# Author: Alexandre Gramfort # Fabian Pedregosa # # License: BSD 3 clause import pytest import numpy as np from scipy import sparse from scipy import linalg from sklearn.utils._testing import assert_array_almost_equal from sklearn.utils._testing import assert_array_equal from sklearn.utils._testing import assert_almost_equal from sklearn.utils._testing import assert_allclose from sklearn.utils import check_random_state from sklearn.utils.fixes import parse_version from sklearn.linear_model import LinearRegression from sklearn.linear_model._base import _preprocess_data from sklearn.linear_model._base import _rescale_data from sklearn.linear_model._base import make_dataset from sklearn.datasets import make_sparse_uncorrelated from sklearn.datasets import make_regression from sklearn.datasets import load_iris rng = np.random.RandomState(0) rtol = 1e-6 def test_linear_regression(): # Test LinearRegression on a simple dataset. # a simple dataset X = [[1], [2]] Y = [1, 2] reg = LinearRegression() reg.fit(X, Y) assert_array_almost_equal(reg.coef_, [1]) assert_array_almost_equal(reg.intercept_, [0]) assert_array_almost_equal(reg.predict(X), [1, 2]) # test it also for degenerate input X = [[1]] Y = [0] reg = LinearRegression() reg.fit(X, Y) assert_array_almost_equal(reg.coef_, [0]) assert_array_almost_equal(reg.intercept_, [0]) assert_array_almost_equal(reg.predict(X), [0]) def test_linear_regression_sample_weights(): # TODO: loop over sparse data as well rng = np.random.RandomState(0) # It would not work with under-determined systems for n_samples, n_features in ((6, 5), ): y = rng.randn(n_samples) X = rng.randn(n_samples, n_features) sample_weight = 1.0 + rng.rand(n_samples) for intercept in (True, False): # LinearRegression with explicit sample_weight reg = LinearRegression(fit_intercept=intercept) reg.fit(X, y, sample_weight=sample_weight) coefs1 = reg.coef_ inter1 = reg.intercept_ assert reg.coef_.shape == (X.shape[1], ) # sanity checks assert reg.score(X, y) > 0.5 # Closed form of the weighted least square # theta = (X^T W X)^(-1) * X^T W y W = np.diag(sample_weight) if intercept is False: X_aug = X else: dummy_column = np.ones(shape=(n_samples, 1)) X_aug = np.concatenate((dummy_column, X), axis=1) coefs2 = linalg.solve(X_aug.T.dot(W).dot(X_aug), X_aug.T.dot(W).dot(y)) if intercept is False: assert_array_almost_equal(coefs1, coefs2) else: assert_array_almost_equal(coefs1, coefs2[1:]) assert_almost_equal(inter1, coefs2[0]) def test_raises_value_error_if_positive_and_sparse(): error_msg = ('A sparse matrix was passed, ' 'but dense data is required.') # X must not be sparse if positive == True X = sparse.eye(10) y = np.ones(10) reg = LinearRegression(positive=True) with pytest.raises(TypeError, match=error_msg): reg.fit(X, y) def test_raises_value_error_if_sample_weights_greater_than_1d(): # Sample weights must be either scalar or 1D n_sampless = [2, 3] n_featuress = [3, 2] for n_samples, n_features in zip(n_sampless, n_featuress): X = rng.randn(n_samples, n_features) y = rng.randn(n_samples) sample_weights_OK = rng.randn(n_samples) ** 2 + 1 sample_weights_OK_1 = 1. sample_weights_OK_2 = 2. reg = LinearRegression() # make sure the "OK" sample weights actually work reg.fit(X, y, sample_weights_OK) reg.fit(X, y, sample_weights_OK_1) reg.fit(X, y, sample_weights_OK_2) def test_fit_intercept(): # Test assertions on betas shape. X2 = np.array([[0.38349978, 0.61650022], [0.58853682, 0.41146318]]) X3 = np.array([[0.27677969, 0.70693172, 0.01628859], [0.08385139, 0.20692515, 0.70922346]]) y = np.array([1, 1]) lr2_without_intercept = LinearRegression(fit_intercept=False).fit(X2, y) lr2_with_intercept = LinearRegression().fit(X2, y) lr3_without_intercept = LinearRegression(fit_intercept=False).fit(X3, y) lr3_with_intercept = LinearRegression().fit(X3, y) assert (lr2_with_intercept.coef_.shape == lr2_without_intercept.coef_.shape) assert (lr3_with_intercept.coef_.shape == lr3_without_intercept.coef_.shape) assert (lr2_without_intercept.coef_.ndim == lr3_without_intercept.coef_.ndim) def test_linear_regression_sparse(random_state=0): # Test that linear regression also works with sparse data random_state = check_random_state(random_state) for i in range(10): n = 100 X = sparse.eye(n, n) beta = random_state.rand(n) y = X * beta[:, np.newaxis] ols = LinearRegression() ols.fit(X, y.ravel()) assert_array_almost_equal(beta, ols.coef_ + ols.intercept_) assert_array_almost_equal(ols.predict(X) - y.ravel(), 0) @pytest.mark.parametrize('normalize', [True, False]) @pytest.mark.parametrize('fit_intercept', [True, False]) def test_linear_regression_sparse_equal_dense(normalize, fit_intercept): # Test that linear regression agrees between sparse and dense rng = check_random_state(0) n_samples = 200 n_features = 2 X = rng.randn(n_samples, n_features) X[X < 0.1] = 0. Xcsr = sparse.csr_matrix(X) y = rng.rand(n_samples) params = dict(normalize=normalize, fit_intercept=fit_intercept) clf_dense = LinearRegression(**params) clf_sparse = LinearRegression(**params) clf_dense.fit(X, y) clf_sparse.fit(Xcsr, y) assert clf_dense.intercept_ == pytest.approx(clf_sparse.intercept_) assert_allclose(clf_dense.coef_, clf_sparse.coef_) def test_linear_regression_multiple_outcome(random_state=0): # Test multiple-outcome linear regressions X, y = make_regression(random_state=random_state) Y = np.vstack((y, y)).T n_features = X.shape[1] reg = LinearRegression() reg.fit((X), Y) assert reg.coef_.shape == (2, n_features) Y_pred = reg.predict(X) reg.fit(X, y) y_pred = reg.predict(X) assert_array_almost_equal(np.vstack((y_pred, y_pred)).T, Y_pred, decimal=3) def test_linear_regression_sparse_multiple_outcome(random_state=0): # Test multiple-outcome linear regressions with sparse data random_state = check_random_state(random_state) X, y = make_sparse_uncorrelated(random_state=random_state) X = sparse.coo_matrix(X) Y = np.vstack((y, y)).T n_features = X.shape[1] ols = LinearRegression() ols.fit(X, Y) assert ols.coef_.shape == (2, n_features) Y_pred = ols.predict(X) ols.fit(X, y.ravel()) y_pred = ols.predict(X) assert_array_almost_equal(np.vstack((y_pred, y_pred)).T, Y_pred, decimal=3) def test_linear_regression_positive(): # Test nonnegative LinearRegression on a simple dataset. X = [[1], [2]] y = [1, 2] reg = LinearRegression(positive=True) reg.fit(X, y) assert_array_almost_equal(reg.coef_, [1]) assert_array_almost_equal(reg.intercept_, [0]) assert_array_almost_equal(reg.predict(X), [1, 2]) # test it also for degenerate input X = [[1]] y = [0] reg = LinearRegression(positive=True) reg.fit(X, y) assert_allclose(reg.coef_, [0]) assert_allclose(reg.intercept_, [0]) assert_allclose(reg.predict(X), [0]) def test_linear_regression_positive_multiple_outcome(random_state=0): # Test multiple-outcome nonnegative linear regressions random_state = check_random_state(random_state) X, y = make_sparse_uncorrelated(random_state=random_state) Y = np.vstack((y, y)).T n_features = X.shape[1] ols = LinearRegression(positive=True) ols.fit(X, Y) assert ols.coef_.shape == (2, n_features) assert np.all(ols.coef_ >= 0.) Y_pred = ols.predict(X) ols.fit(X, y.ravel()) y_pred = ols.predict(X) assert_allclose(np.vstack((y_pred, y_pred)).T, Y_pred) def test_linear_regression_positive_vs_nonpositive(): # Test differences with LinearRegression when positive=False. X, y = make_sparse_uncorrelated(random_state=0) reg = LinearRegression(positive=True) reg.fit(X, y) regn = LinearRegression(positive=False) regn.fit(X, y) assert np.mean((reg.coef_ - regn.coef_)**2) > 1e-3 def test_linear_regression_positive_vs_nonpositive_when_positive(): # Test LinearRegression fitted coefficients # when the problem is positive. n_samples = 200 n_features = 4 X = rng.rand(n_samples, n_features) y = X[:, 0] + 2 * X[:, 1] + 3 * X[:, 2] + 1.5 * X[:, 3] reg = LinearRegression(positive=True) reg.fit(X, y) regn = LinearRegression(positive=False) regn.fit(X, y) assert np.mean((reg.coef_ - regn.coef_)**2) < 1e-6 def test_linear_regression_pd_sparse_dataframe_warning(): pd = pytest.importorskip('pandas') # restrict the pd versions < '0.24.0' as they have a bug in is_sparse func if parse_version(pd.__version__) < parse_version('0.24.0'): pytest.skip("pandas 0.24+ required.") # Warning is raised only when some of the columns is sparse df = pd.DataFrame({'0': np.random.randn(10)}) for col in range(1, 4): arr = np.random.randn(10) arr[:8] = 0 # all columns but the first column is sparse if col != 0: arr = pd.arrays.SparseArray(arr, fill_value=0) df[str(col)] = arr msg = "pandas.DataFrame with sparse columns found." with pytest.warns(UserWarning, match=msg): reg = LinearRegression() reg.fit(df.iloc[:, 0:2], df.iloc[:, 3]) # does not warn when the whole dataframe is sparse df['0'] = pd.arrays.SparseArray(df['0'], fill_value=0) assert hasattr(df, "sparse") with pytest.warns(None) as record: reg.fit(df.iloc[:, 0:2], df.iloc[:, 3]) assert not record def test_preprocess_data(): n_samples = 200 n_features = 2 X = rng.rand(n_samples, n_features) y = rng.rand(n_samples) expected_X_mean = np.mean(X, axis=0) expected_X_norm = np.std(X, axis=0) * np.sqrt(X.shape[0]) expected_y_mean = np.mean(y, axis=0) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=False, normalize=False) assert_array_almost_equal(X_mean, np.zeros(n_features)) assert_array_almost_equal(y_mean, 0) assert_array_almost_equal(X_norm, np.ones(n_features)) assert_array_almost_equal(Xt, X) assert_array_almost_equal(yt, y) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=False) assert_array_almost_equal(X_mean, expected_X_mean) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(X_norm, np.ones(n_features)) assert_array_almost_equal(Xt, X - expected_X_mean) assert_array_almost_equal(yt, y - expected_y_mean) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=True) assert_array_almost_equal(X_mean, expected_X_mean) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(X_norm, expected_X_norm) assert_array_almost_equal(Xt, (X - expected_X_mean) / expected_X_norm) assert_array_almost_equal(yt, y - expected_y_mean) def test_preprocess_data_multioutput(): n_samples = 200 n_features = 3 n_outputs = 2 X = rng.rand(n_samples, n_features) y = rng.rand(n_samples, n_outputs) expected_y_mean = np.mean(y, axis=0) args = [X, sparse.csc_matrix(X)] for X in args: _, yt, _, y_mean, _ = _preprocess_data(X, y, fit_intercept=False, normalize=False) assert_array_almost_equal(y_mean, np.zeros(n_outputs)) assert_array_almost_equal(yt, y) _, yt, _, y_mean, _ = _preprocess_data(X, y, fit_intercept=True, normalize=False) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(yt, y - y_mean) _, yt, _, y_mean, _ = _preprocess_data(X, y, fit_intercept=True, normalize=True) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(yt, y - y_mean) def test_preprocess_data_weighted(): n_samples = 200 n_features = 2 X = rng.rand(n_samples, n_features) y = rng.rand(n_samples) sample_weight = rng.rand(n_samples) expected_X_mean = np.average(X, axis=0, weights=sample_weight) expected_y_mean = np.average(y, axis=0, weights=sample_weight) # XXX: if normalize=True, should we expect a weighted standard deviation? # Currently not weighted, but calculated with respect to weighted mean expected_X_norm = (np.sqrt(X.shape[0]) * np.mean((X - expected_X_mean) ** 2, axis=0) ** .5) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=False, sample_weight=sample_weight) assert_array_almost_equal(X_mean, expected_X_mean) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(X_norm, np.ones(n_features)) assert_array_almost_equal(Xt, X - expected_X_mean) assert_array_almost_equal(yt, y - expected_y_mean) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=True, sample_weight=sample_weight) assert_array_almost_equal(X_mean, expected_X_mean) assert_array_almost_equal(y_mean, expected_y_mean) assert_array_almost_equal(X_norm, expected_X_norm) assert_array_almost_equal(Xt, (X - expected_X_mean) / expected_X_norm) assert_array_almost_equal(yt, y - expected_y_mean) def test_sparse_preprocess_data_with_return_mean(): n_samples = 200 n_features = 2 # random_state not supported yet in sparse.rand X = sparse.rand(n_samples, n_features, density=.5) # , random_state=rng X = X.tolil() y = rng.rand(n_samples) XA = X.toarray() expected_X_norm = np.std(XA, axis=0) * np.sqrt(X.shape[0]) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=False, normalize=False, return_mean=True) assert_array_almost_equal(X_mean, np.zeros(n_features)) assert_array_almost_equal(y_mean, 0) assert_array_almost_equal(X_norm, np.ones(n_features)) assert_array_almost_equal(Xt.A, XA) assert_array_almost_equal(yt, y) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=False, return_mean=True) assert_array_almost_equal(X_mean, np.mean(XA, axis=0)) assert_array_almost_equal(y_mean, np.mean(y, axis=0)) assert_array_almost_equal(X_norm, np.ones(n_features)) assert_array_almost_equal(Xt.A, XA) assert_array_almost_equal(yt, y - np.mean(y, axis=0)) Xt, yt, X_mean, y_mean, X_norm = \ _preprocess_data(X, y, fit_intercept=True, normalize=True, return_mean=True) assert_array_almost_equal(X_mean, np.mean(XA, axis=0)) assert_array_almost_equal(y_mean, np.mean(y, axis=0)) assert_array_almost_equal(X_norm, expected_X_norm) assert_array_almost_equal(Xt.A, XA / expected_X_norm) assert_array_almost_equal(yt, y - np.mean(y, axis=0)) def test_csr_preprocess_data(): # Test output format of _preprocess_data, when input is csr X, y = make_regression() X[X < 2.5] = 0.0 csr = sparse.csr_matrix(X) csr_, y, _, _, _ = _preprocess_data(csr, y, True) assert csr_.getformat() == 'csr' @pytest.mark.parametrize('is_sparse', (True, False)) @pytest.mark.parametrize('to_copy', (True, False)) def test_preprocess_copy_data_no_checks(is_sparse, to_copy): X, y = make_regression() X[X < 2.5] = 0.0 if is_sparse: X = sparse.csr_matrix(X) X_, y_, _, _, _ = _preprocess_data(X, y, True, copy=to_copy, check_input=False) if to_copy and is_sparse: assert not np.may_share_memory(X_.data, X.data) elif to_copy: assert not np.may_share_memory(X_, X) elif is_sparse: assert np.may_share_memory(X_.data, X.data) else: assert np.may_share_memory(X_, X) def test_dtype_preprocess_data(): n_samples = 200 n_features = 2 X = rng.rand(n_samples, n_features) y = rng.rand(n_samples) X_32 = np.asarray(X, dtype=np.float32) y_32 = np.asarray(y, dtype=np.float32) X_64 = np.asarray(X, dtype=np.float64) y_64 = np.asarray(y, dtype=np.float64) for fit_intercept in [True, False]: for normalize in [True, False]: Xt_32, yt_32, X_mean_32, y_mean_32, X_norm_32 = _preprocess_data( X_32, y_32, fit_intercept=fit_intercept, normalize=normalize, return_mean=True) Xt_64, yt_64, X_mean_64, y_mean_64, X_norm_64 = _preprocess_data( X_64, y_64, fit_intercept=fit_intercept, normalize=normalize, return_mean=True) Xt_3264, yt_3264, X_mean_3264, y_mean_3264, X_norm_3264 = ( _preprocess_data(X_32, y_64, fit_intercept=fit_intercept, normalize=normalize, return_mean=True)) Xt_6432, yt_6432, X_mean_6432, y_mean_6432, X_norm_6432 = ( _preprocess_data(X_64, y_32, fit_intercept=fit_intercept, normalize=normalize, return_mean=True)) assert Xt_32.dtype == np.float32 assert yt_32.dtype == np.float32 assert X_mean_32.dtype == np.float32 assert y_mean_32.dtype == np.float32 assert X_norm_32.dtype == np.float32 assert Xt_64.dtype == np.float64 assert yt_64.dtype == np.float64 assert X_mean_64.dtype == np.float64 assert y_mean_64.dtype == np.float64 assert X_norm_64.dtype == np.float64 assert Xt_3264.dtype == np.float32 assert yt_3264.dtype == np.float32 assert X_mean_3264.dtype == np.float32 assert y_mean_3264.dtype == np.float32 assert X_norm_3264.dtype == np.float32 assert Xt_6432.dtype == np.float64 assert yt_6432.dtype == np.float64 assert X_mean_6432.dtype == np.float64 assert y_mean_6432.dtype == np.float64 assert X_norm_6432.dtype == np.float64 assert X_32.dtype == np.float32 assert y_32.dtype == np.float32 assert X_64.dtype == np.float64 assert y_64.dtype == np.float64 assert_array_almost_equal(Xt_32, Xt_64) assert_array_almost_equal(yt_32, yt_64) assert_array_almost_equal(X_mean_32, X_mean_64) assert_array_almost_equal(y_mean_32, y_mean_64) assert_array_almost_equal(X_norm_32, X_norm_64) @pytest.mark.parametrize('n_targets', [None, 2]) def test_rescale_data_dense(n_targets): n_samples = 200 n_features = 2 sample_weight = 1.0 + rng.rand(n_samples) X = rng.rand(n_samples, n_features) if n_targets is None: y = rng.rand(n_samples) else: y = rng.rand(n_samples, n_targets) rescaled_X, rescaled_y = _rescale_data(X, y, sample_weight) rescaled_X2 = X * np.sqrt(sample_weight)[:, np.newaxis] if n_targets is None: rescaled_y2 = y * np.sqrt(sample_weight) else: rescaled_y2 = y * np.sqrt(sample_weight)[:, np.newaxis] assert_array_almost_equal(rescaled_X, rescaled_X2) assert_array_almost_equal(rescaled_y, rescaled_y2) def test_fused_types_make_dataset(): iris = load_iris() X_32 = iris.data.astype(np.float32) y_32 = iris.target.astype(np.float32) X_csr_32 = sparse.csr_matrix(X_32) sample_weight_32 = np.arange(y_32.size, dtype=np.float32) X_64 = iris.data.astype(np.float64) y_64 = iris.target.astype(np.float64) X_csr_64 = sparse.csr_matrix(X_64) sample_weight_64 = np.arange(y_64.size, dtype=np.float64) # array dataset_32, _ = make_dataset(X_32, y_32, sample_weight_32) dataset_64, _ = make_dataset(X_64, y_64, sample_weight_64) xi_32, yi_32, _, _ = dataset_32._next_py() xi_64, yi_64, _, _ = dataset_64._next_py() xi_data_32, _, _ = xi_32 xi_data_64, _, _ = xi_64 assert xi_data_32.dtype == np.float32 assert xi_data_64.dtype == np.float64 assert_allclose(yi_64, yi_32, rtol=rtol) # csr datasetcsr_32, _ = make_dataset(X_csr_32, y_32, sample_weight_32) datasetcsr_64, _ = make_dataset(X_csr_64, y_64, sample_weight_64) xicsr_32, yicsr_32, _, _ = datasetcsr_32._next_py() xicsr_64, yicsr_64, _, _ = datasetcsr_64._next_py() xicsr_data_32, _, _ = xicsr_32 xicsr_data_64, _, _ = xicsr_64 assert xicsr_data_32.dtype == np.float32 assert xicsr_data_64.dtype == np.float64 assert_allclose(xicsr_data_64, xicsr_data_32, rtol=rtol) assert_allclose(yicsr_64, yicsr_32, rtol=rtol) assert_array_equal(xi_data_32, xicsr_data_32) assert_array_equal(xi_data_64, xicsr_data_64) assert_array_equal(yi_32, yicsr_32) assert_array_equal(yi_64, yicsr_64)