819 lines
25 KiB
Python
819 lines
25 KiB
Python
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import numpy as np
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import pytest
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from scipy import sparse
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from scipy.sparse import random as sparse_random
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from sklearn.utils._testing import assert_array_almost_equal
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from numpy.testing import assert_allclose, assert_array_equal
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from scipy.interpolate import BSpline
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from sklearn.linear_model import LinearRegression
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from sklearn.pipeline import Pipeline
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from sklearn.preprocessing import (
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KBinsDiscretizer,
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PolynomialFeatures,
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SplineTransformer,
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)
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@pytest.mark.parametrize("est", (PolynomialFeatures, SplineTransformer))
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def test_polynomial_and_spline_array_order(est):
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"""Test that output array has the given order."""
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X = np.arange(10).reshape(5, 2)
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def is_c_contiguous(a):
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return np.isfortran(a.T)
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assert is_c_contiguous(est().fit_transform(X))
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assert is_c_contiguous(est(order="C").fit_transform(X))
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assert np.isfortran(est(order="F").fit_transform(X))
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@pytest.mark.parametrize("extrapolation", ["continue", "periodic"])
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def test_spline_transformer_integer_knots(extrapolation):
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"""Test that SplineTransformer accepts integer value knot positions."""
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X = np.arange(20).reshape(10, 2)
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knots = [[0, 1], [1, 2], [5, 5], [11, 10], [12, 11]]
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_ = SplineTransformer(
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degree=3, knots=knots, extrapolation=extrapolation
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).fit_transform(X)
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def test_spline_transformer_feature_names():
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"""Test that SplineTransformer generates correct features name."""
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X = np.arange(20).reshape(10, 2)
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splt = SplineTransformer(n_knots=3, degree=3, include_bias=True).fit(X)
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feature_names = splt.get_feature_names_out()
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assert_array_equal(
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feature_names,
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[
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"x0_sp_0",
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"x0_sp_1",
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"x0_sp_2",
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"x0_sp_3",
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"x0_sp_4",
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"x1_sp_0",
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"x1_sp_1",
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"x1_sp_2",
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"x1_sp_3",
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"x1_sp_4",
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],
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)
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splt = SplineTransformer(n_knots=3, degree=3, include_bias=False).fit(X)
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feature_names = splt.get_feature_names_out(["a", "b"])
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assert_array_equal(
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feature_names,
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[
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"a_sp_0",
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"a_sp_1",
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"a_sp_2",
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"a_sp_3",
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"b_sp_0",
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"b_sp_1",
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"b_sp_2",
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"b_sp_3",
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],
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)
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@pytest.mark.parametrize(
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"extrapolation",
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["constant", "linear", "continue", "periodic"],
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)
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@pytest.mark.parametrize("degree", [2, 3])
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def test_split_transform_feature_names_extrapolation_degree(extrapolation, degree):
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"""Test feature names are correct for different extrapolations and degree.
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Non-regression test for gh-25292.
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"""
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X = np.arange(20).reshape(10, 2)
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splt = SplineTransformer(degree=degree, extrapolation=extrapolation).fit(X)
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feature_names = splt.get_feature_names_out(["a", "b"])
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assert len(feature_names) == splt.n_features_out_
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X_trans = splt.transform(X)
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assert X_trans.shape[1] == len(feature_names)
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@pytest.mark.parametrize("degree", range(1, 5))
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@pytest.mark.parametrize("n_knots", range(3, 5))
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@pytest.mark.parametrize("knots", ["uniform", "quantile"])
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@pytest.mark.parametrize("extrapolation", ["constant", "periodic"])
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def test_spline_transformer_unity_decomposition(degree, n_knots, knots, extrapolation):
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"""Test that B-splines are indeed a decomposition of unity.
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Splines basis functions must sum up to 1 per row, if we stay in between
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boundaries.
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"""
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X = np.linspace(0, 1, 100)[:, None]
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# make the boundaries 0 and 1 part of X_train, for sure.
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X_train = np.r_[[[0]], X[::2, :], [[1]]]
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X_test = X[1::2, :]
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if extrapolation == "periodic":
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n_knots = n_knots + degree # periodic splines require degree < n_knots
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splt = SplineTransformer(
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n_knots=n_knots,
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degree=degree,
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knots=knots,
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include_bias=True,
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extrapolation=extrapolation,
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)
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splt.fit(X_train)
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for X in [X_train, X_test]:
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assert_allclose(np.sum(splt.transform(X), axis=1), 1)
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@pytest.mark.parametrize(["bias", "intercept"], [(True, False), (False, True)])
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def test_spline_transformer_linear_regression(bias, intercept):
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"""Test that B-splines fit a sinusodial curve pretty well."""
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X = np.linspace(0, 10, 100)[:, None]
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y = np.sin(X[:, 0]) + 2 # +2 to avoid the value 0 in assert_allclose
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pipe = Pipeline(
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steps=[
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(
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"spline",
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SplineTransformer(
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n_knots=15,
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degree=3,
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include_bias=bias,
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extrapolation="constant",
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),
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),
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("ols", LinearRegression(fit_intercept=intercept)),
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]
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)
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pipe.fit(X, y)
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assert_allclose(pipe.predict(X), y, rtol=1e-3)
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@pytest.mark.parametrize(
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["knots", "n_knots", "sample_weight", "expected_knots"],
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[
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("uniform", 3, None, np.array([[0, 2], [3, 8], [6, 14]])),
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(
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"uniform",
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3,
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np.array([0, 0, 1, 1, 0, 3, 1]),
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np.array([[2, 2], [4, 8], [6, 14]]),
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),
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("uniform", 4, None, np.array([[0, 2], [2, 6], [4, 10], [6, 14]])),
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("quantile", 3, None, np.array([[0, 2], [3, 3], [6, 14]])),
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(
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"quantile",
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3,
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np.array([0, 0, 1, 1, 0, 3, 1]),
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np.array([[2, 2], [5, 8], [6, 14]]),
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),
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],
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)
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def test_spline_transformer_get_base_knot_positions(
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knots, n_knots, sample_weight, expected_knots
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):
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# Check the behaviour to find the positions of the knots with and without
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# `sample_weight`
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X = np.array([[0, 2], [0, 2], [2, 2], [3, 3], [4, 6], [5, 8], [6, 14]])
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base_knots = SplineTransformer._get_base_knot_positions(
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X=X, knots=knots, n_knots=n_knots, sample_weight=sample_weight
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)
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assert_allclose(base_knots, expected_knots)
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@pytest.mark.parametrize(["bias", "intercept"], [(True, False), (False, True)])
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def test_spline_transformer_periodic_linear_regression(bias, intercept):
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"""Test that B-splines fit a periodic curve pretty well."""
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# "+ 3" to avoid the value 0 in assert_allclose
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def f(x):
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return np.sin(2 * np.pi * x) - np.sin(8 * np.pi * x) + 3
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X = np.linspace(0, 1, 101)[:, None]
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pipe = Pipeline(
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steps=[
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(
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"spline",
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SplineTransformer(
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n_knots=20,
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degree=3,
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include_bias=bias,
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extrapolation="periodic",
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),
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),
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("ols", LinearRegression(fit_intercept=intercept)),
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]
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)
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pipe.fit(X, f(X[:, 0]))
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# Generate larger array to check periodic extrapolation
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X_ = np.linspace(-1, 2, 301)[:, None]
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predictions = pipe.predict(X_)
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assert_allclose(predictions, f(X_[:, 0]), atol=0.01, rtol=0.01)
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assert_allclose(predictions[0:100], predictions[100:200], rtol=1e-3)
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def test_spline_transformer_periodic_spline_backport():
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"""Test that the backport of extrapolate="periodic" works correctly"""
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X = np.linspace(-2, 3.5, 10)[:, None]
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degree = 2
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# Use periodic extrapolation backport in SplineTransformer
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transformer = SplineTransformer(
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degree=degree, extrapolation="periodic", knots=[[-1.0], [0.0], [1.0]]
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)
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Xt = transformer.fit_transform(X)
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# Use periodic extrapolation in BSpline
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coef = np.array([[1.0, 0.0], [0.0, 1.0], [1.0, 0.0], [0.0, 1.0]])
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spl = BSpline(np.arange(-3, 4), coef, degree, "periodic")
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Xspl = spl(X[:, 0])
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assert_allclose(Xt, Xspl)
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def test_spline_transformer_periodic_splines_periodicity():
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"""
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Test if shifted knots result in the same transformation up to permutation.
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"""
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X = np.linspace(0, 10, 101)[:, None]
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transformer_1 = SplineTransformer(
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degree=3,
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extrapolation="periodic",
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knots=[[0.0], [1.0], [3.0], [4.0], [5.0], [8.0]],
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)
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transformer_2 = SplineTransformer(
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degree=3,
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extrapolation="periodic",
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knots=[[1.0], [3.0], [4.0], [5.0], [8.0], [9.0]],
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)
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Xt_1 = transformer_1.fit_transform(X)
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Xt_2 = transformer_2.fit_transform(X)
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assert_allclose(Xt_1, Xt_2[:, [4, 0, 1, 2, 3]])
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@pytest.mark.parametrize("degree", [3, 5])
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def test_spline_transformer_periodic_splines_smoothness(degree):
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"""Test that spline transformation is smooth at first / last knot."""
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X = np.linspace(-2, 10, 10_000)[:, None]
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transformer = SplineTransformer(
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degree=degree,
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extrapolation="periodic",
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knots=[[0.0], [1.0], [3.0], [4.0], [5.0], [8.0]],
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)
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Xt = transformer.fit_transform(X)
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delta = (X.max() - X.min()) / len(X)
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tol = 10 * delta
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dXt = Xt
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# We expect splines of degree `degree` to be (`degree`-1) times
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# continuously differentiable. I.e. for d = 0, ..., `degree` - 1 the d-th
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# derivative should be continuous. This is the case if the (d+1)-th
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# numerical derivative is reasonably small (smaller than `tol` in absolute
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# value). We thus compute d-th numeric derivatives for d = 1, ..., `degree`
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# and compare them to `tol`.
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#
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# Note that the 0-th derivative is the function itself, such that we are
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# also checking its continuity.
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for d in range(1, degree + 1):
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# Check continuity of the (d-1)-th derivative
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diff = np.diff(dXt, axis=0)
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assert np.abs(diff).max() < tol
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# Compute d-th numeric derivative
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dXt = diff / delta
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# As degree `degree` splines are not `degree` times continuously
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# differentiable at the knots, the `degree + 1`-th numeric derivative
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# should have spikes at the knots.
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diff = np.diff(dXt, axis=0)
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assert np.abs(diff).max() > 1
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@pytest.mark.parametrize(["bias", "intercept"], [(True, False), (False, True)])
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@pytest.mark.parametrize("degree", [1, 2, 3, 4, 5])
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def test_spline_transformer_extrapolation(bias, intercept, degree):
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"""Test that B-spline extrapolation works correctly."""
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# we use a straight line for that
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X = np.linspace(-1, 1, 100)[:, None]
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y = X.squeeze()
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# 'constant'
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pipe = Pipeline(
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[
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[
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"spline",
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SplineTransformer(
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n_knots=4,
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degree=degree,
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include_bias=bias,
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extrapolation="constant",
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),
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],
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["ols", LinearRegression(fit_intercept=intercept)],
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]
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)
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pipe.fit(X, y)
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assert_allclose(pipe.predict([[-10], [5]]), [-1, 1])
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# 'linear'
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pipe = Pipeline(
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[
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[
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"spline",
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SplineTransformer(
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n_knots=4,
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degree=degree,
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include_bias=bias,
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extrapolation="linear",
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),
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],
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["ols", LinearRegression(fit_intercept=intercept)],
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]
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)
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pipe.fit(X, y)
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assert_allclose(pipe.predict([[-10], [5]]), [-10, 5])
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# 'error'
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splt = SplineTransformer(
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n_knots=4, degree=degree, include_bias=bias, extrapolation="error"
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)
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splt.fit(X)
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with pytest.raises(ValueError):
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splt.transform([[-10]])
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with pytest.raises(ValueError):
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splt.transform([[5]])
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def test_spline_transformer_kbindiscretizer():
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"""Test that a B-spline of degree=0 is equivalent to KBinsDiscretizer."""
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rng = np.random.RandomState(97531)
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X = rng.randn(200).reshape(200, 1)
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n_bins = 5
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n_knots = n_bins + 1
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splt = SplineTransformer(
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n_knots=n_knots, degree=0, knots="quantile", include_bias=True
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)
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splines = splt.fit_transform(X)
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kbd = KBinsDiscretizer(n_bins=n_bins, encode="onehot-dense", strategy="quantile")
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kbins = kbd.fit_transform(X)
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# Though they should be exactly equal, we test approximately with high
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# accuracy.
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assert_allclose(splines, kbins, rtol=1e-13)
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@pytest.mark.parametrize("n_knots", [5, 10])
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@pytest.mark.parametrize("include_bias", [True, False])
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@pytest.mark.parametrize("degree", [3, 5])
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def test_spline_transformer_n_features_out(n_knots, include_bias, degree):
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"""Test that transform results in n_features_out_ features."""
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splt = SplineTransformer(n_knots=n_knots, degree=degree, include_bias=include_bias)
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X = np.linspace(0, 1, 10)[:, None]
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splt.fit(X)
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assert splt.transform(X).shape[1] == splt.n_features_out_
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@pytest.mark.parametrize(
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"params, err_msg",
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[
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({"degree": (-1, 2)}, r"degree=\(min_degree, max_degree\) must"),
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({"degree": (0, 1.5)}, r"degree=\(min_degree, max_degree\) must"),
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({"degree": (3, 2)}, r"degree=\(min_degree, max_degree\) must"),
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({"degree": (1, 2, 3)}, r"int or tuple \(min_degree, max_degree\)"),
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],
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)
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def test_polynomial_features_input_validation(params, err_msg):
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"""Test that we raise errors for invalid input in PolynomialFeatures."""
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X = [[1], [2]]
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with pytest.raises(ValueError, match=err_msg):
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PolynomialFeatures(**params).fit(X)
|
||
|
|
||
|
|
||
|
@pytest.fixture()
|
||
|
def single_feature_degree3():
|
||
|
X = np.arange(6)[:, np.newaxis]
|
||
|
P = np.hstack([np.ones_like(X), X, X**2, X**3])
|
||
|
return X, P
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
"degree, include_bias, interaction_only, indices",
|
||
|
[
|
||
|
(3, True, False, slice(None, None)),
|
||
|
(3, False, False, slice(1, None)),
|
||
|
(3, True, True, [0, 1]),
|
||
|
(3, False, True, [1]),
|
||
|
((2, 3), True, False, [0, 2, 3]),
|
||
|
((2, 3), False, False, [2, 3]),
|
||
|
((2, 3), True, True, [0]),
|
||
|
((2, 3), False, True, []),
|
||
|
],
|
||
|
)
|
||
|
@pytest.mark.parametrize(
|
||
|
"sparse_X",
|
||
|
[False, sparse.csr_matrix, sparse.csc_matrix],
|
||
|
)
|
||
|
def test_polynomial_features_one_feature(
|
||
|
single_feature_degree3,
|
||
|
degree,
|
||
|
include_bias,
|
||
|
interaction_only,
|
||
|
indices,
|
||
|
sparse_X,
|
||
|
):
|
||
|
"""Test PolynomialFeatures on single feature up to degree 3."""
|
||
|
X, P = single_feature_degree3
|
||
|
if sparse_X:
|
||
|
X = sparse_X(X)
|
||
|
tf = PolynomialFeatures(
|
||
|
degree=degree, include_bias=include_bias, interaction_only=interaction_only
|
||
|
).fit(X)
|
||
|
out = tf.transform(X)
|
||
|
if sparse_X:
|
||
|
out = out.toarray()
|
||
|
assert_allclose(out, P[:, indices])
|
||
|
if tf.n_output_features_ > 0:
|
||
|
assert tf.powers_.shape == (tf.n_output_features_, tf.n_features_in_)
|
||
|
|
||
|
|
||
|
@pytest.fixture()
|
||
|
def two_features_degree3():
|
||
|
X = np.arange(6).reshape((3, 2))
|
||
|
x1 = X[:, :1]
|
||
|
x2 = X[:, 1:]
|
||
|
P = np.hstack(
|
||
|
[
|
||
|
x1**0 * x2**0, # 0
|
||
|
x1**1 * x2**0, # 1
|
||
|
x1**0 * x2**1, # 2
|
||
|
x1**2 * x2**0, # 3
|
||
|
x1**1 * x2**1, # 4
|
||
|
x1**0 * x2**2, # 5
|
||
|
x1**3 * x2**0, # 6
|
||
|
x1**2 * x2**1, # 7
|
||
|
x1**1 * x2**2, # 8
|
||
|
x1**0 * x2**3, # 9
|
||
|
]
|
||
|
)
|
||
|
return X, P
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
"degree, include_bias, interaction_only, indices",
|
||
|
[
|
||
|
(2, True, False, slice(0, 6)),
|
||
|
(2, False, False, slice(1, 6)),
|
||
|
(2, True, True, [0, 1, 2, 4]),
|
||
|
(2, False, True, [1, 2, 4]),
|
||
|
((2, 2), True, False, [0, 3, 4, 5]),
|
||
|
((2, 2), False, False, [3, 4, 5]),
|
||
|
((2, 2), True, True, [0, 4]),
|
||
|
((2, 2), False, True, [4]),
|
||
|
(3, True, False, slice(None, None)),
|
||
|
(3, False, False, slice(1, None)),
|
||
|
(3, True, True, [0, 1, 2, 4]),
|
||
|
(3, False, True, [1, 2, 4]),
|
||
|
((2, 3), True, False, [0, 3, 4, 5, 6, 7, 8, 9]),
|
||
|
((2, 3), False, False, slice(3, None)),
|
||
|
((2, 3), True, True, [0, 4]),
|
||
|
((2, 3), False, True, [4]),
|
||
|
((3, 3), True, False, [0, 6, 7, 8, 9]),
|
||
|
((3, 3), False, False, [6, 7, 8, 9]),
|
||
|
((3, 3), True, True, [0]),
|
||
|
((3, 3), False, True, []), # would need 3 input features
|
||
|
],
|
||
|
)
|
||
|
@pytest.mark.parametrize(
|
||
|
"sparse_X",
|
||
|
[False, sparse.csr_matrix, sparse.csc_matrix],
|
||
|
)
|
||
|
def test_polynomial_features_two_features(
|
||
|
two_features_degree3,
|
||
|
degree,
|
||
|
include_bias,
|
||
|
interaction_only,
|
||
|
indices,
|
||
|
sparse_X,
|
||
|
):
|
||
|
"""Test PolynomialFeatures on 2 features up to degree 3."""
|
||
|
X, P = two_features_degree3
|
||
|
if sparse_X:
|
||
|
X = sparse_X(X)
|
||
|
tf = PolynomialFeatures(
|
||
|
degree=degree, include_bias=include_bias, interaction_only=interaction_only
|
||
|
).fit(X)
|
||
|
out = tf.transform(X)
|
||
|
if sparse_X:
|
||
|
out = out.toarray()
|
||
|
assert_allclose(out, P[:, indices])
|
||
|
if tf.n_output_features_ > 0:
|
||
|
assert tf.powers_.shape == (tf.n_output_features_, tf.n_features_in_)
|
||
|
|
||
|
|
||
|
def test_polynomial_feature_names():
|
||
|
X = np.arange(30).reshape(10, 3)
|
||
|
poly = PolynomialFeatures(degree=2, include_bias=True).fit(X)
|
||
|
feature_names = poly.get_feature_names_out()
|
||
|
assert_array_equal(
|
||
|
["1", "x0", "x1", "x2", "x0^2", "x0 x1", "x0 x2", "x1^2", "x1 x2", "x2^2"],
|
||
|
feature_names,
|
||
|
)
|
||
|
assert len(feature_names) == poly.transform(X).shape[1]
|
||
|
|
||
|
poly = PolynomialFeatures(degree=3, include_bias=False).fit(X)
|
||
|
feature_names = poly.get_feature_names_out(["a", "b", "c"])
|
||
|
assert_array_equal(
|
||
|
[
|
||
|
"a",
|
||
|
"b",
|
||
|
"c",
|
||
|
"a^2",
|
||
|
"a b",
|
||
|
"a c",
|
||
|
"b^2",
|
||
|
"b c",
|
||
|
"c^2",
|
||
|
"a^3",
|
||
|
"a^2 b",
|
||
|
"a^2 c",
|
||
|
"a b^2",
|
||
|
"a b c",
|
||
|
"a c^2",
|
||
|
"b^3",
|
||
|
"b^2 c",
|
||
|
"b c^2",
|
||
|
"c^3",
|
||
|
],
|
||
|
feature_names,
|
||
|
)
|
||
|
assert len(feature_names) == poly.transform(X).shape[1]
|
||
|
|
||
|
poly = PolynomialFeatures(degree=(2, 3), include_bias=False).fit(X)
|
||
|
feature_names = poly.get_feature_names_out(["a", "b", "c"])
|
||
|
assert_array_equal(
|
||
|
[
|
||
|
"a^2",
|
||
|
"a b",
|
||
|
"a c",
|
||
|
"b^2",
|
||
|
"b c",
|
||
|
"c^2",
|
||
|
"a^3",
|
||
|
"a^2 b",
|
||
|
"a^2 c",
|
||
|
"a b^2",
|
||
|
"a b c",
|
||
|
"a c^2",
|
||
|
"b^3",
|
||
|
"b^2 c",
|
||
|
"b c^2",
|
||
|
"c^3",
|
||
|
],
|
||
|
feature_names,
|
||
|
)
|
||
|
assert len(feature_names) == poly.transform(X).shape[1]
|
||
|
|
||
|
poly = PolynomialFeatures(
|
||
|
degree=(3, 3), include_bias=True, interaction_only=True
|
||
|
).fit(X)
|
||
|
feature_names = poly.get_feature_names_out(["a", "b", "c"])
|
||
|
assert_array_equal(["1", "a b c"], feature_names)
|
||
|
assert len(feature_names) == poly.transform(X).shape[1]
|
||
|
|
||
|
# test some unicode
|
||
|
poly = PolynomialFeatures(degree=1, include_bias=True).fit(X)
|
||
|
feature_names = poly.get_feature_names_out(["\u0001F40D", "\u262E", "\u05D0"])
|
||
|
assert_array_equal(["1", "\u0001F40D", "\u262E", "\u05D0"], feature_names)
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
["deg", "include_bias", "interaction_only", "dtype"],
|
||
|
[
|
||
|
(1, True, False, int),
|
||
|
(2, True, False, int),
|
||
|
(2, True, False, np.float32),
|
||
|
(2, True, False, np.float64),
|
||
|
(3, False, False, np.float64),
|
||
|
(3, False, True, np.float64),
|
||
|
(4, False, False, np.float64),
|
||
|
(4, False, True, np.float64),
|
||
|
],
|
||
|
)
|
||
|
def test_polynomial_features_csc_X(deg, include_bias, interaction_only, dtype):
|
||
|
rng = np.random.RandomState(0)
|
||
|
X = rng.randint(0, 2, (100, 2))
|
||
|
X_csc = sparse.csc_matrix(X)
|
||
|
|
||
|
est = PolynomialFeatures(
|
||
|
deg, include_bias=include_bias, interaction_only=interaction_only
|
||
|
)
|
||
|
Xt_csc = est.fit_transform(X_csc.astype(dtype))
|
||
|
Xt_dense = est.fit_transform(X.astype(dtype))
|
||
|
|
||
|
assert isinstance(Xt_csc, sparse.csc_matrix)
|
||
|
assert Xt_csc.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csc.A, Xt_dense)
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
["deg", "include_bias", "interaction_only", "dtype"],
|
||
|
[
|
||
|
(1, True, False, int),
|
||
|
(2, True, False, int),
|
||
|
(2, True, False, np.float32),
|
||
|
(2, True, False, np.float64),
|
||
|
(3, False, False, np.float64),
|
||
|
(3, False, True, np.float64),
|
||
|
],
|
||
|
)
|
||
|
def test_polynomial_features_csr_X(deg, include_bias, interaction_only, dtype):
|
||
|
rng = np.random.RandomState(0)
|
||
|
X = rng.randint(0, 2, (100, 2))
|
||
|
X_csr = sparse.csr_matrix(X)
|
||
|
|
||
|
est = PolynomialFeatures(
|
||
|
deg, include_bias=include_bias, interaction_only=interaction_only
|
||
|
)
|
||
|
Xt_csr = est.fit_transform(X_csr.astype(dtype))
|
||
|
Xt_dense = est.fit_transform(X.astype(dtype, copy=False))
|
||
|
|
||
|
assert isinstance(Xt_csr, sparse.csr_matrix)
|
||
|
assert Xt_csr.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csr.A, Xt_dense)
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize("n_features", [1, 4, 5])
|
||
|
@pytest.mark.parametrize(
|
||
|
"min_degree, max_degree", [(0, 1), (0, 2), (1, 3), (0, 4), (3, 4)]
|
||
|
)
|
||
|
@pytest.mark.parametrize("interaction_only", [True, False])
|
||
|
@pytest.mark.parametrize("include_bias", [True, False])
|
||
|
def test_num_combinations(
|
||
|
n_features,
|
||
|
min_degree,
|
||
|
max_degree,
|
||
|
interaction_only,
|
||
|
include_bias,
|
||
|
):
|
||
|
"""
|
||
|
Test that n_output_features_ is calculated correctly.
|
||
|
"""
|
||
|
x = sparse.csr_matrix(([1], ([0], [n_features - 1])))
|
||
|
est = PolynomialFeatures(
|
||
|
degree=max_degree,
|
||
|
interaction_only=interaction_only,
|
||
|
include_bias=include_bias,
|
||
|
)
|
||
|
est.fit(x)
|
||
|
num_combos = est.n_output_features_
|
||
|
|
||
|
combos = PolynomialFeatures._combinations(
|
||
|
n_features=n_features,
|
||
|
min_degree=0,
|
||
|
max_degree=max_degree,
|
||
|
interaction_only=interaction_only,
|
||
|
include_bias=include_bias,
|
||
|
)
|
||
|
assert num_combos == sum([1 for _ in combos])
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
["deg", "include_bias", "interaction_only", "dtype"],
|
||
|
[
|
||
|
(2, True, False, np.float32),
|
||
|
(2, True, False, np.float64),
|
||
|
(3, False, False, np.float64),
|
||
|
(3, False, True, np.float64),
|
||
|
],
|
||
|
)
|
||
|
def test_polynomial_features_csr_X_floats(deg, include_bias, interaction_only, dtype):
|
||
|
X_csr = sparse_random(1000, 10, 0.5, random_state=0).tocsr()
|
||
|
X = X_csr.toarray()
|
||
|
|
||
|
est = PolynomialFeatures(
|
||
|
deg, include_bias=include_bias, interaction_only=interaction_only
|
||
|
)
|
||
|
Xt_csr = est.fit_transform(X_csr.astype(dtype))
|
||
|
Xt_dense = est.fit_transform(X.astype(dtype))
|
||
|
|
||
|
assert isinstance(Xt_csr, sparse.csr_matrix)
|
||
|
assert Xt_csr.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csr.A, Xt_dense)
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
["zero_row_index", "deg", "interaction_only"],
|
||
|
[
|
||
|
(0, 2, True),
|
||
|
(1, 2, True),
|
||
|
(2, 2, True),
|
||
|
(0, 3, True),
|
||
|
(1, 3, True),
|
||
|
(2, 3, True),
|
||
|
(0, 2, False),
|
||
|
(1, 2, False),
|
||
|
(2, 2, False),
|
||
|
(0, 3, False),
|
||
|
(1, 3, False),
|
||
|
(2, 3, False),
|
||
|
],
|
||
|
)
|
||
|
def test_polynomial_features_csr_X_zero_row(zero_row_index, deg, interaction_only):
|
||
|
X_csr = sparse_random(3, 10, 1.0, random_state=0).tocsr()
|
||
|
X_csr[zero_row_index, :] = 0.0
|
||
|
X = X_csr.toarray()
|
||
|
|
||
|
est = PolynomialFeatures(deg, include_bias=False, interaction_only=interaction_only)
|
||
|
Xt_csr = est.fit_transform(X_csr)
|
||
|
Xt_dense = est.fit_transform(X)
|
||
|
|
||
|
assert isinstance(Xt_csr, sparse.csr_matrix)
|
||
|
assert Xt_csr.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csr.A, Xt_dense)
|
||
|
|
||
|
|
||
|
# This degree should always be one more than the highest degree supported by
|
||
|
# _csr_expansion.
|
||
|
@pytest.mark.parametrize(
|
||
|
["include_bias", "interaction_only"],
|
||
|
[(True, True), (True, False), (False, True), (False, False)],
|
||
|
)
|
||
|
def test_polynomial_features_csr_X_degree_4(include_bias, interaction_only):
|
||
|
X_csr = sparse_random(1000, 10, 0.5, random_state=0).tocsr()
|
||
|
X = X_csr.toarray()
|
||
|
|
||
|
est = PolynomialFeatures(
|
||
|
4, include_bias=include_bias, interaction_only=interaction_only
|
||
|
)
|
||
|
Xt_csr = est.fit_transform(X_csr)
|
||
|
Xt_dense = est.fit_transform(X)
|
||
|
|
||
|
assert isinstance(Xt_csr, sparse.csr_matrix)
|
||
|
assert Xt_csr.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csr.A, Xt_dense)
|
||
|
|
||
|
|
||
|
@pytest.mark.parametrize(
|
||
|
["deg", "dim", "interaction_only"],
|
||
|
[
|
||
|
(2, 1, True),
|
||
|
(2, 2, True),
|
||
|
(3, 1, True),
|
||
|
(3, 2, True),
|
||
|
(3, 3, True),
|
||
|
(2, 1, False),
|
||
|
(2, 2, False),
|
||
|
(3, 1, False),
|
||
|
(3, 2, False),
|
||
|
(3, 3, False),
|
||
|
],
|
||
|
)
|
||
|
def test_polynomial_features_csr_X_dim_edges(deg, dim, interaction_only):
|
||
|
X_csr = sparse_random(1000, dim, 0.5, random_state=0).tocsr()
|
||
|
X = X_csr.toarray()
|
||
|
|
||
|
est = PolynomialFeatures(deg, interaction_only=interaction_only)
|
||
|
Xt_csr = est.fit_transform(X_csr)
|
||
|
Xt_dense = est.fit_transform(X)
|
||
|
|
||
|
assert isinstance(Xt_csr, sparse.csr_matrix)
|
||
|
assert Xt_csr.dtype == Xt_dense.dtype
|
||
|
assert_array_almost_equal(Xt_csr.A, Xt_dense)
|
||
|
|
||
|
|
||
|
def test_polynomial_features_behaviour_on_zero_degree():
|
||
|
"""Check that PolynomialFeatures raises error when degree=0 and include_bias=False,
|
||
|
and output a single constant column when include_bias=True
|
||
|
"""
|
||
|
X = np.ones((10, 2))
|
||
|
poly = PolynomialFeatures(degree=0, include_bias=False)
|
||
|
err_msg = (
|
||
|
"Setting degree to zero and include_bias to False would result in"
|
||
|
" an empty output array."
|
||
|
)
|
||
|
with pytest.raises(ValueError, match=err_msg):
|
||
|
poly.fit_transform(X)
|
||
|
|
||
|
poly = PolynomialFeatures(degree=(0, 0), include_bias=False)
|
||
|
err_msg = (
|
||
|
"Setting both min_degree and max_degree to zero and include_bias to"
|
||
|
" False would result in an empty output array."
|
||
|
)
|
||
|
with pytest.raises(ValueError, match=err_msg):
|
||
|
poly.fit_transform(X)
|
||
|
|
||
|
for _X in [X, sparse.csr_matrix(X), sparse.csc_matrix(X)]:
|
||
|
poly = PolynomialFeatures(degree=0, include_bias=True)
|
||
|
output = poly.fit_transform(_X)
|
||
|
# convert to dense array if needed
|
||
|
if sparse.issparse(output):
|
||
|
output = output.toarray()
|
||
|
assert_array_equal(output, np.ones((X.shape[0], 1)))
|