import numpy as np import pytest from sklearn import config_context from sklearn.impute import KNNImputer from sklearn.metrics.pairwise import nan_euclidean_distances, pairwise_distances from sklearn.neighbors import KNeighborsRegressor from sklearn.utils._testing import assert_allclose @pytest.mark.parametrize("weights", ["uniform", "distance"]) @pytest.mark.parametrize("n_neighbors", range(1, 6)) def test_knn_imputer_shape(weights, n_neighbors): # Verify the shapes of the imputed matrix for different weights and # number of neighbors. n_rows = 10 n_cols = 2 X = np.random.rand(n_rows, n_cols) X[0, 0] = np.nan imputer = KNNImputer(n_neighbors=n_neighbors, weights=weights) X_imputed = imputer.fit_transform(X) assert X_imputed.shape == (n_rows, n_cols) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_default_with_invalid_input(na): # Test imputation with default values and invalid input # Test with inf present X = np.array( [ [np.inf, 1, 1, 2, na], [2, 1, 2, 2, 3], [3, 2, 3, 3, 8], [na, 6, 0, 5, 13], [na, 7, 0, 7, 8], [6, 6, 2, 5, 7], ] ) with pytest.raises(ValueError, match="Input X contains (infinity|NaN)"): KNNImputer(missing_values=na).fit(X) # Test with inf present in matrix passed in transform() X = np.array( [ [np.inf, 1, 1, 2, na], [2, 1, 2, 2, 3], [3, 2, 3, 3, 8], [na, 6, 0, 5, 13], [na, 7, 0, 7, 8], [6, 6, 2, 5, 7], ] ) X_fit = np.array( [ [0, 1, 1, 2, na], [2, 1, 2, 2, 3], [3, 2, 3, 3, 8], [na, 6, 0, 5, 13], [na, 7, 0, 7, 8], [6, 6, 2, 5, 7], ] ) imputer = KNNImputer(missing_values=na).fit(X_fit) with pytest.raises(ValueError, match="Input X contains (infinity|NaN)"): imputer.transform(X) # Test with missing_values=0 when NaN present imputer = KNNImputer(missing_values=0, n_neighbors=2, weights="uniform") X = np.array( [ [np.nan, 0, 0, 0, 5], [np.nan, 1, 0, np.nan, 3], [np.nan, 2, 0, 0, 0], [np.nan, 6, 0, 5, 13], ] ) msg = "Input X contains NaN" with pytest.raises(ValueError, match=msg): imputer.fit(X) X = np.array( [ [0, 0], [np.nan, 2], ] ) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_removes_all_na_features(na): X = np.array( [ [1, 1, na, 1, 1, 1.0], [2, 3, na, 2, 2, 2], [3, 4, na, 3, 3, na], [6, 4, na, na, 6, 6], ] ) knn = KNNImputer(missing_values=na, n_neighbors=2).fit(X) X_transform = knn.transform(X) assert not np.isnan(X_transform).any() assert X_transform.shape == (4, 5) X_test = np.arange(0, 12).reshape(2, 6) X_transform = knn.transform(X_test) assert_allclose(X_test[:, [0, 1, 3, 4, 5]], X_transform) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_zero_nan_imputes_the_same(na): # Test with an imputable matrix and compare with different missing_values X_zero = np.array( [ [1, 0, 1, 1, 1.0], [2, 2, 2, 2, 2], [3, 3, 3, 3, 0], [6, 6, 0, 6, 6], ] ) X_nan = np.array( [ [1, na, 1, 1, 1.0], [2, 2, 2, 2, 2], [3, 3, 3, 3, na], [6, 6, na, 6, 6], ] ) X_imputed = np.array( [ [1, 2.5, 1, 1, 1.0], [2, 2, 2, 2, 2], [3, 3, 3, 3, 1.5], [6, 6, 2.5, 6, 6], ] ) imputer_zero = KNNImputer(missing_values=0, n_neighbors=2, weights="uniform") imputer_nan = KNNImputer(missing_values=na, n_neighbors=2, weights="uniform") assert_allclose(imputer_zero.fit_transform(X_zero), X_imputed) assert_allclose( imputer_zero.fit_transform(X_zero), imputer_nan.fit_transform(X_nan) ) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_verify(na): # Test with an imputable matrix X = np.array( [ [1, 0, 0, 1], [2, 1, 2, na], [3, 2, 3, na], [na, 4, 5, 5], [6, na, 6, 7], [8, 8, 8, 8], [16, 15, 18, 19], ] ) X_imputed = np.array( [ [1, 0, 0, 1], [2, 1, 2, 8], [3, 2, 3, 8], [4, 4, 5, 5], [6, 3, 6, 7], [8, 8, 8, 8], [16, 15, 18, 19], ] ) imputer = KNNImputer(missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) # Test when there is not enough neighbors X = np.array( [ [1, 0, 0, na], [2, 1, 2, na], [3, 2, 3, na], [4, 4, 5, na], [6, 7, 6, na], [8, 8, 8, na], [20, 20, 20, 20], [22, 22, 22, 22], ] ) # Not enough neighbors, use column mean from training X_impute_value = (20 + 22) / 2 X_imputed = np.array( [ [1, 0, 0, X_impute_value], [2, 1, 2, X_impute_value], [3, 2, 3, X_impute_value], [4, 4, 5, X_impute_value], [6, 7, 6, X_impute_value], [8, 8, 8, X_impute_value], [20, 20, 20, 20], [22, 22, 22, 22], ] ) imputer = KNNImputer(missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) # Test when data in fit() and transform() are different X = np.array([[0, 0], [na, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 16]]) X1 = np.array([[1, 0], [3, 2], [4, na]]) X_2_1 = (0 + 3 + 6 + 7 + 8) / 5 X1_imputed = np.array([[1, 0], [3, 2], [4, X_2_1]]) imputer = KNNImputer(missing_values=na) assert_allclose(imputer.fit(X).transform(X1), X1_imputed) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_one_n_neighbors(na): X = np.array([[0, 0], [na, 2], [4, 3], [5, na], [7, 7], [na, 8], [14, 13]]) X_imputed = np.array([[0, 0], [4, 2], [4, 3], [5, 3], [7, 7], [7, 8], [14, 13]]) imputer = KNNImputer(n_neighbors=1, missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_all_samples_are_neighbors(na): X = np.array([[0, 0], [na, 2], [4, 3], [5, na], [7, 7], [na, 8], [14, 13]]) X_imputed = np.array([[0, 0], [6, 2], [4, 3], [5, 5.5], [7, 7], [6, 8], [14, 13]]) n_neighbors = X.shape[0] - 1 imputer = KNNImputer(n_neighbors=n_neighbors, missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) n_neighbors = X.shape[0] imputer_plus1 = KNNImputer(n_neighbors=n_neighbors, missing_values=na) assert_allclose(imputer_plus1.fit_transform(X), X_imputed) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_weight_uniform(na): X = np.array([[0, 0], [na, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 10]]) # Test with "uniform" weight (or unweighted) X_imputed_uniform = np.array( [[0, 0], [5, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 10]] ) imputer = KNNImputer(weights="uniform", missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed_uniform) # Test with "callable" weight def no_weight(dist): return None imputer = KNNImputer(weights=no_weight, missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed_uniform) # Test with "callable" uniform weight def uniform_weight(dist): return np.ones_like(dist) imputer = KNNImputer(weights=uniform_weight, missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed_uniform) @pytest.mark.parametrize("na", [np.nan, -1]) def test_knn_imputer_weight_distance(na): X = np.array([[0, 0], [na, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 10]]) # Test with "distance" weight nn = KNeighborsRegressor(metric="euclidean", weights="distance") X_rows_idx = [0, 2, 3, 4, 5, 6] nn.fit(X[X_rows_idx, 1:], X[X_rows_idx, 0]) knn_imputed_value = nn.predict(X[1:2, 1:])[0] # Manual calculation X_neighbors_idx = [0, 2, 3, 4, 5] dist = nan_euclidean_distances(X[1:2, :], X, missing_values=na) weights = 1 / dist[:, X_neighbors_idx].ravel() manual_imputed_value = np.average(X[X_neighbors_idx, 0], weights=weights) X_imputed_distance1 = np.array( [[0, 0], [manual_imputed_value, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 10]] ) # NearestNeighbor calculation X_imputed_distance2 = np.array( [[0, 0], [knn_imputed_value, 2], [4, 3], [5, 6], [7, 7], [9, 8], [11, 10]] ) imputer = KNNImputer(weights="distance", missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed_distance1) assert_allclose(imputer.fit_transform(X), X_imputed_distance2) # Test with weights = "distance" and n_neighbors=2 X = np.array( [ [na, 0, 0], [2, 1, 2], [3, 2, 3], [4, 5, 5], ] ) # neighbors are rows 1, 2, the nan_euclidean_distances are: dist_0_1 = np.sqrt((3 / 2) * ((1 - 0) ** 2 + (2 - 0) ** 2)) dist_0_2 = np.sqrt((3 / 2) * ((2 - 0) ** 2 + (3 - 0) ** 2)) imputed_value = np.average([2, 3], weights=[1 / dist_0_1, 1 / dist_0_2]) X_imputed = np.array( [ [imputed_value, 0, 0], [2, 1, 2], [3, 2, 3], [4, 5, 5], ] ) imputer = KNNImputer(n_neighbors=2, weights="distance", missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) # Test with varying missingness patterns X = np.array( [ [1, 0, 0, 1], [0, na, 1, na], [1, 1, 1, na], [0, 1, 0, 0], [0, 0, 0, 0], [1, 0, 1, 1], [10, 10, 10, 10], ] ) # Get weights of donor neighbors dist = nan_euclidean_distances(X, missing_values=na) r1c1_nbor_dists = dist[1, [0, 2, 3, 4, 5]] r1c3_nbor_dists = dist[1, [0, 3, 4, 5, 6]] r1c1_nbor_wt = 1 / r1c1_nbor_dists r1c3_nbor_wt = 1 / r1c3_nbor_dists r2c3_nbor_dists = dist[2, [0, 3, 4, 5, 6]] r2c3_nbor_wt = 1 / r2c3_nbor_dists # Collect donor values col1_donor_values = np.ma.masked_invalid(X[[0, 2, 3, 4, 5], 1]).copy() col3_donor_values = np.ma.masked_invalid(X[[0, 3, 4, 5, 6], 3]).copy() # Final imputed values r1c1_imp = np.ma.average(col1_donor_values, weights=r1c1_nbor_wt) r1c3_imp = np.ma.average(col3_donor_values, weights=r1c3_nbor_wt) r2c3_imp = np.ma.average(col3_donor_values, weights=r2c3_nbor_wt) X_imputed = np.array( [ [1, 0, 0, 1], [0, r1c1_imp, 1, r1c3_imp], [1, 1, 1, r2c3_imp], [0, 1, 0, 0], [0, 0, 0, 0], [1, 0, 1, 1], [10, 10, 10, 10], ] ) imputer = KNNImputer(weights="distance", missing_values=na) assert_allclose(imputer.fit_transform(X), X_imputed) X = np.array( [ [0, 0, 0, na], [1, 1, 1, na], [2, 2, na, 2], [3, 3, 3, 3], [4, 4, 4, 4], [5, 5, 5, 5], [6, 6, 6, 6], [na, 7, 7, 7], ] ) dist = pairwise_distances( X, metric="nan_euclidean", squared=False, missing_values=na ) # Calculate weights r0c3_w = 1.0 / dist[0, 2:-1] r1c3_w = 1.0 / dist[1, 2:-1] r2c2_w = 1.0 / dist[2, (0, 1, 3, 4, 5)] r7c0_w = 1.0 / dist[7, 2:7] # Calculate weighted averages r0c3 = np.average(X[2:-1, -1], weights=r0c3_w) r1c3 = np.average(X[2:-1, -1], weights=r1c3_w) r2c2 = np.average(X[(0, 1, 3, 4, 5), 2], weights=r2c2_w) r7c0 = np.average(X[2:7, 0], weights=r7c0_w) X_imputed = np.array( [ [0, 0, 0, r0c3], [1, 1, 1, r1c3], [2, 2, r2c2, 2], [3, 3, 3, 3], [4, 4, 4, 4], [5, 5, 5, 5], [6, 6, 6, 6], [r7c0, 7, 7, 7], ] ) imputer_comp_wt = KNNImputer(missing_values=na, weights="distance") assert_allclose(imputer_comp_wt.fit_transform(X), X_imputed) def test_knn_imputer_callable_metric(): # Define callable metric that returns the l1 norm: def custom_callable(x, y, missing_values=np.nan, squared=False): x = np.ma.array(x, mask=np.isnan(x)) y = np.ma.array(y, mask=np.isnan(y)) dist = np.nansum(np.abs(x - y)) return dist X = np.array([[4, 3, 3, np.nan], [6, 9, 6, 9], [4, 8, 6, 9], [np.nan, 9, 11, 10.0]]) X_0_3 = (9 + 9) / 2 X_3_0 = (6 + 4) / 2 X_imputed = np.array( [[4, 3, 3, X_0_3], [6, 9, 6, 9], [4, 8, 6, 9], [X_3_0, 9, 11, 10.0]] ) imputer = KNNImputer(n_neighbors=2, metric=custom_callable) assert_allclose(imputer.fit_transform(X), X_imputed) @pytest.mark.parametrize("working_memory", [None, 0]) @pytest.mark.parametrize("na", [-1, np.nan]) # Note that we use working_memory=0 to ensure that chunking is tested, even # for a small dataset. However, it should raise a UserWarning that we ignore. @pytest.mark.filterwarnings("ignore:adhere to working_memory") def test_knn_imputer_with_simple_example(na, working_memory): X = np.array( [ [0, na, 0, na], [1, 1, 1, na], [2, 2, na, 2], [3, 3, 3, 3], [4, 4, 4, 4], [5, 5, 5, 5], [6, 6, 6, 6], [na, 7, 7, 7], ] ) r0c1 = np.mean(X[1:6, 1]) r0c3 = np.mean(X[2:-1, -1]) r1c3 = np.mean(X[2:-1, -1]) r2c2 = np.mean(X[[0, 1, 3, 4, 5], 2]) r7c0 = np.mean(X[2:-1, 0]) X_imputed = np.array( [ [0, r0c1, 0, r0c3], [1, 1, 1, r1c3], [2, 2, r2c2, 2], [3, 3, 3, 3], [4, 4, 4, 4], [5, 5, 5, 5], [6, 6, 6, 6], [r7c0, 7, 7, 7], ] ) with config_context(working_memory=working_memory): imputer_comp = KNNImputer(missing_values=na) assert_allclose(imputer_comp.fit_transform(X), X_imputed) @pytest.mark.parametrize("na", [-1, np.nan]) @pytest.mark.parametrize("weights", ["uniform", "distance"]) def test_knn_imputer_not_enough_valid_distances(na, weights): # Samples with needed feature has nan distance X1 = np.array([[na, 11], [na, 1], [3, na]]) X1_imputed = np.array([[3, 11], [3, 1], [3, 6]]) knn = KNNImputer(missing_values=na, n_neighbors=1, weights=weights) assert_allclose(knn.fit_transform(X1), X1_imputed) X2 = np.array([[4, na]]) X2_imputed = np.array([[4, 6]]) assert_allclose(knn.transform(X2), X2_imputed) @pytest.mark.parametrize("na", [-1, np.nan]) def test_knn_imputer_drops_all_nan_features(na): X1 = np.array([[na, 1], [na, 2]]) knn = KNNImputer(missing_values=na, n_neighbors=1) X1_expected = np.array([[1], [2]]) assert_allclose(knn.fit_transform(X1), X1_expected) X2 = np.array([[1, 2], [3, na]]) X2_expected = np.array([[2], [1.5]]) assert_allclose(knn.transform(X2), X2_expected) @pytest.mark.parametrize("working_memory", [None, 0]) @pytest.mark.parametrize("na", [-1, np.nan]) def test_knn_imputer_distance_weighted_not_enough_neighbors(na, working_memory): X = np.array([[3, na], [2, na], [na, 4], [5, 6], [6, 8], [na, 5]]) dist = pairwise_distances( X, metric="nan_euclidean", squared=False, missing_values=na ) X_01 = np.average(X[3:5, 1], weights=1 / dist[0, 3:5]) X_11 = np.average(X[3:5, 1], weights=1 / dist[1, 3:5]) X_20 = np.average(X[3:5, 0], weights=1 / dist[2, 3:5]) X_50 = np.average(X[3:5, 0], weights=1 / dist[5, 3:5]) X_expected = np.array([[3, X_01], [2, X_11], [X_20, 4], [5, 6], [6, 8], [X_50, 5]]) with config_context(working_memory=working_memory): knn_3 = KNNImputer(missing_values=na, n_neighbors=3, weights="distance") assert_allclose(knn_3.fit_transform(X), X_expected) knn_4 = KNNImputer(missing_values=na, n_neighbors=4, weights="distance") assert_allclose(knn_4.fit_transform(X), X_expected) @pytest.mark.parametrize("na, allow_nan", [(-1, False), (np.nan, True)]) def test_knn_tags(na, allow_nan): knn = KNNImputer(missing_values=na) assert knn._get_tags()["allow_nan"] == allow_nan