from nose.tools import assert_true from nose.tools import assert_equal from scipy.sparse import csr_matrix from scipy.sparse import csc_matrix from scipy.sparse import coo_matrix from scipy.linalg import eigh import numpy as np from numpy.testing import assert_array_almost_equal from numpy.testing import assert_array_equal from nose.tools import assert_raises from nose.plugins.skip import SkipTest from sklearn.manifold.spectral_embedding_ import SpectralEmbedding from sklearn.manifold.spectral_embedding_ import _graph_is_connected from sklearn.manifold.spectral_embedding_ import _graph_connected_component from sklearn.manifold import spectral_embedding from sklearn.metrics.pairwise import rbf_kernel from sklearn.metrics import normalized_mutual_info_score from sklearn.cluster import KMeans from sklearn.datasets.samples_generator import make_blobs from sklearn.utils.graph import graph_laplacian from sklearn.utils.extmath import _deterministic_vector_sign_flip # non centered, sparse centers to check the centers = np.array([ [0.0, 5.0, 0.0, 0.0, 0.0], [0.0, 0.0, 4.0, 0.0, 0.0], [1.0, 0.0, 0.0, 5.0, 1.0], ]) n_samples = 1000 n_clusters, n_features = centers.shape S, true_labels = make_blobs(n_samples=n_samples, centers=centers, cluster_std=1., random_state=42) def _check_with_col_sign_flipping(A, B, tol=0.0): """ Check array A and B are equal with possible sign flipping on each columns""" sign = True for column_idx in range(A.shape[1]): sign = sign and ((((A[:, column_idx] - B[:, column_idx]) ** 2).mean() <= tol ** 2) or (((A[:, column_idx] + B[:, column_idx]) ** 2).mean() <= tol ** 2)) if not sign: return False return True def test_sparse_graph_connected_component(): rng = np.random.RandomState(42) n_samples = 300 boundaries = [0, 42, 121, 200, n_samples] p = rng.permutation(n_samples) connections = [] for start, stop in zip(boundaries[:-1], boundaries[1:]): group = p[start:stop] # Connect all elements within the group at least once via an # arbitrary path that spans the group. for i in range(len(group) - 1): connections.append((group[i], group[i + 1])) # Add some more random connections within the group min_idx, max_idx = 0, len(group) - 1 n_random_connections = 1000 source = rng.randint(min_idx, max_idx, size=n_random_connections) target = rng.randint(min_idx, max_idx, size=n_random_connections) connections.extend(zip(group[source], group[target])) # Build a symmetric affinity matrix row_idx, column_idx = tuple(np.array(connections).T) data = rng.uniform(.1, 42, size=len(connections)) affinity = coo_matrix((data, (row_idx, column_idx))) affinity = 0.5 * (affinity + affinity.T) for start, stop in zip(boundaries[:-1], boundaries[1:]): component_1 = _graph_connected_component(affinity, p[start]) component_size = stop - start assert_equal(component_1.sum(), component_size) # We should retrieve the same component mask by starting by both ends # of the group component_2 = _graph_connected_component(affinity, p[stop - 1]) assert_equal(component_2.sum(), component_size) assert_array_equal(component_1, component_2) def test_spectral_embedding_two_components(seed=36): # Test spectral embedding with two components random_state = np.random.RandomState(seed) n_sample = 100 affinity = np.zeros(shape=[n_sample * 2, n_sample * 2]) # first component affinity[0:n_sample, 0:n_sample] = np.abs(random_state.randn(n_sample, n_sample)) + 2 # second component affinity[n_sample::, n_sample::] = np.abs(random_state.randn(n_sample, n_sample)) + 2 # Test of internal _graph_connected_component before connection component = _graph_connected_component(affinity, 0) assert_true(component[:n_sample].all()) assert_true(not component[n_sample:].any()) component = _graph_connected_component(affinity, -1) assert_true(not component[:n_sample].any()) assert_true(component[n_sample:].all()) # connection affinity[0, n_sample + 1] = 1 affinity[n_sample + 1, 0] = 1 affinity.flat[::2 * n_sample + 1] = 0 affinity = 0.5 * (affinity + affinity.T) true_label = np.zeros(shape=2 * n_sample) true_label[0:n_sample] = 1 se_precomp = SpectralEmbedding(n_components=1, affinity="precomputed", random_state=np.random.RandomState(seed)) embedded_coordinate = se_precomp.fit_transform(affinity) # Some numpy versions are touchy with types embedded_coordinate = \ se_precomp.fit_transform(affinity.astype(np.float32)) # thresholding on the first components using 0. label_ = np.array(embedded_coordinate.ravel() < 0, dtype="float") assert_equal(normalized_mutual_info_score(true_label, label_), 1.0) def test_spectral_embedding_precomputed_affinity(seed=36): # Test spectral embedding with precomputed kernel gamma = 1.0 se_precomp = SpectralEmbedding(n_components=2, affinity="precomputed", random_state=np.random.RandomState(seed)) se_rbf = SpectralEmbedding(n_components=2, affinity="rbf", gamma=gamma, random_state=np.random.RandomState(seed)) embed_precomp = se_precomp.fit_transform(rbf_kernel(S, gamma=gamma)) embed_rbf = se_rbf.fit_transform(S) assert_array_almost_equal( se_precomp.affinity_matrix_, se_rbf.affinity_matrix_) assert_true(_check_with_col_sign_flipping(embed_precomp, embed_rbf, 0.05)) def test_spectral_embedding_callable_affinity(seed=36): # Test spectral embedding with callable affinity gamma = 0.9 kern = rbf_kernel(S, gamma=gamma) se_callable = SpectralEmbedding(n_components=2, affinity=( lambda x: rbf_kernel(x, gamma=gamma)), gamma=gamma, random_state=np.random.RandomState(seed)) se_rbf = SpectralEmbedding(n_components=2, affinity="rbf", gamma=gamma, random_state=np.random.RandomState(seed)) embed_rbf = se_rbf.fit_transform(S) embed_callable = se_callable.fit_transform(S) assert_array_almost_equal( se_callable.affinity_matrix_, se_rbf.affinity_matrix_) assert_array_almost_equal(kern, se_rbf.affinity_matrix_) assert_true( _check_with_col_sign_flipping(embed_rbf, embed_callable, 0.05)) def test_spectral_embedding_amg_solver(seed=36): # Test spectral embedding with amg solver try: from pyamg import smoothed_aggregation_solver except ImportError: raise SkipTest("pyamg not available.") se_amg = SpectralEmbedding(n_components=2, affinity="nearest_neighbors", eigen_solver="amg", n_neighbors=5, random_state=np.random.RandomState(seed)) se_arpack = SpectralEmbedding(n_components=2, affinity="nearest_neighbors", eigen_solver="arpack", n_neighbors=5, random_state=np.random.RandomState(seed)) embed_amg = se_amg.fit_transform(S) embed_arpack = se_arpack.fit_transform(S) assert_true(_check_with_col_sign_flipping(embed_amg, embed_arpack, 0.05)) def test_pipeline_spectral_clustering(seed=36): # Test using pipeline to do spectral clustering random_state = np.random.RandomState(seed) se_rbf = SpectralEmbedding(n_components=n_clusters, affinity="rbf", random_state=random_state) se_knn = SpectralEmbedding(n_components=n_clusters, affinity="nearest_neighbors", n_neighbors=5, random_state=random_state) for se in [se_rbf, se_knn]: km = KMeans(n_clusters=n_clusters, random_state=random_state) km.fit(se.fit_transform(S)) assert_array_almost_equal( normalized_mutual_info_score( km.labels_, true_labels), 1.0, 2) def test_spectral_embedding_unknown_eigensolver(seed=36): # Test that SpectralClustering fails with an unknown eigensolver se = SpectralEmbedding(n_components=1, affinity="precomputed", random_state=np.random.RandomState(seed), eigen_solver="") assert_raises(ValueError, se.fit, S) def test_spectral_embedding_unknown_affinity(seed=36): # Test that SpectralClustering fails with an unknown affinity type se = SpectralEmbedding(n_components=1, affinity="", random_state=np.random.RandomState(seed)) assert_raises(ValueError, se.fit, S) def test_connectivity(seed=36): # Test that graph connectivity test works as expected graph = np.array([[1, 0, 0, 0, 0], [0, 1, 1, 0, 0], [0, 1, 1, 1, 0], [0, 0, 1, 1, 1], [0, 0, 0, 1, 1]]) assert_equal(_graph_is_connected(graph), False) assert_equal(_graph_is_connected(csr_matrix(graph)), False) assert_equal(_graph_is_connected(csc_matrix(graph)), False) graph = np.array([[1, 1, 0, 0, 0], [1, 1, 1, 0, 0], [0, 1, 1, 1, 0], [0, 0, 1, 1, 1], [0, 0, 0, 1, 1]]) assert_equal(_graph_is_connected(graph), True) assert_equal(_graph_is_connected(csr_matrix(graph)), True) assert_equal(_graph_is_connected(csc_matrix(graph)), True) def test_spectral_embedding_deterministic(): # Test that Spectral Embedding is deterministic random_state = np.random.RandomState(36) data = random_state.randn(10, 30) sims = rbf_kernel(data) embedding_1 = spectral_embedding(sims) embedding_2 = spectral_embedding(sims) assert_array_almost_equal(embedding_1, embedding_2) def test_spectral_embedding_unnormalized(): # Test that spectral_embedding is also processing unnormalized laplacian # correctly random_state = np.random.RandomState(36) data = random_state.randn(10, 30) sims = rbf_kernel(data) n_components = 8 embedding_1 = spectral_embedding(sims, norm_laplacian=False, n_components=n_components, drop_first=False) # Verify using manual computation with dense eigh laplacian, dd = graph_laplacian(sims, normed=False, return_diag=True) _, diffusion_map = eigh(laplacian) embedding_2 = diffusion_map.T[:n_components] * dd embedding_2 = _deterministic_vector_sign_flip(embedding_2).T assert_array_almost_equal(embedding_1, embedding_2)