, 0], |
| [0, 0, 0, 1, 1, 1], |
| [0, 0, 0, 0, 1, 1], |
| [0, 0, 0, 0, 0, 0] |
| ] |
| for transform in [np.asarray, csr_matrix, csc_matrix, lil_matrix]: |
| A = transform(structure) |
| order = np.arange(6) |
| groups_true = np.array([0, 1, 2, 0, 1, 2]) |
| groups = group_columns(A, order) |
| assert_equal(groups, groups_true) |
|
|
| order = [1, 2, 4, 3, 5, 0] |
| groups_true = np.array([2, 0, 1, 2, 0, 1]) |
| groups = group_columns(A, order) |
| assert_equal(groups, groups_true) |
|
|
| |
| groups_1 = group_columns(A) |
| groups_2 = group_columns(A) |
| assert_equal(groups_1, groups_2) |
|
|
|
|
| def test_correct_fp_eps(): |
| |
| EPS = np.finfo(np.float64).eps |
| relative_step = {"2-point": EPS**0.5, |
| "3-point": EPS**(1/3), |
| "cs": EPS**0.5} |
| for method in ['2-point', '3-point', 'cs']: |
| assert_allclose( |
| _eps_for_method(np.float64, np.float64, method), |
| relative_step[method]) |
| assert_allclose( |
| _eps_for_method(np.complex128, np.complex128, method), |
| relative_step[method] |
| ) |
|
|
| |
| EPS = np.finfo(np.float32).eps |
| relative_step = {"2-point": EPS**0.5, |
| "3-point": EPS**(1/3), |
| "cs": EPS**0.5} |
|
|
| for method in ['2-point', '3-point', 'cs']: |
| assert_allclose( |
| _eps_for_method(np.float64, np.float32, method), |
| relative_step[method] |
| ) |
| assert_allclose( |
| _eps_for_method(np.float32, np.float64, method), |
| relative_step[method] |
| ) |
| assert_allclose( |
| _eps_for_method(np.float32, np.float32, method), |
| relative_step[method] |
| ) |
|
|
|
|
| class TestAdjustSchemeToBounds: |
| def test_no_bounds(self): |
| x0 = np.zeros(3) |
| h = np.full(3, 1e-2) |
| inf_lower = np.empty_like(x0) |
| inf_upper = np.empty_like(x0) |
| inf_lower.fill(-np.inf) |
| inf_upper.fill(np.inf) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 1, '1-sided', inf_lower, inf_upper) |
| assert_allclose(h_adjusted, h) |
| assert_(np.all(one_sided)) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 2, '1-sided', inf_lower, inf_upper) |
| assert_allclose(h_adjusted, h) |
| assert_(np.all(one_sided)) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 1, '2-sided', inf_lower, inf_upper) |
| assert_allclose(h_adjusted, h) |
| assert_(np.all(~one_sided)) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 2, '2-sided', inf_lower, inf_upper) |
| assert_allclose(h_adjusted, h) |
| assert_(np.all(~one_sided)) |
|
|
| def test_with_bound(self): |
| x0 = np.array([0.0, 0.85, -0.85]) |
| lb = -np.ones(3) |
| ub = np.ones(3) |
| h = np.array([1, 1, -1]) * 1e-1 |
|
|
| h_adjusted, _ = _adjust_scheme_to_bounds(x0, h, 1, '1-sided', lb, ub) |
| assert_allclose(h_adjusted, h) |
|
|
| h_adjusted, _ = _adjust_scheme_to_bounds(x0, h, 2, '1-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([1, -1, 1]) * 1e-1) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 1, '2-sided', lb, ub) |
| assert_allclose(h_adjusted, np.abs(h)) |
| assert_(np.all(~one_sided)) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 2, '2-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([1, -1, 1]) * 1e-1) |
| assert_equal(one_sided, np.array([False, True, True])) |
|
|
| def test_tight_bounds(self): |
| lb = np.array([-0.03, -0.03]) |
| ub = np.array([0.05, 0.05]) |
| x0 = np.array([0.0, 0.03]) |
| h = np.array([-0.1, -0.1]) |
|
|
| h_adjusted, _ = _adjust_scheme_to_bounds(x0, h, 1, '1-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([0.05, -0.06])) |
|
|
| h_adjusted, _ = _adjust_scheme_to_bounds(x0, h, 2, '1-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([0.025, -0.03])) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 1, '2-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([0.03, -0.03])) |
| assert_equal(one_sided, np.array([False, True])) |
|
|
| h_adjusted, one_sided = _adjust_scheme_to_bounds( |
| x0, h, 2, '2-sided', lb, ub) |
| assert_allclose(h_adjusted, np.array([0.015, -0.015])) |
| assert_equal(one_sided, np.array([False, True])) |
|
|
|
|
| class TestApproxDerivativesDense: |
| def fun_scalar_scalar(self, x): |
| return np.sinh(x) |
|
|
| def jac_scalar_scalar(self, x): |
| return np.cosh(x) |
|
|
| def fun_scalar_vector(self, x): |
| return np.array([x[0]**2, np.tan(x[0]), np.exp(x[0])]) |
|
|
| def jac_scalar_vector(self, x): |
| return np.array( |
| [2 * x[0], np.cos(x[0]) ** -2, np.exp(x[0])]).reshape(-1, 1) |
|
|
| def fun_vector_scalar(self, x): |
| return np.sin(x[0] * x[1]) * np.log(x[0]) |
|
|
| def wrong_dimensions_fun(self, x): |
| return np.array([x**2, np.tan(x), np.exp(x)]) |
|
|
| def jac_vector_scalar(self, x): |
| return np.array([ |
| x[1] * np.cos(x[0] * x[1]) * np.log(x[0]) + |
| np.sin(x[0] * x[1]) / x[0], |
| x[0] * np.cos(x[0] * x[1]) * np.log(x[0]) |
| ]) |
|
|
| def fun_vector_vector(self, x): |
| return np.array([ |
| x[0] * np.sin(x[1]), |
| x[1] * np.cos(x[0]), |
| x[0] ** 3 * x[1] ** -0.5 |
| ]) |
|
|
| def jac_vector_vector(self, x): |
| return np.array([ |
| [np.sin(x[1]), x[0] * np.cos(x[1])], |
| [-x[1] * np.sin(x[0]), np.cos(x[0])], |
| [3 * x[0] ** 2 * x[1] ** -0.5, -0.5 * x[0] ** 3 * x[1] ** -1.5] |
| ]) |
|
|
| def fun_parametrized(self, x, c0, c1=1.0): |
| return np.array([np.exp(c0 * x[0]), np.exp(c1 * x[1])]) |
|
|
| def jac_parametrized(self, x, c0, c1=0.1): |
| return np.array([ |
| [c0 * np.exp(c0 * x[0]), 0], |
| [0, c1 * np.exp(c1 * x[1])] |
| ]) |
|
|
| def fun_with_nan(self, x): |
| return x if np.abs(x) <= 1e-8 else np.nan |
|
|
| def jac_with_nan(self, x): |
| return 1.0 if np.abs(x) <= 1e-8 else np.nan |
|
|
| def fun_zero_jacobian(self, x): |
| return np.array([x[0] * x[1], np.cos(x[0] * x[1])]) |
|
|
| def jac_zero_jacobian(self, x): |
| return np.array([ |
| [x[1], x[0]], |
| [-x[1] * np.sin(x[0] * x[1]), -x[0] * np.sin(x[0] * x[1])] |
| ]) |
|
|
| def jac_non_numpy(self, x): |
| |
| |
| xp = np.asarray(x).item() |
| return math.exp(xp) |
|
|
| def test_scalar_scalar(self): |
| x0 = 1.0 |
| jac_diff_2 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='2-point') |
| jac_diff_3 = approx_derivative(self.fun_scalar_scalar, x0) |
| jac_diff_4 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='cs') |
| jac_true = self.jac_scalar_scalar(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_scalar_scalar_abs_step(self): |
| |
| x0 = 1.0 |
| jac_diff_2 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='2-point', abs_step=1.49e-8) |
| jac_diff_3 = approx_derivative(self.fun_scalar_scalar, x0, |
| abs_step=1.49e-8) |
| jac_diff_4 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='cs', abs_step=1.49e-8) |
| jac_true = self.jac_scalar_scalar(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_scalar_vector(self): |
| x0 = 0.5 |
| jac_diff_2 = approx_derivative(self.fun_scalar_vector, x0, |
| method='2-point') |
| jac_diff_3 = approx_derivative(self.fun_scalar_vector, x0) |
| jac_diff_4 = approx_derivative(self.fun_scalar_vector, x0, |
| method='cs') |
| jac_true = self.jac_scalar_vector(np.atleast_1d(x0)) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_vector_scalar(self): |
| x0 = np.array([100.0, -0.5]) |
| jac_diff_2 = approx_derivative(self.fun_vector_scalar, x0, |
| method='2-point') |
| jac_diff_3 = approx_derivative(self.fun_vector_scalar, x0) |
| jac_diff_4 = approx_derivative(self.fun_vector_scalar, x0, |
| method='cs') |
| jac_true = self.jac_vector_scalar(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-7) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_vector_scalar_abs_step(self): |
| |
| x0 = np.array([100.0, -0.5]) |
| jac_diff_2 = approx_derivative(self.fun_vector_scalar, x0, |
| method='2-point', abs_step=1.49e-8) |
| jac_diff_3 = approx_derivative(self.fun_vector_scalar, x0, |
| abs_step=1.49e-8, rel_step=np.inf) |
| jac_diff_4 = approx_derivative(self.fun_vector_scalar, x0, |
| method='cs', abs_step=1.49e-8) |
| jac_true = self.jac_vector_scalar(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=3e-9) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_vector_vector(self): |
| x0 = np.array([-100.0, 0.2]) |
| jac_diff_2 = approx_derivative(self.fun_vector_vector, x0, |
| method='2-point') |
| jac_diff_3 = approx_derivative(self.fun_vector_vector, x0) |
| jac_diff_4 = approx_derivative(self.fun_vector_vector, x0, |
| method='cs') |
| jac_true = self.jac_vector_vector(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-5) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_4, jac_true, rtol=1e-12) |
|
|
| def test_wrong_dimensions(self): |
| x0 = 1.0 |
| assert_raises(RuntimeError, approx_derivative, |
| self.wrong_dimensions_fun, x0) |
| f0 = self.wrong_dimensions_fun(np.atleast_1d(x0)) |
| assert_raises(ValueError, approx_derivative, |
| self.wrong_dimensions_fun, x0, f0=f0) |
|
|
| def test_custom_rel_step(self): |
| x0 = np.array([-0.1, 0.1]) |
| jac_diff_2 = approx_derivative(self.fun_vector_vector, x0, |
| method='2-point', rel_step=1e-4) |
| jac_diff_3 = approx_derivative(self.fun_vector_vector, x0, |
| rel_step=1e-4) |
| jac_true = self.jac_vector_vector(x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-2) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-4) |
|
|
| def test_options(self): |
| x0 = np.array([1.0, 1.0]) |
| c0 = -1.0 |
| c1 = 1.0 |
| lb = 0.0 |
| ub = 2.0 |
| f0 = self.fun_parametrized(x0, c0, c1=c1) |
| rel_step = np.array([-1e-6, 1e-7]) |
| jac_true = self.jac_parametrized(x0, c0, c1) |
| jac_diff_2 = approx_derivative( |
| self.fun_parametrized, x0, method='2-point', rel_step=rel_step, |
| f0=f0, args=(c0,), kwargs=dict(c1=c1), bounds=(lb, ub)) |
| jac_diff_3 = approx_derivative( |
| self.fun_parametrized, x0, rel_step=rel_step, |
| f0=f0, args=(c0,), kwargs=dict(c1=c1), bounds=(lb, ub)) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
|
|
| def test_with_bounds_2_point(self): |
| lb = -np.ones(2) |
| ub = np.ones(2) |
|
|
| x0 = np.array([-2.0, 0.2]) |
| assert_raises(ValueError, approx_derivative, |
| self.fun_vector_vector, x0, bounds=(lb, ub)) |
|
|
| x0 = np.array([-1.0, 1.0]) |
| jac_diff = approx_derivative(self.fun_vector_vector, x0, |
| method='2-point', bounds=(lb, ub)) |
| jac_true = self.jac_vector_vector(x0) |
| assert_allclose(jac_diff, jac_true, rtol=1e-6) |
|
|
| def test_with_bounds_3_point(self): |
| lb = np.array([1.0, 1.0]) |
| ub = np.array([2.0, 2.0]) |
|
|
| x0 = np.array([1.0, 2.0]) |
| jac_true = self.jac_vector_vector(x0) |
|
|
| jac_diff = approx_derivative(self.fun_vector_vector, x0) |
| assert_allclose(jac_diff, jac_true, rtol=1e-9) |
|
|
| jac_diff = approx_derivative(self.fun_vector_vector, x0, |
| bounds=(lb, np.inf)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-9) |
|
|
| jac_diff = approx_derivative(self.fun_vector_vector, x0, |
| bounds=(-np.inf, ub)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-9) |
|
|
| jac_diff = approx_derivative(self.fun_vector_vector, x0, |
| bounds=(lb, ub)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-9) |
|
|
| def test_tight_bounds(self): |
| x0 = np.array([10.0, 10.0]) |
| lb = x0 - 3e-9 |
| ub = x0 + 2e-9 |
| jac_true = self.jac_vector_vector(x0) |
| jac_diff = approx_derivative( |
| self.fun_vector_vector, x0, method='2-point', bounds=(lb, ub)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-6) |
| jac_diff = approx_derivative( |
| self.fun_vector_vector, x0, method='2-point', |
| rel_step=1e-6, bounds=(lb, ub)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-6) |
|
|
| jac_diff = approx_derivative( |
| self.fun_vector_vector, x0, bounds=(lb, ub)) |
| assert_allclose(jac_diff, jac_true, rtol=1e-6) |
| jac_diff = approx_derivative( |
| self.fun_vector_vector, x0, rel_step=1e-6, bounds=(lb, ub)) |
| assert_allclose(jac_true, jac_diff, rtol=1e-6) |
|
|
| def test_bound_switches(self): |
| lb = -1e-8 |
| ub = 1e-8 |
| x0 = 0.0 |
| jac_true = self.jac_with_nan(x0) |
| jac_diff_2 = approx_derivative( |
| self.fun_with_nan, x0, method='2-point', rel_step=1e-6, |
| bounds=(lb, ub)) |
| jac_diff_3 = approx_derivative( |
| self.fun_with_nan, x0, rel_step=1e-6, bounds=(lb, ub)) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
|
|
| x0 = 1e-8 |
| jac_true = self.jac_with_nan(x0) |
| jac_diff_2 = approx_derivative( |
| self.fun_with_nan, x0, method='2-point', rel_step=1e-6, |
| bounds=(lb, ub)) |
| jac_diff_3 = approx_derivative( |
| self.fun_with_nan, x0, rel_step=1e-6, bounds=(lb, ub)) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-9) |
|
|
| def test_non_numpy(self): |
| x0 = 1.0 |
| jac_true = self.jac_non_numpy(x0) |
| jac_diff_2 = approx_derivative(self.jac_non_numpy, x0, |
| method='2-point') |
| jac_diff_3 = approx_derivative(self.jac_non_numpy, x0) |
| assert_allclose(jac_diff_2, jac_true, rtol=1e-6) |
| assert_allclose(jac_diff_3, jac_true, rtol=1e-8) |
|
|
| |
| assert_raises(TypeError, approx_derivative, self.jac_non_numpy, x0, |
| **dict(method='cs')) |
|
|
| def test_fp(self): |
| |
| |
| np.random.seed(1) |
|
|
| def func(p, x): |
| return p[0] + p[1] * x |
|
|
| def err(p, x, y): |
| return func(p, x) - y |
|
|
| x = np.linspace(0, 1, 100, dtype=np.float64) |
| y = np.random.random(100).astype(np.float64) |
| p0 = np.array([-1.0, -1.0]) |
|
|
| jac_fp64 = approx_derivative(err, p0, method='2-point', args=(x, y)) |
|
|
| |
| jac_fp = approx_derivative(err, p0.astype(np.float32), |
| method='2-point', args=(x, y)) |
| assert err(p0, x, y).dtype == np.float64 |
| assert_allclose(jac_fp, jac_fp64, atol=1e-3) |
|
|
| |
| def err_fp32(p): |
| assert p.dtype == np.float32 |
| return err(p, x, y).astype(np.float32) |
|
|
| jac_fp = approx_derivative(err_fp32, p0.astype(np.float32), |
| method='2-point') |
| assert_allclose(jac_fp, jac_fp64, atol=1e-3) |
|
|
| |
| def f(x): |
| return np.sin(x) |
| def g(x): |
| return np.cos(x) |
| def hess(x): |
| return -np.sin(x) |
|
|
| def calc_atol(h, x0, f, hess, EPS): |
| |
| t0 = h / 2 * max(np.abs(hess(x0)), np.abs(hess(x0 + h))) |
| |
| |
| |
| t1 = EPS / h * max(np.abs(f(x0)), np.abs(f(x0 + h))) |
| return t0 + t1 |
|
|
| for dtype in [np.float16, np.float32, np.float64]: |
| EPS = np.finfo(dtype).eps |
| x0 = np.array(1.0).astype(dtype) |
| h = _compute_absolute_step(None, x0, f(x0), '2-point') |
| atol = calc_atol(h, x0, f, hess, EPS) |
| err = approx_derivative(f, x0, method='2-point', |
| abs_step=h) - g(x0) |
| assert abs(err) < atol |
|
|
| def test_check_derivative(self): |
| x0 = np.array([-10.0, 10]) |
| accuracy = check_derivative(self.fun_vector_vector, |
| self.jac_vector_vector, x0) |
| assert_(accuracy < 1e-9) |
| accuracy = check_derivative(self.fun_vector_vector, |
| self.jac_vector_vector, x0) |
| assert_(accuracy < 1e-6) |
|
|
| x0 = np.array([0.0, 0.0]) |
| accuracy = check_derivative(self.fun_zero_jacobian, |
| self.jac_zero_jacobian, x0) |
| assert_(accuracy == 0) |
| accuracy = check_derivative(self.fun_zero_jacobian, |
| self.jac_zero_jacobian, x0) |
| assert_(accuracy == 0) |
|
|
|
|
| class TestApproxDerivativeSparse: |
| |
| def setup_method(self): |
| np.random.seed(0) |
| self.n = 50 |
| self.lb = -0.1 * (1 + np.arange(self.n)) |
| self.ub = 0.1 * (1 + np.arange(self.n)) |
| self.x0 = np.empty(self.n) |
| self.x0[::2] = (1 - 1e-7) * self.lb[::2] |
| self.x0[1::2] = (1 - 1e-7) * self.ub[1::2] |
|
|
| self.J_true = self.jac(self.x0) |
|
|
| def fun(self, x): |
| e = x[1:]**3 - x[:-1]**2 |
| return np.hstack((0, 3 * e)) + np.hstack((2 * e, 0)) |
|
|
| def jac(self, x): |
| n = x.size |
| J = np.zeros((n, n)) |
| J[0, 0] = -4 * x[0] |
| J[0, 1] = 6 * x[1]**2 |
| for i in range(1, n - 1): |
| J[i, i - 1] = -6 * x[i-1] |
| J[i, i] = 9 * x[i]**2 - 4 * x[i] |
| J[i, i + 1] = 6 * x[i+1]**2 |
| J[-1, -1] = 9 * x[-1]**2 |
| J[-1, -2] = -6 * x[-2] |
|
|
| return J |
|
|
| def structure(self, n): |
| A = np.zeros((n, n), dtype=int) |
| A[0, 0] = 1 |
| A[0, 1] = 1 |
| for i in range(1, n - 1): |
| A[i, i - 1: i + 2] = 1 |
| A[-1, -1] = 1 |
| A[-1, -2] = 1 |
|
|
| return A |
|
|
| def test_all(self): |
| A = self.structure(self.n) |
| order = np.arange(self.n) |
| groups_1 = group_columns(A, order) |
| np.random.shuffle(order) |
| groups_2 = group_columns(A, order) |
|
|
| for method, groups, l, u in product( |
| ['2-point', '3-point', 'cs'], [groups_1, groups_2], |
| [-np.inf, self.lb], [np.inf, self.ub]): |
| J = approx_derivative(self.fun, self.x0, method=method, |
| bounds=(l, u), sparsity=(A, groups)) |
| assert_(isinstance(J, csr_matrix)) |
| assert_allclose(J.toarray(), self.J_true, rtol=1e-6) |
|
|
| rel_step = np.full_like(self.x0, 1e-8) |
| rel_step[::2] *= -1 |
| J = approx_derivative(self.fun, self.x0, method=method, |
| rel_step=rel_step, sparsity=(A, groups)) |
| assert_allclose(J.toarray(), self.J_true, rtol=1e-5) |
|
|
| def test_no_precomputed_groups(self): |
| A = self.structure(self.n) |
| J = approx_derivative(self.fun, self.x0, sparsity=A) |
| assert_allclose(J.toarray(), self.J_true, rtol=1e-6) |
|
|
| def test_equivalence(self): |
| structure = np.ones((self.n, self.n), dtype=int) |
| groups = np.arange(self.n) |
| for method in ['2-point', '3-point', 'cs']: |
| J_dense = approx_derivative(self.fun, self.x0, method=method) |
| J_sparse = approx_derivative( |
| self.fun, self.x0, sparsity=(structure, groups), method=method) |
| assert_allclose(J_dense, J_sparse.toarray(), |
| rtol=5e-16, atol=7e-15) |
|
|
| def test_check_derivative(self): |
| def jac(x): |
| return csr_matrix(self.jac(x)) |
|
|
| accuracy = check_derivative(self.fun, jac, self.x0, |
| bounds=(self.lb, self.ub)) |
| assert_(accuracy < 1e-9) |
|
|
| accuracy = check_derivative(self.fun, jac, self.x0, |
| bounds=(self.lb, self.ub)) |
| assert_(accuracy < 1e-9) |
|
|
|
|
| class TestApproxDerivativeLinearOperator: |
|
|
| def fun_scalar_scalar(self, x): |
| return np.sinh(x) |
|
|
| def jac_scalar_scalar(self, x): |
| return np.cosh(x) |
|
|
| def fun_scalar_vector(self, x): |
| return np.array([x[0]**2, np.tan(x[0]), np.exp(x[0])]) |
|
|
| def jac_scalar_vector(self, x): |
| return np.array( |
| [2 * x[0], np.cos(x[0]) ** -2, np.exp(x[0])]).reshape(-1, 1) |
|
|
| def fun_vector_scalar(self, x): |
| return np.sin(x[0] * x[1]) * np.log(x[0]) |
|
|
| def jac_vector_scalar(self, x): |
| return np.array([ |
| x[1] * np.cos(x[0] * x[1]) * np.log(x[0]) + |
| np.sin(x[0] * x[1]) / x[0], |
| x[0] * np.cos(x[0] * x[1]) * np.log(x[0]) |
| ]) |
|
|
| def fun_vector_vector(self, x): |
| return np.array([ |
| x[0] * np.sin(x[1]), |
| x[1] * np.cos(x[0]), |
| x[0] ** 3 * x[1] ** -0.5 |
| ]) |
|
|
| def jac_vector_vector(self, x): |
| return np.array([ |
| [np.sin(x[1]), x[0] * np.cos(x[1])], |
| [-x[1] * np.sin(x[0]), np.cos(x[0])], |
| [3 * x[0] ** 2 * x[1] ** -0.5, -0.5 * x[0] ** 3 * x[1] ** -1.5] |
| ]) |
|
|
| def test_scalar_scalar(self): |
| x0 = 1.0 |
| jac_diff_2 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='2-point', |
| as_linear_operator=True) |
| jac_diff_3 = approx_derivative(self.fun_scalar_scalar, x0, |
| as_linear_operator=True) |
| jac_diff_4 = approx_derivative(self.fun_scalar_scalar, x0, |
| method='cs', |
| as_linear_operator=True) |
| jac_true = self.jac_scalar_scalar(x0) |
| np.random.seed(1) |
| for i in range(10): |
| p = np.random.uniform(-10, 10, size=(1,)) |
| assert_allclose(jac_diff_2.dot(p), jac_true*p, |
| rtol=1e-5) |
| assert_allclose(jac_diff_3.dot(p), jac_true*p, |
| rtol=5e-6) |
| assert_allclose(jac_diff_4.dot(p), jac_true*p, |
| rtol=5e-6) |
|
|
| def test_scalar_vector(self): |
| x0 = 0.5 |
| jac_diff_2 = approx_derivative(self.fun_scalar_vector, x0, |
| method='2-point', |
| as_linear_operator=True) |
| jac_diff_3 = approx_derivative(self.fun_scalar_vector, x0, |
| as_linear_operator=True) |
| jac_diff_4 = approx_derivative(self.fun_scalar_vector, x0, |
| method='cs', |
| as_linear_operator=True) |
| jac_true = self.jac_scalar_vector(np.atleast_1d(x0)) |
| np.random.seed(1) |
| for i in range(10): |
| p = np.random.uniform(-10, 10, size=(1,)) |
| assert_allclose(jac_diff_2.dot(p), jac_true.dot(p), |
| rtol=1e-5) |
| assert_allclose(jac_diff_3.dot(p), jac_true.dot(p), |
| rtol=5e-6) |
| assert_allclose(jac_diff_4.dot(p), jac_true.dot(p), |
| rtol=5e-6) |
|
|
| def test_vector_scalar(self): |
| x0 = np.array([100.0, -0.5]) |
| jac_diff_2 = approx_derivative(self.fun_vector_scalar, x0, |
| method='2-point', |
| as_linear_operator=True) |
| jac_diff_3 = approx_derivative(self.fun_vector_scalar, x0, |
| as_linear_operator=True) |
| jac_diff_4 = approx_derivative(self.fun_vector_scalar, x0, |
| method='cs', |
| as_linear_operator=True) |
| jac_true = self.jac_vector_scalar(x0) |
| np.random.seed(1) |
| for i in range(10): |
| p = np.random.uniform(-10, 10, size=x0.shape) |
| assert_allclose(jac_diff_2.dot(p), np.atleast_1d(jac_true.dot(p)), |
| rtol=1e-5) |
| assert_allclose(jac_diff_3.dot(p), np.atleast_1d(jac_true.dot(p)), |
| rtol=5e-6) |
| assert_allclose(jac_diff_4.dot(p), np.atleast_1d(jac_true.dot(p)), |
| rtol=1e-7) |
|
|
| def test_vector_vector(self): |
| x0 = np.array([-100.0, 0.2]) |
| jac_diff_2 = approx_derivative(self.fun_vector_vector, x0, |
| method='2-point', |
| as_linear_operator=True) |
| jac_diff_3 = approx_derivative(self.fun_vector_vector, x0, |
| as_linear_operator=True) |
| jac_diff_4 = approx_derivative(self.fun_vector_vector, x0, |
| method='cs', |
| as_linear_operator=True) |
| jac_true = self.jac_vector_vector(x0) |
| np.random.seed(1) |
| for i in range(10): |
| p = np.random.uniform(-10, 10, size=x0.shape) |
| assert_allclose(jac_diff_2.dot(p), jac_true.dot(p), rtol=1e-5) |
| assert_allclose(jac_diff_3.dot(p), jac_true.dot(p), rtol=1e-6) |
| assert_allclose(jac_diff_4.dot(p), jac_true.dot(p), rtol=1e-7) |
|
|
| def test_exception(self): |
| x0 = np.array([-100.0, 0.2]) |
| assert_raises(ValueError, approx_derivative, |
| self.fun_vector_vector, x0, |
| method='2-point', bounds=(1, np.inf)) |
|
|
|
|
| def test_absolute_step_sign(): |
| |
| |
| |
| |
| |
|
|
| |
| |
| def f(x): |
| return -np.abs(x[0] + 1) + np.abs(x[1] + 1) |
|
|
| |
| grad = approx_derivative(f, [-1, -1], method='2-point', abs_step=1e-8) |
| assert_allclose(grad, [-1.0, 1.0]) |
|
|
| |
| grad = approx_derivative(f, [-1, -1], method='2-point', abs_step=-1e-8) |
| assert_allclose(grad, [1.0, -1.0]) |
|
|
| |
| |
| grad = approx_derivative( |
| f, [-1, -1], method='2-point', abs_step=[1e-8, 1e-8] |
| ) |
| assert_allclose(grad, [-1.0, 1.0]) |
|
|
| |
| grad = approx_derivative( |
| f, [-1, -1], method='2-point', abs_step=[1e-8, -1e-8] |
| ) |
| assert_allclose(grad, [-1.0, -1.0]) |
| grad = approx_derivative( |
| f, [-1, -1], method='2-point', abs_step=[-1e-8, 1e-8] |
| ) |
| assert_allclose(grad, [1.0, 1.0]) |
|
|
| |
| |
| |
| |
| grad = approx_derivative( |
| f, [-1, -1], method='2-point', abs_step=1e-8, |
| bounds=(-np.inf, -1) |
| ) |
| assert_allclose(grad, [1.0, -1.0]) |
|
|
| grad = approx_derivative( |
| f, [-1, -1], method='2-point', abs_step=-1e-8, bounds=(-1, np.inf) |
| ) |
| assert_allclose(grad, [-1.0, 1.0]) |
|
|
|
|
| def test__compute_absolute_step(): |
| |
| methods = ['2-point', '3-point', 'cs'] |
|
|
| x0 = np.array([1e-5, 0, 1, 1e5]) |
|
|
| EPS = np.finfo(np.float64).eps |
| relative_step = { |
| "2-point": EPS**0.5, |
| "3-point": EPS**(1/3), |
| "cs": EPS**0.5 |
| } |
| f0 = np.array(1.0) |
|
|
| for method in methods: |
| rel_step = relative_step[method] |
| correct_step = np.array([rel_step, |
| rel_step * 1., |
| rel_step * 1., |
| rel_step * np.abs(x0[3])]) |
|
|
| abs_step = _compute_absolute_step(None, x0, f0, method) |
| assert_allclose(abs_step, correct_step) |
|
|
| sign_x0 = (-x0 >= 0).astype(float) * 2 - 1 |
| abs_step = _compute_absolute_step(None, -x0, f0, method) |
| assert_allclose(abs_step, sign_x0 * correct_step) |
|
|
| |
| rel_step = np.array([0.1, 1, 10, 100]) |
| correct_step = np.array([rel_step[0] * x0[0], |
| relative_step['2-point'], |
| rel_step[2] * 1., |
| rel_step[3] * np.abs(x0[3])]) |
|
|
| abs_step = _compute_absolute_step(rel_step, x0, f0, '2-point') |
| assert_allclose(abs_step, correct_step) |
|
|
| sign_x0 = (-x0 >= 0).astype(float) * 2 - 1 |
| abs_step = _compute_absolute_step(rel_step, -x0, f0, '2-point') |
| assert_allclose(abs_step, sign_x0 * correct_step) |
|
|