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import warnings
import numpy as np
import pytest
import scipy.sparse as sp
from sklearn import clone
from sklearn.preprocessing import KBinsDiscretizer, OneHotEncoder
from sklearn.utils._testing import (
assert_allclose,
assert_allclose_dense_sparse,
assert_array_almost_equal,
assert_array_equal,
ignore_warnings,
)
X = [[-2, 1.5, -4, -1], [-1, 2.5, -3, -0.5], [0, 3.5, -2, 0.5], [1, 4.5, -1, 2]]
@pytest.mark.parametrize(
"strategy, quantile_method, expected, sample_weight",
[
(
"uniform",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [1, 1, 1, 0], [2, 2, 2, 1], [2, 2, 2, 2]],
None,
),
(
"kmeans",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2]],
None,
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2], [2, 2, 2, 2]],
None,
),
(
"uniform",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [1, 1, 1, 0], [2, 2, 2, 1], [2, 2, 2, 2]],
[1, 1, 2, 1],
),
(
"uniform",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [1, 1, 1, 0], [2, 2, 2, 1], [2, 2, 2, 2]],
[1, 1, 1, 1],
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2], [2, 2, 2, 2]],
[1, 1, 2, 1],
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2], [2, 2, 2, 2]],
[1, 1, 1, 1],
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2]],
[0, 1, 1, 1],
),
(
"kmeans",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [1, 1, 1, 0], [1, 1, 1, 1], [2, 2, 2, 2]],
[1, 0, 3, 1],
),
(
"kmeans",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 1, 1, 1], [2, 2, 2, 2]],
[1, 1, 1, 1],
),
],
)
def test_fit_transform(strategy, quantile_method, expected, sample_weight):
est = KBinsDiscretizer(
n_bins=3, encode="ordinal", strategy=strategy, quantile_method=quantile_method
)
with ignore_warnings(category=UserWarning):
# Ignore the warning on removed small bins.
est.fit(X, sample_weight=sample_weight)
assert_array_equal(est.transform(X), expected)
def test_valid_n_bins():
KBinsDiscretizer(n_bins=2, quantile_method="averaged_inverted_cdf").fit_transform(X)
KBinsDiscretizer(
n_bins=np.array([2])[0], quantile_method="averaged_inverted_cdf"
).fit_transform(X)
assert KBinsDiscretizer(n_bins=2, quantile_method="averaged_inverted_cdf").fit(
X
).n_bins_.dtype == np.dtype(int)
def test_invalid_n_bins_array():
# Bad shape
n_bins = np.full((2, 4), 2.0)
est = KBinsDiscretizer(n_bins=n_bins, quantile_method="averaged_inverted_cdf")
err_msg = r"n_bins must be a scalar or array of shape \(n_features,\)."
with pytest.raises(ValueError, match=err_msg):
est.fit_transform(X)
# Incorrect number of features
n_bins = [1, 2, 2]
est = KBinsDiscretizer(n_bins=n_bins, quantile_method="averaged_inverted_cdf")
err_msg = r"n_bins must be a scalar or array of shape \(n_features,\)."
with pytest.raises(ValueError, match=err_msg):
est.fit_transform(X)
# Bad bin values
n_bins = [1, 2, 2, 1]
est = KBinsDiscretizer(n_bins=n_bins, quantile_method="averaged_inverted_cdf")
err_msg = (
"KBinsDiscretizer received an invalid number of bins "
"at indices 0, 3. Number of bins must be at least 2, "
"and must be an int."
)
with pytest.raises(ValueError, match=err_msg):
est.fit_transform(X)
# Float bin values
n_bins = [2.1, 2, 2.1, 2]
est = KBinsDiscretizer(n_bins=n_bins, quantile_method="averaged_inverted_cdf")
err_msg = (
"KBinsDiscretizer received an invalid number of bins "
"at indices 0, 2. Number of bins must be at least 2, "
"and must be an int."
)
with pytest.raises(ValueError, match=err_msg):
est.fit_transform(X)
@pytest.mark.parametrize(
"strategy, quantile_method, expected, sample_weight",
[
(
"uniform",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [0, 1, 1, 0], [1, 2, 2, 1], [1, 2, 2, 2]],
None,
),
(
"kmeans",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 1, 1, 1], [1, 2, 2, 2]],
None,
),
(
"quantile",
"linear",
[[0, 0, 0, 0], [0, 1, 1, 1], [1, 2, 2, 2], [1, 2, 2, 2]],
None,
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [0, 1, 1, 1], [1, 2, 2, 2], [1, 2, 2, 2]],
None,
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [0, 1, 1, 1], [1, 2, 2, 2], [1, 2, 2, 2]],
[1, 1, 1, 1],
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 1, 1, 1], [1, 1, 1, 1]],
[0, 1, 3, 1],
),
(
"quantile",
"averaged_inverted_cdf",
[[0, 0, 0, 0], [0, 0, 0, 0], [1, 2, 2, 2], [1, 2, 2, 2]],
[1, 1, 3, 1],
),
(
"kmeans",
"warn", # default, will not warn when strategy != "quantile"
[[0, 0, 0, 0], [0, 1, 1, 0], [1, 1, 1, 1], [1, 2, 2, 2]],
[1, 0, 3, 1],
),
],
)
def test_fit_transform_n_bins_array(strategy, quantile_method, expected, sample_weight):
est = KBinsDiscretizer(
n_bins=[2, 3, 3, 3],
encode="ordinal",
strategy=strategy,
quantile_method=quantile_method,
).fit(X, sample_weight=sample_weight)
assert_array_equal(est.transform(X), expected)
# test the shape of bin_edges_
n_features = np.array(X).shape[1]
assert est.bin_edges_.shape == (n_features,)
for bin_edges, n_bins in zip(est.bin_edges_, est.n_bins_):
assert bin_edges.shape == (n_bins + 1,)
@pytest.mark.filterwarnings("ignore: Bins whose width are too small")
def test_kbinsdiscretizer_effect_sample_weight():
"""Check the impact of `sample_weight` one computed quantiles."""
X = np.array([[-2], [-1], [1], [3], [500], [1000]])
# add a large number of bins such that each sample with a non-null weight
# will be used as bin edge
est = KBinsDiscretizer(
n_bins=10,
encode="ordinal",
strategy="quantile",
quantile_method="averaged_inverted_cdf",
)
est.fit(X, sample_weight=[1, 1, 1, 1, 0, 0])
assert_allclose(est.bin_edges_[0], [-2, -1, 0, 1, 3])
assert_allclose(est.transform(X), [[0.0], [1.0], [3.0], [3.0], [3.0], [3.0]])
@pytest.mark.parametrize("strategy", ["kmeans", "quantile"])
def test_kbinsdiscretizer_no_mutating_sample_weight(strategy):
"""Make sure that `sample_weight` is not changed in place."""
if strategy == "quantile":
est = KBinsDiscretizer(
n_bins=3,
encode="ordinal",
strategy=strategy,
quantile_method="averaged_inverted_cdf",
)
else:
est = KBinsDiscretizer(n_bins=3, encode="ordinal", strategy=strategy)
sample_weight = np.array([1, 3, 1, 2], dtype=np.float64)
sample_weight_copy = np.copy(sample_weight)
est.fit(X, sample_weight=sample_weight)
assert_allclose(sample_weight, sample_weight_copy)
@pytest.mark.parametrize("strategy", ["uniform", "kmeans", "quantile"])
def test_same_min_max(strategy):
warnings.simplefilter("always")
X = np.array([[1, -2], [1, -1], [1, 0], [1, 1]])
if strategy == "quantile":
est = KBinsDiscretizer(
strategy=strategy,
n_bins=3,
encode="ordinal",
quantile_method="averaged_inverted_cdf",
)
else:
est = KBinsDiscretizer(strategy=strategy, n_bins=3, encode="ordinal")
warning_message = "Feature 0 is constant and will be replaced with 0."
with pytest.warns(UserWarning, match=warning_message):
est.fit(X)
assert est.n_bins_[0] == 1
# replace the feature with zeros
Xt = est.transform(X)
assert_array_equal(Xt[:, 0], np.zeros(X.shape[0]))
def test_transform_1d_behavior():
X = np.arange(4)
est = KBinsDiscretizer(n_bins=2, quantile_method="averaged_inverted_cdf")
with pytest.raises(ValueError):
est.fit(X)
est = KBinsDiscretizer(n_bins=2, quantile_method="averaged_inverted_cdf")
est.fit(X.reshape(-1, 1))
with pytest.raises(ValueError):
est.transform(X)
@pytest.mark.parametrize("i", range(1, 9))
def test_numeric_stability(i):
X_init = np.array([2.0, 4.0, 6.0, 8.0, 10.0]).reshape(-1, 1)
Xt_expected = np.array([0, 0, 1, 1, 1]).reshape(-1, 1)
# Test up to discretizing nano units
X = X_init / 10**i
Xt = KBinsDiscretizer(
n_bins=2, encode="ordinal", quantile_method="averaged_inverted_cdf"
).fit_transform(X)
assert_array_equal(Xt_expected, Xt)
def test_encode_options():
est = KBinsDiscretizer(
n_bins=[2, 3, 3, 3], encode="ordinal", quantile_method="averaged_inverted_cdf"
).fit(X)
Xt_1 = est.transform(X)
est = KBinsDiscretizer(
n_bins=[2, 3, 3, 3],
encode="onehot-dense",
quantile_method="averaged_inverted_cdf",
).fit(X)
Xt_2 = est.transform(X)
assert not sp.issparse(Xt_2)
assert_array_equal(
OneHotEncoder(
categories=[np.arange(i) for i in [2, 3, 3, 3]], sparse_output=False
).fit_transform(Xt_1),
Xt_2,
)
est = KBinsDiscretizer(
n_bins=[2, 3, 3, 3], encode="onehot", quantile_method="averaged_inverted_cdf"
).fit(X)
Xt_3 = est.transform(X)
assert sp.issparse(Xt_3)
assert_array_equal(
OneHotEncoder(
categories=[np.arange(i) for i in [2, 3, 3, 3]], sparse_output=True
)
.fit_transform(Xt_1)
.toarray(),
Xt_3.toarray(),
)
@pytest.mark.parametrize(
"strategy, quantile_method, expected_2bins, expected_3bins, expected_5bins",
[
("uniform", "warn", [0, 0, 0, 0, 1, 1], [0, 0, 0, 0, 2, 2], [0, 0, 1, 1, 4, 4]),
("kmeans", "warn", [0, 0, 0, 0, 1, 1], [0, 0, 1, 1, 2, 2], [0, 0, 1, 2, 3, 4]),
(
"quantile",
"averaged_inverted_cdf",
[0, 0, 0, 1, 1, 1],
[0, 0, 1, 1, 2, 2],
[0, 1, 2, 3, 4, 4],
),
],
)
def test_nonuniform_strategies(
strategy, quantile_method, expected_2bins, expected_3bins, expected_5bins
):
X = np.array([0, 0.5, 2, 3, 9, 10]).reshape(-1, 1)
# with 2 bins
est = KBinsDiscretizer(
n_bins=2, strategy=strategy, quantile_method=quantile_method, encode="ordinal"
)
Xt = est.fit_transform(X)
assert_array_equal(expected_2bins, Xt.ravel())
# with 3 bins
est = KBinsDiscretizer(
n_bins=3, strategy=strategy, quantile_method=quantile_method, encode="ordinal"
)
Xt = est.fit_transform(X)
assert_array_equal(expected_3bins, Xt.ravel())
# with 5 bins
est = KBinsDiscretizer(
n_bins=5, strategy=strategy, quantile_method=quantile_method, encode="ordinal"
)
Xt = est.fit_transform(X)
assert_array_equal(expected_5bins, Xt.ravel())
@pytest.mark.parametrize(
"strategy, expected_inv,quantile_method",
[
(
"uniform",
[
[-1.5, 2.0, -3.5, -0.5],
[-0.5, 3.0, -2.5, -0.5],
[0.5, 4.0, -1.5, 0.5],
[0.5, 4.0, -1.5, 1.5],
],
"warn", # default, will not warn when strategy != "quantile"
),
(
"kmeans",
[
[-1.375, 2.125, -3.375, -0.5625],
[-1.375, 2.125, -3.375, -0.5625],
[-0.125, 3.375, -2.125, 0.5625],
[0.75, 4.25, -1.25, 1.625],
],
"warn", # default, will not warn when strategy != "quantile"
),
(
"quantile",
[
[-1.5, 2.0, -3.5, -0.75],
[-0.5, 3.0, -2.5, 0.0],
[0.5, 4.0, -1.5, 1.25],
[0.5, 4.0, -1.5, 1.25],
],
"averaged_inverted_cdf",
),
],
)
@pytest.mark.parametrize("encode", ["ordinal", "onehot", "onehot-dense"])
def test_inverse_transform(strategy, encode, expected_inv, quantile_method):
kbd = KBinsDiscretizer(
n_bins=3, strategy=strategy, quantile_method=quantile_method, encode=encode
)
Xt = kbd.fit_transform(X)
Xinv = kbd.inverse_transform(Xt)
assert_array_almost_equal(expected_inv, Xinv)
@pytest.mark.parametrize("strategy", ["uniform", "kmeans", "quantile"])
def test_transform_outside_fit_range(strategy):
X = np.array([0, 1, 2, 3])[:, None]
if strategy == "quantile":
kbd = KBinsDiscretizer(
n_bins=4,
strategy=strategy,
encode="ordinal",
quantile_method="averaged_inverted_cdf",
)
else:
kbd = KBinsDiscretizer(n_bins=4, strategy=strategy, encode="ordinal")
kbd.fit(X)
X2 = np.array([-2, 5])[:, None]
X2t = kbd.transform(X2)
assert_array_equal(X2t.max(axis=0) + 1, kbd.n_bins_)
assert_array_equal(X2t.min(axis=0), [0])
def test_overwrite():
X = np.array([0, 1, 2, 3])[:, None]
X_before = X.copy()
est = KBinsDiscretizer(
n_bins=3, quantile_method="averaged_inverted_cdf", encode="ordinal"
)
Xt = est.fit_transform(X)
assert_array_equal(X, X_before)
Xt_before = Xt.copy()
Xinv = est.inverse_transform(Xt)
assert_array_equal(Xt, Xt_before)
assert_array_equal(Xinv, np.array([[0.5], [1.5], [2.5], [2.5]]))
@pytest.mark.parametrize(
"strategy, expected_bin_edges, quantile_method",
[
("quantile", [0, 1.5, 3], "averaged_inverted_cdf"),
("kmeans", [0, 1.5, 3], "warn"),
],
)
def test_redundant_bins(strategy, expected_bin_edges, quantile_method):
X = [[0], [0], [0], [0], [3], [3]]
kbd = KBinsDiscretizer(
n_bins=3, strategy=strategy, quantile_method=quantile_method, subsample=None
)
warning_message = "Consider decreasing the number of bins."
with pytest.warns(UserWarning, match=warning_message):
kbd.fit(X)
assert_array_almost_equal(kbd.bin_edges_[0], expected_bin_edges)
def test_percentile_numeric_stability():
X = np.array([0.05, 0.05, 0.95]).reshape(-1, 1)
bin_edges = np.array([0.05, 0.23, 0.41, 0.59, 0.77, 0.95])
Xt = np.array([0, 0, 4]).reshape(-1, 1)
kbd = KBinsDiscretizer(
n_bins=10,
encode="ordinal",
strategy="quantile",
quantile_method="linear",
)
## TODO: change to averaged inverted cdf, but that means we only get bin
## edges of 0.05 and 0.95 and nothing in between
warning_message = "Consider decreasing the number of bins."
with pytest.warns(UserWarning, match=warning_message):
kbd.fit(X)
assert_array_almost_equal(kbd.bin_edges_[0], bin_edges)
assert_array_almost_equal(kbd.transform(X), Xt)
@pytest.mark.parametrize("in_dtype", [np.float16, np.float32, np.float64])
@pytest.mark.parametrize("out_dtype", [None, np.float32, np.float64])
@pytest.mark.parametrize("encode", ["ordinal", "onehot", "onehot-dense"])
def test_consistent_dtype(in_dtype, out_dtype, encode):
X_input = np.array(X, dtype=in_dtype)
kbd = KBinsDiscretizer(
n_bins=3,
encode=encode,
quantile_method="averaged_inverted_cdf",
dtype=out_dtype,
)
kbd.fit(X_input)
# test output dtype
if out_dtype is not None:
expected_dtype = out_dtype
elif out_dtype is None and X_input.dtype == np.float16:
# wrong numeric input dtype are cast in np.float64
expected_dtype = np.float64
else:
expected_dtype = X_input.dtype
Xt = kbd.transform(X_input)
assert Xt.dtype == expected_dtype
@pytest.mark.parametrize("input_dtype", [np.float16, np.float32, np.float64])
@pytest.mark.parametrize("encode", ["ordinal", "onehot", "onehot-dense"])
def test_32_equal_64(input_dtype, encode):
# TODO this check is redundant with common checks and can be removed
# once #16290 is merged
X_input = np.array(X, dtype=input_dtype)
# 32 bit output
kbd_32 = KBinsDiscretizer(
n_bins=3,
encode=encode,
quantile_method="averaged_inverted_cdf",
dtype=np.float32,
)
kbd_32.fit(X_input)
Xt_32 = kbd_32.transform(X_input)
# 64 bit output
kbd_64 = KBinsDiscretizer(
n_bins=3,
encode=encode,
quantile_method="averaged_inverted_cdf",
dtype=np.float64,
)
kbd_64.fit(X_input)
Xt_64 = kbd_64.transform(X_input)
assert_allclose_dense_sparse(Xt_32, Xt_64)
def test_kbinsdiscretizer_subsample_default():
# Since the size of X is small (< 2e5), subsampling will not take place.
X = np.array([-2, 1.5, -4, -1]).reshape(-1, 1)
kbd_default = KBinsDiscretizer(
n_bins=10,
encode="ordinal",
strategy="quantile",
quantile_method="averaged_inverted_cdf",
)
kbd_default.fit(X)
kbd_without_subsampling = clone(kbd_default)
kbd_without_subsampling.set_params(subsample=None)
kbd_without_subsampling.fit(X)
for bin_kbd_default, bin_kbd_with_subsampling in zip(
kbd_default.bin_edges_[0], kbd_without_subsampling.bin_edges_[0]
):
np.testing.assert_allclose(bin_kbd_default, bin_kbd_with_subsampling)
assert kbd_default.bin_edges_.shape == kbd_without_subsampling.bin_edges_.shape
@pytest.mark.parametrize(
"encode, expected_names",
[
(
"onehot",
[
f"feat{col_id}_{float(bin_id)}"
for col_id in range(3)
for bin_id in range(4)
],
),
(
"onehot-dense",
[
f"feat{col_id}_{float(bin_id)}"
for col_id in range(3)
for bin_id in range(4)
],
),
("ordinal", [f"feat{col_id}" for col_id in range(3)]),
],
)
def test_kbinsdiscrtizer_get_feature_names_out(encode, expected_names):
"""Check get_feature_names_out for different settings.
Non-regression test for #22731
"""
X = [[-2, 1, -4], [-1, 2, -3], [0, 3, -2], [1, 4, -1]]
kbd = KBinsDiscretizer(
n_bins=4, encode=encode, quantile_method="averaged_inverted_cdf"
).fit(X)
Xt = kbd.transform(X)
input_features = [f"feat{i}" for i in range(3)]
output_names = kbd.get_feature_names_out(input_features)
assert Xt.shape[1] == output_names.shape[0]
assert_array_equal(output_names, expected_names)
@pytest.mark.parametrize("strategy", ["uniform", "kmeans", "quantile"])
def test_kbinsdiscretizer_subsample(strategy, global_random_seed):
# Check that the bin edges are almost the same when subsampling is used.
X = np.random.RandomState(global_random_seed).random_sample((100000, 1)) + 1
if strategy == "quantile":
kbd_subsampling = KBinsDiscretizer(
strategy=strategy,
subsample=50000,
random_state=global_random_seed,
quantile_method="averaged_inverted_cdf",
)
else:
kbd_subsampling = KBinsDiscretizer(
strategy=strategy, subsample=50000, random_state=global_random_seed
)
kbd_subsampling.fit(X)
kbd_no_subsampling = clone(kbd_subsampling)
kbd_no_subsampling.set_params(subsample=None)
kbd_no_subsampling.fit(X)
# We use a large tolerance because we can't expect the bin edges to be exactly the
# same when subsampling is used.
assert_allclose(
kbd_subsampling.bin_edges_[0], kbd_no_subsampling.bin_edges_[0], rtol=1e-2
)
def test_quantile_method_future_warnings():
X = [[-2, 1, -4], [-1, 2, -3], [0, 3, -2], [1, 4, -1]]
with pytest.warns(
FutureWarning,
match="The current default behavior, quantile_method='linear', will be "
"changed to quantile_method='averaged_inverted_cdf' in "
"scikit-learn version 1.9 to naturally support sample weight "
"equivalence properties by default. Pass "
"quantile_method='averaged_inverted_cdf' explicitly to silence this "
"warning.",
):
KBinsDiscretizer(strategy="quantile").fit(X)
def test_invalid_quantile_method_with_sample_weight():
X = [[-2, 1, -4], [-1, 2, -3], [0, 3, -2], [1, 4, -1]]
expected_msg = (
"When fitting with strategy='quantile' and sample weights, "
"quantile_method should either be set to 'averaged_inverted_cdf' or "
"'inverted_cdf', got quantile_method='linear' instead."
)
with pytest.raises(
ValueError,
match=expected_msg,
):
KBinsDiscretizer(strategy="quantile", quantile_method="linear").fit(
X,
sample_weight=[1, 1, 2, 2],
)
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