1423 lines
47 KiB
Python
1423 lines
47 KiB
Python
# Author: Wei Xue <xuewei4d@gmail.com>
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# Thierry Guillemot <thierry.guillemot.work@gmail.com>
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# License: BSD 3 clause
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import copy
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import itertools
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import re
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import sys
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import warnings
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from io import StringIO
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from unittest.mock import Mock
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import numpy as np
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import pytest
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from scipy import linalg, stats
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import sklearn
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from sklearn.cluster import KMeans
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from sklearn.covariance import EmpiricalCovariance
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from sklearn.datasets import make_spd_matrix
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from sklearn.exceptions import ConvergenceWarning, NotFittedError
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from sklearn.metrics.cluster import adjusted_rand_score
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from sklearn.mixture import GaussianMixture
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from sklearn.mixture._gaussian_mixture import (
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_compute_log_det_cholesky,
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_compute_precision_cholesky,
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_estimate_gaussian_covariances_diag,
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_estimate_gaussian_covariances_full,
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_estimate_gaussian_covariances_spherical,
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_estimate_gaussian_covariances_tied,
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_estimate_gaussian_parameters,
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)
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from sklearn.utils._testing import (
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assert_allclose,
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assert_almost_equal,
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assert_array_almost_equal,
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assert_array_equal,
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ignore_warnings,
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)
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from sklearn.utils.extmath import fast_logdet
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COVARIANCE_TYPE = ["full", "tied", "diag", "spherical"]
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def generate_data(n_samples, n_features, weights, means, precisions, covariance_type):
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rng = np.random.RandomState(0)
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X = []
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if covariance_type == "spherical":
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for _, (w, m, c) in enumerate(zip(weights, means, precisions["spherical"])):
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X.append(
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rng.multivariate_normal(
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m, c * np.eye(n_features), int(np.round(w * n_samples))
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)
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)
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if covariance_type == "diag":
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for _, (w, m, c) in enumerate(zip(weights, means, precisions["diag"])):
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X.append(
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rng.multivariate_normal(m, np.diag(c), int(np.round(w * n_samples)))
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)
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if covariance_type == "tied":
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for _, (w, m) in enumerate(zip(weights, means)):
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X.append(
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rng.multivariate_normal(
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m, precisions["tied"], int(np.round(w * n_samples))
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)
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)
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if covariance_type == "full":
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for _, (w, m, c) in enumerate(zip(weights, means, precisions["full"])):
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X.append(rng.multivariate_normal(m, c, int(np.round(w * n_samples))))
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X = np.vstack(X)
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return X
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class RandomData:
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def __init__(self, rng, n_samples=200, n_components=2, n_features=2, scale=50):
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self.n_samples = n_samples
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self.n_components = n_components
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self.n_features = n_features
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self.weights = rng.rand(n_components)
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self.weights = self.weights / self.weights.sum()
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self.means = rng.rand(n_components, n_features) * scale
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self.covariances = {
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"spherical": 0.5 + rng.rand(n_components),
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"diag": (0.5 + rng.rand(n_components, n_features)) ** 2,
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"tied": make_spd_matrix(n_features, random_state=rng),
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"full": np.array(
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[
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make_spd_matrix(n_features, random_state=rng) * 0.5
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for _ in range(n_components)
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]
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),
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}
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self.precisions = {
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"spherical": 1.0 / self.covariances["spherical"],
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"diag": 1.0 / self.covariances["diag"],
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"tied": linalg.inv(self.covariances["tied"]),
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"full": np.array(
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[linalg.inv(covariance) for covariance in self.covariances["full"]]
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),
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}
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self.X = dict(
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zip(
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COVARIANCE_TYPE,
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[
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generate_data(
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n_samples,
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n_features,
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self.weights,
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self.means,
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self.covariances,
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covar_type,
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)
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for covar_type in COVARIANCE_TYPE
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],
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)
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)
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self.Y = np.hstack(
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[
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np.full(int(np.round(w * n_samples)), k, dtype=int)
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for k, w in enumerate(self.weights)
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]
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)
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def test_gaussian_mixture_attributes():
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# test bad parameters
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rng = np.random.RandomState(0)
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X = rng.rand(10, 2)
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# test good parameters
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n_components, tol, n_init, max_iter, reg_covar = 2, 1e-4, 3, 30, 1e-1
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covariance_type, init_params = "full", "random"
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gmm = GaussianMixture(
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n_components=n_components,
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tol=tol,
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n_init=n_init,
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max_iter=max_iter,
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reg_covar=reg_covar,
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covariance_type=covariance_type,
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init_params=init_params,
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).fit(X)
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assert gmm.n_components == n_components
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assert gmm.covariance_type == covariance_type
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assert gmm.tol == tol
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assert gmm.reg_covar == reg_covar
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assert gmm.max_iter == max_iter
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assert gmm.n_init == n_init
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assert gmm.init_params == init_params
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def test_check_weights():
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rng = np.random.RandomState(0)
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rand_data = RandomData(rng)
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n_components = rand_data.n_components
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X = rand_data.X["full"]
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g = GaussianMixture(n_components=n_components)
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# Check bad shape
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weights_bad_shape = rng.rand(n_components, 1)
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g.weights_init = weights_bad_shape
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msg = re.escape(
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"The parameter 'weights' should have the shape of "
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f"({n_components},), but got {str(weights_bad_shape.shape)}"
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)
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check bad range
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weights_bad_range = rng.rand(n_components) + 1
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g.weights_init = weights_bad_range
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msg = re.escape(
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"The parameter 'weights' should be in the range [0, 1], but got"
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f" max value {np.min(weights_bad_range):.5f}, "
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f"min value {np.max(weights_bad_range):.5f}"
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)
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check bad normalization
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weights_bad_norm = rng.rand(n_components)
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weights_bad_norm = weights_bad_norm / (weights_bad_norm.sum() + 1)
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g.weights_init = weights_bad_norm
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msg = re.escape(
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"The parameter 'weights' should be normalized, "
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f"but got sum(weights) = {np.sum(weights_bad_norm):.5f}"
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)
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check good weights matrix
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weights = rand_data.weights
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g = GaussianMixture(weights_init=weights, n_components=n_components)
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g.fit(X)
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assert_array_equal(weights, g.weights_init)
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def test_check_means():
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rng = np.random.RandomState(0)
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rand_data = RandomData(rng)
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n_components, n_features = rand_data.n_components, rand_data.n_features
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X = rand_data.X["full"]
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g = GaussianMixture(n_components=n_components)
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# Check means bad shape
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means_bad_shape = rng.rand(n_components + 1, n_features)
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g.means_init = means_bad_shape
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msg = "The parameter 'means' should have the shape of "
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check good means matrix
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means = rand_data.means
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g.means_init = means
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g.fit(X)
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assert_array_equal(means, g.means_init)
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def test_check_precisions():
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rng = np.random.RandomState(0)
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rand_data = RandomData(rng)
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n_components, n_features = rand_data.n_components, rand_data.n_features
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# Define the bad precisions for each covariance_type
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precisions_bad_shape = {
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"full": np.ones((n_components + 1, n_features, n_features)),
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"tied": np.ones((n_features + 1, n_features + 1)),
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"diag": np.ones((n_components + 1, n_features)),
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"spherical": np.ones((n_components + 1)),
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}
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# Define not positive-definite precisions
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precisions_not_pos = np.ones((n_components, n_features, n_features))
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precisions_not_pos[0] = np.eye(n_features)
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precisions_not_pos[0, 0, 0] = -1.0
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precisions_not_positive = {
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"full": precisions_not_pos,
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"tied": precisions_not_pos[0],
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"diag": np.full((n_components, n_features), -1.0),
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"spherical": np.full(n_components, -1.0),
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}
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not_positive_errors = {
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"full": "symmetric, positive-definite",
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"tied": "symmetric, positive-definite",
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"diag": "positive",
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"spherical": "positive",
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}
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for covar_type in COVARIANCE_TYPE:
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X = RandomData(rng).X[covar_type]
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g = GaussianMixture(
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n_components=n_components, covariance_type=covar_type, random_state=rng
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)
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# Check precisions with bad shapes
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g.precisions_init = precisions_bad_shape[covar_type]
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msg = f"The parameter '{covar_type} precision' should have the shape of"
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check not positive precisions
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g.precisions_init = precisions_not_positive[covar_type]
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msg = f"'{covar_type} precision' should be {not_positive_errors[covar_type]}"
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with pytest.raises(ValueError, match=msg):
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g.fit(X)
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# Check the correct init of precisions_init
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g.precisions_init = rand_data.precisions[covar_type]
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g.fit(X)
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assert_array_equal(rand_data.precisions[covar_type], g.precisions_init)
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def test_suffstat_sk_full():
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# compare the precision matrix compute from the
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# EmpiricalCovariance.covariance fitted on X*sqrt(resp)
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# with _sufficient_sk_full, n_components=1
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rng = np.random.RandomState(0)
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n_samples, n_features = 500, 2
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# special case 1, assuming data is "centered"
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X = rng.rand(n_samples, n_features)
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resp = rng.rand(n_samples, 1)
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X_resp = np.sqrt(resp) * X
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nk = np.array([n_samples])
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xk = np.zeros((1, n_features))
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covars_pred = _estimate_gaussian_covariances_full(resp, X, nk, xk, 0)
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ecov = EmpiricalCovariance(assume_centered=True)
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ecov.fit(X_resp)
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assert_almost_equal(ecov.error_norm(covars_pred[0], norm="frobenius"), 0)
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assert_almost_equal(ecov.error_norm(covars_pred[0], norm="spectral"), 0)
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# check the precision computation
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precs_chol_pred = _compute_precision_cholesky(covars_pred, "full")
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precs_pred = np.array([np.dot(prec, prec.T) for prec in precs_chol_pred])
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precs_est = np.array([linalg.inv(cov) for cov in covars_pred])
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assert_array_almost_equal(precs_est, precs_pred)
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# special case 2, assuming resp are all ones
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resp = np.ones((n_samples, 1))
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nk = np.array([n_samples])
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xk = X.mean(axis=0).reshape((1, -1))
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covars_pred = _estimate_gaussian_covariances_full(resp, X, nk, xk, 0)
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ecov = EmpiricalCovariance(assume_centered=False)
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ecov.fit(X)
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assert_almost_equal(ecov.error_norm(covars_pred[0], norm="frobenius"), 0)
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assert_almost_equal(ecov.error_norm(covars_pred[0], norm="spectral"), 0)
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# check the precision computation
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precs_chol_pred = _compute_precision_cholesky(covars_pred, "full")
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precs_pred = np.array([np.dot(prec, prec.T) for prec in precs_chol_pred])
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precs_est = np.array([linalg.inv(cov) for cov in covars_pred])
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assert_array_almost_equal(precs_est, precs_pred)
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def test_suffstat_sk_tied():
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# use equation Nk * Sk / N = S_tied
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rng = np.random.RandomState(0)
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n_samples, n_features, n_components = 500, 2, 2
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resp = rng.rand(n_samples, n_components)
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resp = resp / resp.sum(axis=1)[:, np.newaxis]
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X = rng.rand(n_samples, n_features)
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nk = resp.sum(axis=0)
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xk = np.dot(resp.T, X) / nk[:, np.newaxis]
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covars_pred_full = _estimate_gaussian_covariances_full(resp, X, nk, xk, 0)
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covars_pred_full = (
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np.sum(nk[:, np.newaxis, np.newaxis] * covars_pred_full, 0) / n_samples
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)
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covars_pred_tied = _estimate_gaussian_covariances_tied(resp, X, nk, xk, 0)
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ecov = EmpiricalCovariance()
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ecov.covariance_ = covars_pred_full
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assert_almost_equal(ecov.error_norm(covars_pred_tied, norm="frobenius"), 0)
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assert_almost_equal(ecov.error_norm(covars_pred_tied, norm="spectral"), 0)
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# check the precision computation
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precs_chol_pred = _compute_precision_cholesky(covars_pred_tied, "tied")
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precs_pred = np.dot(precs_chol_pred, precs_chol_pred.T)
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precs_est = linalg.inv(covars_pred_tied)
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assert_array_almost_equal(precs_est, precs_pred)
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def test_suffstat_sk_diag():
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# test against 'full' case
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rng = np.random.RandomState(0)
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n_samples, n_features, n_components = 500, 2, 2
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resp = rng.rand(n_samples, n_components)
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resp = resp / resp.sum(axis=1)[:, np.newaxis]
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X = rng.rand(n_samples, n_features)
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nk = resp.sum(axis=0)
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xk = np.dot(resp.T, X) / nk[:, np.newaxis]
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covars_pred_full = _estimate_gaussian_covariances_full(resp, X, nk, xk, 0)
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covars_pred_diag = _estimate_gaussian_covariances_diag(resp, X, nk, xk, 0)
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ecov = EmpiricalCovariance()
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for cov_full, cov_diag in zip(covars_pred_full, covars_pred_diag):
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ecov.covariance_ = np.diag(np.diag(cov_full))
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cov_diag = np.diag(cov_diag)
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assert_almost_equal(ecov.error_norm(cov_diag, norm="frobenius"), 0)
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assert_almost_equal(ecov.error_norm(cov_diag, norm="spectral"), 0)
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# check the precision computation
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precs_chol_pred = _compute_precision_cholesky(covars_pred_diag, "diag")
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assert_almost_equal(covars_pred_diag, 1.0 / precs_chol_pred**2)
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def test_gaussian_suffstat_sk_spherical():
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# computing spherical covariance equals to the variance of one-dimension
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# data after flattening, n_components=1
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rng = np.random.RandomState(0)
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n_samples, n_features = 500, 2
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X = rng.rand(n_samples, n_features)
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X = X - X.mean()
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resp = np.ones((n_samples, 1))
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nk = np.array([n_samples])
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xk = X.mean()
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covars_pred_spherical = _estimate_gaussian_covariances_spherical(resp, X, nk, xk, 0)
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covars_pred_spherical2 = np.dot(X.flatten().T, X.flatten()) / (
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n_features * n_samples
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)
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assert_almost_equal(covars_pred_spherical, covars_pred_spherical2)
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# check the precision computation
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precs_chol_pred = _compute_precision_cholesky(covars_pred_spherical, "spherical")
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assert_almost_equal(covars_pred_spherical, 1.0 / precs_chol_pred**2)
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def test_compute_log_det_cholesky():
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n_features = 2
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rand_data = RandomData(np.random.RandomState(0))
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for covar_type in COVARIANCE_TYPE:
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covariance = rand_data.covariances[covar_type]
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if covar_type == "full":
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predected_det = np.array([linalg.det(cov) for cov in covariance])
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elif covar_type == "tied":
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predected_det = linalg.det(covariance)
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elif covar_type == "diag":
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predected_det = np.array([np.prod(cov) for cov in covariance])
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elif covar_type == "spherical":
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predected_det = covariance**n_features
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# We compute the cholesky decomposition of the covariance matrix
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expected_det = _compute_log_det_cholesky(
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_compute_precision_cholesky(covariance, covar_type),
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covar_type,
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n_features=n_features,
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)
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assert_array_almost_equal(expected_det, -0.5 * np.log(predected_det))
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def _naive_lmvnpdf_diag(X, means, covars):
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resp = np.empty((len(X), len(means)))
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stds = np.sqrt(covars)
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for i, (mean, std) in enumerate(zip(means, stds)):
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resp[:, i] = stats.norm.logpdf(X, mean, std).sum(axis=1)
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return resp
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def test_gaussian_mixture_log_probabilities():
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from sklearn.mixture._gaussian_mixture import _estimate_log_gaussian_prob
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# test against with _naive_lmvnpdf_diag
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rng = np.random.RandomState(0)
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rand_data = RandomData(rng)
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n_samples = 500
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n_features = rand_data.n_features
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n_components = rand_data.n_components
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means = rand_data.means
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covars_diag = rng.rand(n_components, n_features)
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X = rng.rand(n_samples, n_features)
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log_prob_naive = _naive_lmvnpdf_diag(X, means, covars_diag)
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# full covariances
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precs_full = np.array([np.diag(1.0 / np.sqrt(x)) for x in covars_diag])
|
|
|
|
log_prob = _estimate_log_gaussian_prob(X, means, precs_full, "full")
|
|
assert_array_almost_equal(log_prob, log_prob_naive)
|
|
|
|
# diag covariances
|
|
precs_chol_diag = 1.0 / np.sqrt(covars_diag)
|
|
log_prob = _estimate_log_gaussian_prob(X, means, precs_chol_diag, "diag")
|
|
assert_array_almost_equal(log_prob, log_prob_naive)
|
|
|
|
# tied
|
|
covars_tied = np.array([x for x in covars_diag]).mean(axis=0)
|
|
precs_tied = np.diag(np.sqrt(1.0 / covars_tied))
|
|
|
|
log_prob_naive = _naive_lmvnpdf_diag(X, means, [covars_tied] * n_components)
|
|
log_prob = _estimate_log_gaussian_prob(X, means, precs_tied, "tied")
|
|
|
|
assert_array_almost_equal(log_prob, log_prob_naive)
|
|
|
|
# spherical
|
|
covars_spherical = covars_diag.mean(axis=1)
|
|
precs_spherical = 1.0 / np.sqrt(covars_diag.mean(axis=1))
|
|
log_prob_naive = _naive_lmvnpdf_diag(
|
|
X, means, [[k] * n_features for k in covars_spherical]
|
|
)
|
|
log_prob = _estimate_log_gaussian_prob(X, means, precs_spherical, "spherical")
|
|
assert_array_almost_equal(log_prob, log_prob_naive)
|
|
|
|
|
|
# skip tests on weighted_log_probabilities, log_weights
|
|
|
|
|
|
def test_gaussian_mixture_estimate_log_prob_resp():
|
|
# test whether responsibilities are normalized
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=5)
|
|
n_samples = rand_data.n_samples
|
|
n_features = rand_data.n_features
|
|
n_components = rand_data.n_components
|
|
|
|
X = rng.rand(n_samples, n_features)
|
|
for covar_type in COVARIANCE_TYPE:
|
|
weights = rand_data.weights
|
|
means = rand_data.means
|
|
precisions = rand_data.precisions[covar_type]
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
random_state=rng,
|
|
weights_init=weights,
|
|
means_init=means,
|
|
precisions_init=precisions,
|
|
covariance_type=covar_type,
|
|
)
|
|
g.fit(X)
|
|
resp = g.predict_proba(X)
|
|
assert_array_almost_equal(resp.sum(axis=1), np.ones(n_samples))
|
|
assert_array_equal(g.weights_init, weights)
|
|
assert_array_equal(g.means_init, means)
|
|
assert_array_equal(g.precisions_init, precisions)
|
|
|
|
|
|
def test_gaussian_mixture_predict_predict_proba():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng)
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
Y = rand_data.Y
|
|
g = GaussianMixture(
|
|
n_components=rand_data.n_components,
|
|
random_state=rng,
|
|
weights_init=rand_data.weights,
|
|
means_init=rand_data.means,
|
|
precisions_init=rand_data.precisions[covar_type],
|
|
covariance_type=covar_type,
|
|
)
|
|
|
|
# Check a warning message arrive if we don't do fit
|
|
msg = (
|
|
"This GaussianMixture instance is not fitted yet. Call 'fit' "
|
|
"with appropriate arguments before using this estimator."
|
|
)
|
|
with pytest.raises(NotFittedError, match=msg):
|
|
g.predict(X)
|
|
|
|
g.fit(X)
|
|
Y_pred = g.predict(X)
|
|
Y_pred_proba = g.predict_proba(X).argmax(axis=1)
|
|
assert_array_equal(Y_pred, Y_pred_proba)
|
|
assert adjusted_rand_score(Y, Y_pred) > 0.95
|
|
|
|
|
|
@pytest.mark.filterwarnings("ignore:.*did not converge.*")
|
|
@pytest.mark.parametrize(
|
|
"seed, max_iter, tol",
|
|
[
|
|
(0, 2, 1e-7), # strict non-convergence
|
|
(1, 2, 1e-1), # loose non-convergence
|
|
(3, 300, 1e-7), # strict convergence
|
|
(4, 300, 1e-1), # loose convergence
|
|
],
|
|
)
|
|
def test_gaussian_mixture_fit_predict(seed, max_iter, tol):
|
|
rng = np.random.RandomState(seed)
|
|
rand_data = RandomData(rng)
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
Y = rand_data.Y
|
|
g = GaussianMixture(
|
|
n_components=rand_data.n_components,
|
|
random_state=rng,
|
|
weights_init=rand_data.weights,
|
|
means_init=rand_data.means,
|
|
precisions_init=rand_data.precisions[covar_type],
|
|
covariance_type=covar_type,
|
|
max_iter=max_iter,
|
|
tol=tol,
|
|
)
|
|
|
|
# check if fit_predict(X) is equivalent to fit(X).predict(X)
|
|
f = copy.deepcopy(g)
|
|
Y_pred1 = f.fit(X).predict(X)
|
|
Y_pred2 = g.fit_predict(X)
|
|
assert_array_equal(Y_pred1, Y_pred2)
|
|
assert adjusted_rand_score(Y, Y_pred2) > 0.95
|
|
|
|
|
|
def test_gaussian_mixture_fit_predict_n_init():
|
|
# Check that fit_predict is equivalent to fit.predict, when n_init > 1
|
|
X = np.random.RandomState(0).randn(1000, 5)
|
|
gm = GaussianMixture(n_components=5, n_init=5, random_state=0)
|
|
y_pred1 = gm.fit_predict(X)
|
|
y_pred2 = gm.predict(X)
|
|
assert_array_equal(y_pred1, y_pred2)
|
|
|
|
|
|
def test_gaussian_mixture_fit():
|
|
# recover the ground truth
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng)
|
|
n_features = rand_data.n_features
|
|
n_components = rand_data.n_components
|
|
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=20,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
g.fit(X)
|
|
|
|
# needs more data to pass the test with rtol=1e-7
|
|
assert_allclose(
|
|
np.sort(g.weights_), np.sort(rand_data.weights), rtol=0.1, atol=1e-2
|
|
)
|
|
|
|
arg_idx1 = g.means_[:, 0].argsort()
|
|
arg_idx2 = rand_data.means[:, 0].argsort()
|
|
assert_allclose(
|
|
g.means_[arg_idx1], rand_data.means[arg_idx2], rtol=0.1, atol=1e-2
|
|
)
|
|
|
|
if covar_type == "full":
|
|
prec_pred = g.precisions_
|
|
prec_test = rand_data.precisions["full"]
|
|
elif covar_type == "tied":
|
|
prec_pred = np.array([g.precisions_] * n_components)
|
|
prec_test = np.array([rand_data.precisions["tied"]] * n_components)
|
|
elif covar_type == "spherical":
|
|
prec_pred = np.array([np.eye(n_features) * c for c in g.precisions_])
|
|
prec_test = np.array(
|
|
[np.eye(n_features) * c for c in rand_data.precisions["spherical"]]
|
|
)
|
|
elif covar_type == "diag":
|
|
prec_pred = np.array([np.diag(d) for d in g.precisions_])
|
|
prec_test = np.array([np.diag(d) for d in rand_data.precisions["diag"]])
|
|
|
|
arg_idx1 = np.trace(prec_pred, axis1=1, axis2=2).argsort()
|
|
arg_idx2 = np.trace(prec_test, axis1=1, axis2=2).argsort()
|
|
for k, h in zip(arg_idx1, arg_idx2):
|
|
ecov = EmpiricalCovariance()
|
|
ecov.covariance_ = prec_test[h]
|
|
# the accuracy depends on the number of data and randomness, rng
|
|
assert_allclose(ecov.error_norm(prec_pred[k]), 0, atol=0.15)
|
|
|
|
|
|
def test_gaussian_mixture_fit_best_params():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng)
|
|
n_components = rand_data.n_components
|
|
n_init = 10
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
ll = []
|
|
for _ in range(n_init):
|
|
g.fit(X)
|
|
ll.append(g.score(X))
|
|
ll = np.array(ll)
|
|
g_best = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=n_init,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
g_best.fit(X)
|
|
assert_almost_equal(ll.min(), g_best.score(X))
|
|
|
|
|
|
def test_gaussian_mixture_fit_convergence_warning():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=1)
|
|
n_components = rand_data.n_components
|
|
max_iter = 1
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=max_iter,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
msg = (
|
|
"Best performing initialization did not converge. "
|
|
"Try different init parameters, or increase max_iter, "
|
|
"tol, or check for degenerate data."
|
|
)
|
|
with pytest.warns(ConvergenceWarning, match=msg):
|
|
g.fit(X)
|
|
|
|
|
|
def test_multiple_init():
|
|
# Test that multiple inits does not much worse than a single one
|
|
rng = np.random.RandomState(0)
|
|
n_samples, n_features, n_components = 50, 5, 2
|
|
X = rng.randn(n_samples, n_features)
|
|
for cv_type in COVARIANCE_TYPE:
|
|
train1 = (
|
|
GaussianMixture(
|
|
n_components=n_components, covariance_type=cv_type, random_state=0
|
|
)
|
|
.fit(X)
|
|
.score(X)
|
|
)
|
|
train2 = (
|
|
GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=cv_type,
|
|
random_state=0,
|
|
n_init=5,
|
|
)
|
|
.fit(X)
|
|
.score(X)
|
|
)
|
|
assert train2 >= train1
|
|
|
|
|
|
def test_gaussian_mixture_n_parameters():
|
|
# Test that the right number of parameters is estimated
|
|
rng = np.random.RandomState(0)
|
|
n_samples, n_features, n_components = 50, 5, 2
|
|
X = rng.randn(n_samples, n_features)
|
|
n_params = {"spherical": 13, "diag": 21, "tied": 26, "full": 41}
|
|
for cv_type in COVARIANCE_TYPE:
|
|
g = GaussianMixture(
|
|
n_components=n_components, covariance_type=cv_type, random_state=rng
|
|
).fit(X)
|
|
assert g._n_parameters() == n_params[cv_type]
|
|
|
|
|
|
def test_bic_1d_1component():
|
|
# Test all of the covariance_types return the same BIC score for
|
|
# 1-dimensional, 1 component fits.
|
|
rng = np.random.RandomState(0)
|
|
n_samples, n_dim, n_components = 100, 1, 1
|
|
X = rng.randn(n_samples, n_dim)
|
|
bic_full = (
|
|
GaussianMixture(
|
|
n_components=n_components, covariance_type="full", random_state=rng
|
|
)
|
|
.fit(X)
|
|
.bic(X)
|
|
)
|
|
for covariance_type in ["tied", "diag", "spherical"]:
|
|
bic = (
|
|
GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=covariance_type,
|
|
random_state=rng,
|
|
)
|
|
.fit(X)
|
|
.bic(X)
|
|
)
|
|
assert_almost_equal(bic_full, bic)
|
|
|
|
|
|
def test_gaussian_mixture_aic_bic():
|
|
# Test the aic and bic criteria
|
|
rng = np.random.RandomState(0)
|
|
n_samples, n_features, n_components = 50, 3, 2
|
|
X = rng.randn(n_samples, n_features)
|
|
# standard gaussian entropy
|
|
sgh = 0.5 * (
|
|
fast_logdet(np.cov(X.T, bias=1)) + n_features * (1 + np.log(2 * np.pi))
|
|
)
|
|
for cv_type in COVARIANCE_TYPE:
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=cv_type,
|
|
random_state=rng,
|
|
max_iter=200,
|
|
)
|
|
g.fit(X)
|
|
aic = 2 * n_samples * sgh + 2 * g._n_parameters()
|
|
bic = 2 * n_samples * sgh + np.log(n_samples) * g._n_parameters()
|
|
bound = n_features / np.sqrt(n_samples)
|
|
assert (g.aic(X) - aic) / n_samples < bound
|
|
assert (g.bic(X) - bic) / n_samples < bound
|
|
|
|
|
|
def test_gaussian_mixture_verbose():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng)
|
|
n_components = rand_data.n_components
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
verbose=1,
|
|
)
|
|
h = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
verbose=2,
|
|
)
|
|
old_stdout = sys.stdout
|
|
sys.stdout = StringIO()
|
|
try:
|
|
g.fit(X)
|
|
h.fit(X)
|
|
finally:
|
|
sys.stdout = old_stdout
|
|
|
|
|
|
@pytest.mark.filterwarnings("ignore:.*did not converge.*")
|
|
@pytest.mark.parametrize("seed", (0, 1, 2))
|
|
def test_warm_start(seed):
|
|
random_state = seed
|
|
rng = np.random.RandomState(random_state)
|
|
n_samples, n_features, n_components = 500, 2, 2
|
|
X = rng.rand(n_samples, n_features)
|
|
|
|
# Assert the warm_start give the same result for the same number of iter
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=2,
|
|
reg_covar=0,
|
|
random_state=random_state,
|
|
warm_start=False,
|
|
)
|
|
h = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=1,
|
|
reg_covar=0,
|
|
random_state=random_state,
|
|
warm_start=True,
|
|
)
|
|
|
|
g.fit(X)
|
|
score1 = h.fit(X).score(X)
|
|
score2 = h.fit(X).score(X)
|
|
|
|
assert_almost_equal(g.weights_, h.weights_)
|
|
assert_almost_equal(g.means_, h.means_)
|
|
assert_almost_equal(g.precisions_, h.precisions_)
|
|
assert score2 > score1
|
|
|
|
# Assert that by using warm_start we can converge to a good solution
|
|
g = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=5,
|
|
reg_covar=0,
|
|
random_state=random_state,
|
|
warm_start=False,
|
|
tol=1e-6,
|
|
)
|
|
h = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=5,
|
|
reg_covar=0,
|
|
random_state=random_state,
|
|
warm_start=True,
|
|
tol=1e-6,
|
|
)
|
|
|
|
g.fit(X)
|
|
assert not g.converged_
|
|
|
|
h.fit(X)
|
|
# depending on the data there is large variability in the number of
|
|
# refit necessary to converge due to the complete randomness of the
|
|
# data
|
|
for _ in range(1000):
|
|
h.fit(X)
|
|
if h.converged_:
|
|
break
|
|
assert h.converged_
|
|
|
|
|
|
@ignore_warnings(category=ConvergenceWarning)
|
|
def test_convergence_detected_with_warm_start():
|
|
# We check that convergence is detected when warm_start=True
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X["full"]
|
|
|
|
for max_iter in (1, 2, 50):
|
|
gmm = GaussianMixture(
|
|
n_components=n_components,
|
|
warm_start=True,
|
|
max_iter=max_iter,
|
|
random_state=rng,
|
|
)
|
|
for _ in range(100):
|
|
gmm.fit(X)
|
|
if gmm.converged_:
|
|
break
|
|
assert gmm.converged_
|
|
assert max_iter >= gmm.n_iter_
|
|
|
|
|
|
def test_score():
|
|
covar_type = "full"
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=7)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X[covar_type]
|
|
|
|
# Check the error message if we don't call fit
|
|
gmm1 = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
max_iter=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
msg = (
|
|
"This GaussianMixture instance is not fitted yet. Call 'fit' with "
|
|
"appropriate arguments before using this estimator."
|
|
)
|
|
with pytest.raises(NotFittedError, match=msg):
|
|
gmm1.score(X)
|
|
|
|
# Check score value
|
|
with warnings.catch_warnings():
|
|
warnings.simplefilter("ignore", ConvergenceWarning)
|
|
gmm1.fit(X)
|
|
gmm_score = gmm1.score(X)
|
|
gmm_score_proba = gmm1.score_samples(X).mean()
|
|
assert_almost_equal(gmm_score, gmm_score_proba)
|
|
|
|
# Check if the score increase
|
|
gmm2 = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
).fit(X)
|
|
assert gmm2.score(X) > gmm1.score(X)
|
|
|
|
|
|
def test_score_samples():
|
|
covar_type = "full"
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=7)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X[covar_type]
|
|
|
|
# Check the error message if we don't call fit
|
|
gmm = GaussianMixture(
|
|
n_components=n_components,
|
|
n_init=1,
|
|
reg_covar=0,
|
|
random_state=rng,
|
|
covariance_type=covar_type,
|
|
)
|
|
msg = (
|
|
"This GaussianMixture instance is not fitted yet. Call 'fit' with "
|
|
"appropriate arguments before using this estimator."
|
|
)
|
|
with pytest.raises(NotFittedError, match=msg):
|
|
gmm.score_samples(X)
|
|
|
|
gmm_score_samples = gmm.fit(X).score_samples(X)
|
|
assert gmm_score_samples.shape[0] == rand_data.n_samples
|
|
|
|
|
|
def test_monotonic_likelihood():
|
|
# We check that each step of the EM without regularization improve
|
|
# monotonically the training set likelihood
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=7)
|
|
n_components = rand_data.n_components
|
|
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
gmm = GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=covar_type,
|
|
reg_covar=0,
|
|
warm_start=True,
|
|
max_iter=1,
|
|
random_state=rng,
|
|
tol=1e-7,
|
|
)
|
|
current_log_likelihood = -np.inf
|
|
with warnings.catch_warnings():
|
|
warnings.simplefilter("ignore", ConvergenceWarning)
|
|
# Do one training iteration at a time so we can make sure that the
|
|
# training log likelihood increases after each iteration.
|
|
for _ in range(600):
|
|
prev_log_likelihood = current_log_likelihood
|
|
current_log_likelihood = gmm.fit(X).score(X)
|
|
assert current_log_likelihood >= prev_log_likelihood
|
|
|
|
if gmm.converged_:
|
|
break
|
|
|
|
assert gmm.converged_
|
|
|
|
|
|
def test_regularisation():
|
|
# We train the GaussianMixture on degenerate data by defining two clusters
|
|
# of a 0 covariance.
|
|
rng = np.random.RandomState(0)
|
|
n_samples, n_features = 10, 5
|
|
|
|
X = np.vstack(
|
|
(np.ones((n_samples // 2, n_features)), np.zeros((n_samples // 2, n_features)))
|
|
)
|
|
|
|
for covar_type in COVARIANCE_TYPE:
|
|
gmm = GaussianMixture(
|
|
n_components=n_samples,
|
|
reg_covar=0,
|
|
covariance_type=covar_type,
|
|
random_state=rng,
|
|
)
|
|
|
|
with warnings.catch_warnings():
|
|
warnings.simplefilter("ignore", RuntimeWarning)
|
|
msg = re.escape(
|
|
"Fitting the mixture model failed because some components have"
|
|
" ill-defined empirical covariance (for instance caused by "
|
|
"singleton or collapsed samples). Try to decrease the number "
|
|
"of components, or increase reg_covar."
|
|
)
|
|
with pytest.raises(ValueError, match=msg):
|
|
gmm.fit(X)
|
|
|
|
gmm.set_params(reg_covar=1e-6).fit(X)
|
|
|
|
|
|
def test_property():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=7)
|
|
n_components = rand_data.n_components
|
|
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
gmm = GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=covar_type,
|
|
random_state=rng,
|
|
n_init=5,
|
|
)
|
|
gmm.fit(X)
|
|
if covar_type == "full":
|
|
for prec, covar in zip(gmm.precisions_, gmm.covariances_):
|
|
assert_array_almost_equal(linalg.inv(prec), covar)
|
|
elif covar_type == "tied":
|
|
assert_array_almost_equal(linalg.inv(gmm.precisions_), gmm.covariances_)
|
|
else:
|
|
assert_array_almost_equal(gmm.precisions_, 1.0 / gmm.covariances_)
|
|
|
|
|
|
def test_sample():
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=7, n_components=3)
|
|
n_features, n_components = rand_data.n_features, rand_data.n_components
|
|
|
|
for covar_type in COVARIANCE_TYPE:
|
|
X = rand_data.X[covar_type]
|
|
|
|
gmm = GaussianMixture(
|
|
n_components=n_components, covariance_type=covar_type, random_state=rng
|
|
)
|
|
# To sample we need that GaussianMixture is fitted
|
|
msg = "This GaussianMixture instance is not fitted"
|
|
with pytest.raises(NotFittedError, match=msg):
|
|
gmm.sample(0)
|
|
gmm.fit(X)
|
|
|
|
msg = "Invalid value for 'n_samples'"
|
|
with pytest.raises(ValueError, match=msg):
|
|
gmm.sample(0)
|
|
|
|
# Just to make sure the class samples correctly
|
|
n_samples = 20000
|
|
X_s, y_s = gmm.sample(n_samples)
|
|
|
|
for k in range(n_components):
|
|
if covar_type == "full":
|
|
assert_array_almost_equal(
|
|
gmm.covariances_[k], np.cov(X_s[y_s == k].T), decimal=1
|
|
)
|
|
elif covar_type == "tied":
|
|
assert_array_almost_equal(
|
|
gmm.covariances_, np.cov(X_s[y_s == k].T), decimal=1
|
|
)
|
|
elif covar_type == "diag":
|
|
assert_array_almost_equal(
|
|
gmm.covariances_[k], np.diag(np.cov(X_s[y_s == k].T)), decimal=1
|
|
)
|
|
else:
|
|
assert_array_almost_equal(
|
|
gmm.covariances_[k],
|
|
np.var(X_s[y_s == k] - gmm.means_[k]),
|
|
decimal=1,
|
|
)
|
|
|
|
means_s = np.array([np.mean(X_s[y_s == k], 0) for k in range(n_components)])
|
|
assert_array_almost_equal(gmm.means_, means_s, decimal=1)
|
|
|
|
# Check shapes of sampled data, see
|
|
# https://github.com/scikit-learn/scikit-learn/issues/7701
|
|
assert X_s.shape == (n_samples, n_features)
|
|
|
|
for sample_size in range(1, 100):
|
|
X_s, _ = gmm.sample(sample_size)
|
|
assert X_s.shape == (sample_size, n_features)
|
|
|
|
|
|
@ignore_warnings(category=ConvergenceWarning)
|
|
def test_init():
|
|
# We check that by increasing the n_init number we have a better solution
|
|
for random_state in range(15):
|
|
rand_data = RandomData(
|
|
np.random.RandomState(random_state), n_samples=50, scale=1
|
|
)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X["full"]
|
|
|
|
gmm1 = GaussianMixture(
|
|
n_components=n_components, n_init=1, max_iter=1, random_state=random_state
|
|
).fit(X)
|
|
gmm2 = GaussianMixture(
|
|
n_components=n_components, n_init=10, max_iter=1, random_state=random_state
|
|
).fit(X)
|
|
|
|
assert gmm2.lower_bound_ >= gmm1.lower_bound_
|
|
|
|
|
|
def test_gaussian_mixture_setting_best_params():
|
|
"""`GaussianMixture`'s best_parameters, `n_iter_` and `lower_bound_`
|
|
must be set appropriately in the case of divergence.
|
|
|
|
Non-regression test for:
|
|
https://github.com/scikit-learn/scikit-learn/issues/18216
|
|
"""
|
|
rnd = np.random.RandomState(0)
|
|
n_samples = 30
|
|
X = rnd.uniform(size=(n_samples, 3))
|
|
|
|
# following initialization parameters were found to lead to divergence
|
|
means_init = np.array(
|
|
[
|
|
[0.670637869618158, 0.21038256107384043, 0.12892629765485303],
|
|
[0.09394051075844147, 0.5759464955561779, 0.929296197576212],
|
|
[0.5033230372781258, 0.9569852381759425, 0.08654043447295741],
|
|
[0.18578301420435747, 0.5531158970919143, 0.19388943970532435],
|
|
[0.4548589928173794, 0.35182513658825276, 0.568146063202464],
|
|
[0.609279894978321, 0.7929063819678847, 0.9620097270828052],
|
|
]
|
|
)
|
|
precisions_init = np.array(
|
|
[
|
|
999999.999604483,
|
|
999999.9990869573,
|
|
553.7603944542167,
|
|
204.78596008931834,
|
|
15.867423501783637,
|
|
85.4595728389735,
|
|
]
|
|
)
|
|
weights_init = [
|
|
0.03333333333333341,
|
|
0.03333333333333341,
|
|
0.06666666666666674,
|
|
0.06666666666666674,
|
|
0.7000000000000001,
|
|
0.10000000000000007,
|
|
]
|
|
|
|
gmm = GaussianMixture(
|
|
covariance_type="spherical",
|
|
reg_covar=0,
|
|
means_init=means_init,
|
|
weights_init=weights_init,
|
|
random_state=rnd,
|
|
n_components=len(weights_init),
|
|
precisions_init=precisions_init,
|
|
max_iter=1,
|
|
)
|
|
# ensure that no error is thrown during fit
|
|
gmm.fit(X)
|
|
|
|
# check that the fit did not converge
|
|
assert not gmm.converged_
|
|
|
|
# check that parameters are set for gmm
|
|
for attr in [
|
|
"weights_",
|
|
"means_",
|
|
"covariances_",
|
|
"precisions_cholesky_",
|
|
"n_iter_",
|
|
"lower_bound_",
|
|
]:
|
|
assert hasattr(gmm, attr)
|
|
|
|
|
|
@pytest.mark.parametrize(
|
|
"init_params", ["random", "random_from_data", "k-means++", "kmeans"]
|
|
)
|
|
def test_init_means_not_duplicated(init_params, global_random_seed):
|
|
# Check that all initialisations provide not duplicated starting means
|
|
rng = np.random.RandomState(global_random_seed)
|
|
rand_data = RandomData(rng, scale=5)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X["full"]
|
|
|
|
gmm = GaussianMixture(
|
|
n_components=n_components, init_params=init_params, random_state=rng, max_iter=0
|
|
)
|
|
gmm.fit(X)
|
|
|
|
means = gmm.means_
|
|
for i_mean, j_mean in itertools.combinations(means, r=2):
|
|
assert not np.allclose(i_mean, j_mean)
|
|
|
|
|
|
@pytest.mark.parametrize(
|
|
"init_params", ["random", "random_from_data", "k-means++", "kmeans"]
|
|
)
|
|
def test_means_for_all_inits(init_params, global_random_seed):
|
|
# Check fitted means properties for all initializations
|
|
rng = np.random.RandomState(global_random_seed)
|
|
rand_data = RandomData(rng, scale=5)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X["full"]
|
|
|
|
gmm = GaussianMixture(
|
|
n_components=n_components, init_params=init_params, random_state=rng
|
|
)
|
|
gmm.fit(X)
|
|
|
|
assert gmm.means_.shape == (n_components, X.shape[1])
|
|
assert np.all(X.min(axis=0) <= gmm.means_)
|
|
assert np.all(gmm.means_ <= X.max(axis=0))
|
|
assert gmm.converged_
|
|
|
|
|
|
def test_max_iter_zero():
|
|
# Check that max_iter=0 returns initialisation as expected
|
|
# Pick arbitrary initial means and check equal to max_iter=0
|
|
rng = np.random.RandomState(0)
|
|
rand_data = RandomData(rng, scale=5)
|
|
n_components = rand_data.n_components
|
|
X = rand_data.X["full"]
|
|
means_init = [[20, 30], [30, 25]]
|
|
gmm = GaussianMixture(
|
|
n_components=n_components,
|
|
random_state=rng,
|
|
means_init=means_init,
|
|
tol=1e-06,
|
|
max_iter=0,
|
|
)
|
|
gmm.fit(X)
|
|
|
|
assert_allclose(gmm.means_, means_init)
|
|
|
|
|
|
def test_gaussian_mixture_precisions_init_diag():
|
|
"""Check that we properly initialize `precision_cholesky_` when we manually
|
|
provide the precision matrix.
|
|
|
|
In this regard, we check the consistency between estimating the precision
|
|
matrix and providing the same precision matrix as initialization. It should
|
|
lead to the same results with the same number of iterations.
|
|
|
|
If the initialization is wrong then the number of iterations will increase.
|
|
|
|
Non-regression test for:
|
|
https://github.com/scikit-learn/scikit-learn/issues/16944
|
|
"""
|
|
# generate a toy dataset
|
|
n_samples = 300
|
|
rng = np.random.RandomState(0)
|
|
shifted_gaussian = rng.randn(n_samples, 2) + np.array([20, 20])
|
|
C = np.array([[0.0, -0.7], [3.5, 0.7]])
|
|
stretched_gaussian = np.dot(rng.randn(n_samples, 2), C)
|
|
X = np.vstack([shifted_gaussian, stretched_gaussian])
|
|
|
|
# common parameters to check the consistency of precision initialization
|
|
n_components, covariance_type, reg_covar, random_state = 2, "diag", 1e-6, 0
|
|
|
|
# execute the manual initialization to compute the precision matrix:
|
|
# - run KMeans to have an initial guess
|
|
# - estimate the covariance
|
|
# - compute the precision matrix from the estimated covariance
|
|
resp = np.zeros((X.shape[0], n_components))
|
|
label = (
|
|
KMeans(n_clusters=n_components, n_init=1, random_state=random_state)
|
|
.fit(X)
|
|
.labels_
|
|
)
|
|
resp[np.arange(X.shape[0]), label] = 1
|
|
_, _, covariance = _estimate_gaussian_parameters(
|
|
X, resp, reg_covar=reg_covar, covariance_type=covariance_type
|
|
)
|
|
precisions_init = 1 / covariance
|
|
|
|
gm_with_init = GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=covariance_type,
|
|
reg_covar=reg_covar,
|
|
precisions_init=precisions_init,
|
|
random_state=random_state,
|
|
).fit(X)
|
|
|
|
gm_without_init = GaussianMixture(
|
|
n_components=n_components,
|
|
covariance_type=covariance_type,
|
|
reg_covar=reg_covar,
|
|
random_state=random_state,
|
|
).fit(X)
|
|
|
|
assert gm_without_init.n_iter_ == gm_with_init.n_iter_
|
|
assert_allclose(
|
|
gm_with_init.precisions_cholesky_, gm_without_init.precisions_cholesky_
|
|
)
|
|
|
|
|
|
def _generate_data(seed, n_samples, n_features, n_components):
|
|
"""Randomly generate samples and responsibilities."""
|
|
rs = np.random.RandomState(seed)
|
|
X = rs.random_sample((n_samples, n_features))
|
|
resp = rs.random_sample((n_samples, n_components))
|
|
resp /= resp.sum(axis=1)[:, np.newaxis]
|
|
return X, resp
|
|
|
|
|
|
def _calculate_precisions(X, resp, covariance_type):
|
|
"""Calculate precision matrix of X and its Cholesky decomposition
|
|
for the given covariance type.
|
|
"""
|
|
reg_covar = 1e-6
|
|
weights, means, covariances = _estimate_gaussian_parameters(
|
|
X, resp, reg_covar, covariance_type
|
|
)
|
|
precisions_cholesky = _compute_precision_cholesky(covariances, covariance_type)
|
|
|
|
_, n_components = resp.shape
|
|
# Instantiate a `GaussianMixture` model in order to use its
|
|
# `_set_parameters` method to return the `precisions_` and
|
|
# `precisions_cholesky_` from matching the `covariance_type`
|
|
# provided.
|
|
gmm = GaussianMixture(n_components=n_components, covariance_type=covariance_type)
|
|
params = (weights, means, covariances, precisions_cholesky)
|
|
gmm._set_parameters(params)
|
|
return gmm.precisions_, gmm.precisions_cholesky_
|
|
|
|
|
|
@pytest.mark.parametrize("covariance_type", COVARIANCE_TYPE)
|
|
def test_gaussian_mixture_precisions_init(covariance_type, global_random_seed):
|
|
"""Non-regression test for #26415."""
|
|
|
|
X, resp = _generate_data(
|
|
seed=global_random_seed,
|
|
n_samples=100,
|
|
n_features=3,
|
|
n_components=4,
|
|
)
|
|
|
|
precisions_init, desired_precisions_cholesky = _calculate_precisions(
|
|
X, resp, covariance_type
|
|
)
|
|
gmm = GaussianMixture(
|
|
covariance_type=covariance_type, precisions_init=precisions_init
|
|
)
|
|
gmm._initialize(X, resp)
|
|
actual_precisions_cholesky = gmm.precisions_cholesky_
|
|
assert_allclose(actual_precisions_cholesky, desired_precisions_cholesky)
|
|
|
|
|
|
def test_gaussian_mixture_single_component_stable():
|
|
"""
|
|
Non-regression test for #23032 ensuring 1-component GM works on only a
|
|
few samples.
|
|
"""
|
|
rng = np.random.RandomState(0)
|
|
X = rng.multivariate_normal(np.zeros(2), np.identity(2), size=3)
|
|
gm = GaussianMixture(n_components=1)
|
|
gm.fit(X).sample()
|
|
|
|
|
|
def test_gaussian_mixture_all_init_does_not_estimate_gaussian_parameters(
|
|
monkeypatch,
|
|
global_random_seed,
|
|
):
|
|
"""When all init parameters are provided, the Gaussian parameters
|
|
are not estimated.
|
|
|
|
Non-regression test for gh-26015.
|
|
"""
|
|
|
|
mock = Mock(side_effect=_estimate_gaussian_parameters)
|
|
monkeypatch.setattr(
|
|
sklearn.mixture._gaussian_mixture, "_estimate_gaussian_parameters", mock
|
|
)
|
|
|
|
rng = np.random.RandomState(global_random_seed)
|
|
rand_data = RandomData(rng)
|
|
|
|
gm = GaussianMixture(
|
|
n_components=rand_data.n_components,
|
|
weights_init=rand_data.weights,
|
|
means_init=rand_data.means,
|
|
precisions_init=rand_data.precisions["full"],
|
|
random_state=rng,
|
|
)
|
|
gm.fit(rand_data.X["full"])
|
|
# The initial gaussian parameters are not estimated. They are estimated for every
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# m_step.
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assert mock.call_count == gm.n_iter_
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