import re import numpy as np from scipy.sparse import csr_matrix import pytest from sklearn.utils._testing import assert_array_equal from sklearn.utils._testing import assert_array_almost_equal from sklearn.utils._testing import assert_allclose from sklearn.metrics.pairwise import kernel_metrics from sklearn.kernel_approximation import RBFSampler from sklearn.kernel_approximation import AdditiveChi2Sampler from sklearn.kernel_approximation import SkewedChi2Sampler from sklearn.kernel_approximation import Nystroem from sklearn.kernel_approximation import PolynomialCountSketch from sklearn.datasets import make_classification from sklearn.metrics.pairwise import polynomial_kernel, rbf_kernel, chi2_kernel # generate data rng = np.random.RandomState(0) X = rng.random_sample(size=(300, 50)) Y = rng.random_sample(size=(300, 50)) X /= X.sum(axis=1)[:, np.newaxis] Y /= Y.sum(axis=1)[:, np.newaxis] @pytest.mark.parametrize("gamma", [0.1, 1, 2.5]) @pytest.mark.parametrize("degree, n_components", [(1, 500), (2, 500), (3, 5000)]) @pytest.mark.parametrize("coef0", [0, 2.5]) def test_polynomial_count_sketch(gamma, degree, coef0, n_components): # test that PolynomialCountSketch approximates polynomial # kernel on random data # compute exact kernel kernel = polynomial_kernel(X, Y, gamma=gamma, degree=degree, coef0=coef0) # approximate kernel mapping ps_transform = PolynomialCountSketch( n_components=n_components, gamma=gamma, coef0=coef0, degree=degree, random_state=42, ) X_trans = ps_transform.fit_transform(X) Y_trans = ps_transform.transform(Y) kernel_approx = np.dot(X_trans, Y_trans.T) error = kernel - kernel_approx assert np.abs(np.mean(error)) <= 0.05 # close to unbiased np.abs(error, out=error) assert np.max(error) <= 0.1 # nothing too far off assert np.mean(error) <= 0.05 # mean is fairly close @pytest.mark.parametrize("gamma", [0.1, 1.0]) @pytest.mark.parametrize("degree", [1, 2, 3]) @pytest.mark.parametrize("coef0", [0, 2.5]) def test_polynomial_count_sketch_dense_sparse(gamma, degree, coef0): """Check that PolynomialCountSketch results are the same for dense and sparse input. """ ps_dense = PolynomialCountSketch( n_components=500, gamma=gamma, degree=degree, coef0=coef0, random_state=42 ) Xt_dense = ps_dense.fit_transform(X) Yt_dense = ps_dense.transform(Y) ps_sparse = PolynomialCountSketch( n_components=500, gamma=gamma, degree=degree, coef0=coef0, random_state=42 ) Xt_sparse = ps_sparse.fit_transform(csr_matrix(X)) Yt_sparse = ps_sparse.transform(csr_matrix(Y)) assert_allclose(Xt_dense, Xt_sparse) assert_allclose(Yt_dense, Yt_sparse) def _linear_kernel(X, Y): return np.dot(X, Y.T) def test_additive_chi2_sampler(): # test that AdditiveChi2Sampler approximates kernel on random data # compute exact kernel # abbreviations for easier formula X_ = X[:, np.newaxis, :] Y_ = Y[np.newaxis, :, :] large_kernel = 2 * X_ * Y_ / (X_ + Y_) # reduce to n_samples_x x n_samples_y by summing over features kernel = large_kernel.sum(axis=2) # approximate kernel mapping transform = AdditiveChi2Sampler(sample_steps=3) X_trans = transform.fit_transform(X) Y_trans = transform.transform(Y) kernel_approx = np.dot(X_trans, Y_trans.T) assert_array_almost_equal(kernel, kernel_approx, 1) X_sp_trans = transform.fit_transform(csr_matrix(X)) Y_sp_trans = transform.transform(csr_matrix(Y)) assert_array_equal(X_trans, X_sp_trans.A) assert_array_equal(Y_trans, Y_sp_trans.A) # test error is raised on negative input Y_neg = Y.copy() Y_neg[0, 0] = -1 msg = "Negative values in data passed to" with pytest.raises(ValueError, match=msg): transform.transform(Y_neg) # test error on invalid sample_steps transform = AdditiveChi2Sampler(sample_steps=4) msg = re.escape( "If sample_steps is not in [1, 2, 3], you need to provide sample_interval" ) with pytest.raises(ValueError, match=msg): transform.fit(X) # test that the sample interval is set correctly sample_steps_available = [1, 2, 3] for sample_steps in sample_steps_available: # test that the sample_interval is initialized correctly transform = AdditiveChi2Sampler(sample_steps=sample_steps) assert transform.sample_interval is None # test that the sample_interval is changed in the fit method transform.fit(X) assert transform.sample_interval_ is not None # test that the sample_interval is set correctly sample_interval = 0.3 transform = AdditiveChi2Sampler(sample_steps=4, sample_interval=sample_interval) assert transform.sample_interval == sample_interval transform.fit(X) assert transform.sample_interval_ == sample_interval def test_skewed_chi2_sampler(): # test that RBFSampler approximates kernel on random data # compute exact kernel c = 0.03 # set on negative component but greater than c to ensure that the kernel # approximation is valid on the group (-c; +\infty) endowed with the skewed # multiplication. Y[0, 0] = -c / 2.0 # abbreviations for easier formula X_c = (X + c)[:, np.newaxis, :] Y_c = (Y + c)[np.newaxis, :, :] # we do it in log-space in the hope that it's more stable # this array is n_samples_x x n_samples_y big x n_features log_kernel = ( (np.log(X_c) / 2.0) + (np.log(Y_c) / 2.0) + np.log(2.0) - np.log(X_c + Y_c) ) # reduce to n_samples_x x n_samples_y by summing over features in log-space kernel = np.exp(log_kernel.sum(axis=2)) # approximate kernel mapping transform = SkewedChi2Sampler(skewedness=c, n_components=1000, random_state=42) X_trans = transform.fit_transform(X) Y_trans = transform.transform(Y) kernel_approx = np.dot(X_trans, Y_trans.T) assert_array_almost_equal(kernel, kernel_approx, 1) assert np.isfinite(kernel).all(), "NaNs found in the Gram matrix" assert np.isfinite(kernel_approx).all(), "NaNs found in the approximate Gram matrix" # test error is raised on when inputs contains values smaller than -c Y_neg = Y.copy() Y_neg[0, 0] = -c * 2.0 msg = "X may not contain entries smaller than -skewedness" with pytest.raises(ValueError, match=msg): transform.transform(Y_neg) def test_additive_chi2_sampler_exceptions(): """Ensures correct error message""" transformer = AdditiveChi2Sampler() X_neg = X.copy() X_neg[0, 0] = -1 with pytest.raises(ValueError, match="X in AdditiveChi2Sampler.fit"): transformer.fit(X_neg) with pytest.raises(ValueError, match="X in AdditiveChi2Sampler.transform"): transformer.fit(X) transformer.transform(X_neg) def test_rbf_sampler(): # test that RBFSampler approximates kernel on random data # compute exact kernel gamma = 10.0 kernel = rbf_kernel(X, Y, gamma=gamma) # approximate kernel mapping rbf_transform = RBFSampler(gamma=gamma, n_components=1000, random_state=42) X_trans = rbf_transform.fit_transform(X) Y_trans = rbf_transform.transform(Y) kernel_approx = np.dot(X_trans, Y_trans.T) error = kernel - kernel_approx assert np.abs(np.mean(error)) <= 0.01 # close to unbiased np.abs(error, out=error) assert np.max(error) <= 0.1 # nothing too far off assert np.mean(error) <= 0.05 # mean is fairly close def test_rbf_sampler_fitted_attributes_dtype(global_dtype): """Check that the fitted attributes are stored accordingly to the data type of X.""" rbf = RBFSampler() X = np.array([[1, 2], [3, 4], [5, 6]], dtype=global_dtype) rbf.fit(X) assert rbf.random_offset_.dtype == global_dtype assert rbf.random_weights_.dtype == global_dtype def test_rbf_sampler_dtype_equivalence(): """Check the equivalence of the results with 32 and 64 bits input.""" rbf32 = RBFSampler(random_state=42) X32 = np.array([[1, 2], [3, 4], [5, 6]], dtype=np.float32) rbf32.fit(X32) rbf64 = RBFSampler(random_state=42) X64 = np.array([[1, 2], [3, 4], [5, 6]], dtype=np.float64) rbf64.fit(X64) assert_allclose(rbf32.random_offset_, rbf64.random_offset_) assert_allclose(rbf32.random_weights_, rbf64.random_weights_) def test_rbf_sampler_gamma_scale(): """Check the inner value computed when `gamma='scale'`.""" X, y = [[0.0], [1.0]], [0, 1] rbf = RBFSampler(gamma="scale") rbf.fit(X, y) assert rbf._gamma == pytest.approx(4) def test_skewed_chi2_sampler_fitted_attributes_dtype(global_dtype): """Check that the fitted attributes are stored accordingly to the data type of X.""" skewed_chi2_sampler = SkewedChi2Sampler() X = np.array([[1, 2], [3, 4], [5, 6]], dtype=global_dtype) skewed_chi2_sampler.fit(X) assert skewed_chi2_sampler.random_offset_.dtype == global_dtype assert skewed_chi2_sampler.random_weights_.dtype == global_dtype def test_skewed_chi2_sampler_dtype_equivalence(): """Check the equivalence of the results with 32 and 64 bits input.""" skewed_chi2_sampler_32 = SkewedChi2Sampler(random_state=42) X_32 = np.array([[1, 2], [3, 4], [5, 6]], dtype=np.float32) skewed_chi2_sampler_32.fit(X_32) skewed_chi2_sampler_64 = SkewedChi2Sampler(random_state=42) X_64 = np.array([[1, 2], [3, 4], [5, 6]], dtype=np.float64) skewed_chi2_sampler_64.fit(X_64) assert_allclose( skewed_chi2_sampler_32.random_offset_, skewed_chi2_sampler_64.random_offset_ ) assert_allclose( skewed_chi2_sampler_32.random_weights_, skewed_chi2_sampler_64.random_weights_ ) def test_input_validation(): # Regression test: kernel approx. transformers should work on lists # No assertions; the old versions would simply crash X = [[1, 2], [3, 4], [5, 6]] AdditiveChi2Sampler().fit(X).transform(X) SkewedChi2Sampler().fit(X).transform(X) RBFSampler().fit(X).transform(X) X = csr_matrix(X) RBFSampler().fit(X).transform(X) def test_nystroem_approximation(): # some basic tests rnd = np.random.RandomState(0) X = rnd.uniform(size=(10, 4)) # With n_components = n_samples this is exact X_transformed = Nystroem(n_components=X.shape[0]).fit_transform(X) K = rbf_kernel(X) assert_array_almost_equal(np.dot(X_transformed, X_transformed.T), K) trans = Nystroem(n_components=2, random_state=rnd) X_transformed = trans.fit(X).transform(X) assert X_transformed.shape == (X.shape[0], 2) # test callable kernel trans = Nystroem(n_components=2, kernel=_linear_kernel, random_state=rnd) X_transformed = trans.fit(X).transform(X) assert X_transformed.shape == (X.shape[0], 2) # test that available kernels fit and transform kernels_available = kernel_metrics() for kern in kernels_available: trans = Nystroem(n_components=2, kernel=kern, random_state=rnd) X_transformed = trans.fit(X).transform(X) assert X_transformed.shape == (X.shape[0], 2) def test_nystroem_default_parameters(): rnd = np.random.RandomState(42) X = rnd.uniform(size=(10, 4)) # rbf kernel should behave as gamma=None by default # aka gamma = 1 / n_features nystroem = Nystroem(n_components=10) X_transformed = nystroem.fit_transform(X) K = rbf_kernel(X, gamma=None) K2 = np.dot(X_transformed, X_transformed.T) assert_array_almost_equal(K, K2) # chi2 kernel should behave as gamma=1 by default nystroem = Nystroem(kernel="chi2", n_components=10) X_transformed = nystroem.fit_transform(X) K = chi2_kernel(X, gamma=1) K2 = np.dot(X_transformed, X_transformed.T) assert_array_almost_equal(K, K2) def test_nystroem_singular_kernel(): # test that nystroem works with singular kernel matrix rng = np.random.RandomState(0) X = rng.rand(10, 20) X = np.vstack([X] * 2) # duplicate samples gamma = 100 N = Nystroem(gamma=gamma, n_components=X.shape[0]).fit(X) X_transformed = N.transform(X) K = rbf_kernel(X, gamma=gamma) assert_array_almost_equal(K, np.dot(X_transformed, X_transformed.T)) assert np.all(np.isfinite(Y)) def test_nystroem_poly_kernel_params(): # Non-regression: Nystroem should pass other parameters beside gamma. rnd = np.random.RandomState(37) X = rnd.uniform(size=(10, 4)) K = polynomial_kernel(X, degree=3.1, coef0=0.1) nystroem = Nystroem( kernel="polynomial", n_components=X.shape[0], degree=3.1, coef0=0.1 ) X_transformed = nystroem.fit_transform(X) assert_array_almost_equal(np.dot(X_transformed, X_transformed.T), K) def test_nystroem_callable(): # Test Nystroem on a callable. rnd = np.random.RandomState(42) n_samples = 10 X = rnd.uniform(size=(n_samples, 4)) def logging_histogram_kernel(x, y, log): """Histogram kernel that writes to a log.""" log.append(1) return np.minimum(x, y).sum() kernel_log = [] X = list(X) # test input validation Nystroem( kernel=logging_histogram_kernel, n_components=(n_samples - 1), kernel_params={"log": kernel_log}, ).fit(X) assert len(kernel_log) == n_samples * (n_samples - 1) / 2 # if degree, gamma or coef0 is passed, we raise a ValueError msg = "Don't pass gamma, coef0 or degree to Nystroem" params = ({"gamma": 1}, {"coef0": 1}, {"degree": 2}) for param in params: ny = Nystroem(kernel=_linear_kernel, n_components=(n_samples - 1), **param) with pytest.raises(ValueError, match=msg): ny.fit(X) def test_nystroem_precomputed_kernel(): # Non-regression: test Nystroem on precomputed kernel. # PR - 14706 rnd = np.random.RandomState(12) X = rnd.uniform(size=(10, 4)) K = polynomial_kernel(X, degree=2, coef0=0.1) nystroem = Nystroem(kernel="precomputed", n_components=X.shape[0]) X_transformed = nystroem.fit_transform(K) assert_array_almost_equal(np.dot(X_transformed, X_transformed.T), K) # if degree, gamma or coef0 is passed, we raise a ValueError msg = "Don't pass gamma, coef0 or degree to Nystroem" params = ({"gamma": 1}, {"coef0": 1}, {"degree": 2}) for param in params: ny = Nystroem(kernel="precomputed", n_components=X.shape[0], **param) with pytest.raises(ValueError, match=msg): ny.fit(K) def test_nystroem_component_indices(): """Check that `component_indices_` corresponds to the subset of training points used to construct the feature map. Non-regression test for: https://github.com/scikit-learn/scikit-learn/issues/20474 """ X, _ = make_classification(n_samples=100, n_features=20) feature_map_nystroem = Nystroem( n_components=10, random_state=0, ) feature_map_nystroem.fit(X) assert feature_map_nystroem.component_indices_.shape == (10,) @pytest.mark.parametrize( "Estimator", [PolynomialCountSketch, RBFSampler, SkewedChi2Sampler, Nystroem] ) def test_get_feature_names_out(Estimator): """Check get_feature_names_out""" est = Estimator().fit(X) X_trans = est.transform(X) names_out = est.get_feature_names_out() class_name = Estimator.__name__.lower() expected_names = [f"{class_name}{i}" for i in range(X_trans.shape[1])] assert_array_equal(names_out, expected_names) def test_additivechi2sampler_get_feature_names_out(): """Check get_feature_names_out for AdditiveChi2Sampler.""" rng = np.random.RandomState(0) X = rng.random_sample(size=(300, 3)) chi2_sampler = AdditiveChi2Sampler(sample_steps=3).fit(X) input_names = ["f0", "f1", "f2"] suffixes = [ "f0_sqrt", "f1_sqrt", "f2_sqrt", "f0_cos1", "f1_cos1", "f2_cos1", "f0_sin1", "f1_sin1", "f2_sin1", "f0_cos2", "f1_cos2", "f2_cos2", "f0_sin2", "f1_sin2", "f2_sin2", ] names_out = chi2_sampler.get_feature_names_out(input_features=input_names) expected_names = [f"additivechi2sampler_{suffix}" for suffix in suffixes] assert_array_equal(names_out, expected_names)