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import itertools
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import pickle
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import copy
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import numpy as np
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from numpy.testing import assert_array_almost_equal
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import pytest
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import scipy.sparse as sp
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from scipy.spatial.distance import cdist
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from sklearn.metrics import DistanceMetric
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from sklearn.metrics._dist_metrics import BOOL_METRICS
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from sklearn.utils import check_random_state
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from sklearn.utils._testing import create_memmap_backed_data
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from sklearn.utils.fixes import sp_version, parse_version
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def dist_func(x1, x2, p):
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return np.sum((x1 - x2) ** p) ** (1.0 / p)
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rng = check_random_state(0)
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d = 4
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n1 = 20
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n2 = 25
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X1 = rng.random_sample((n1, d)).astype("float64", copy=False)
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X2 = rng.random_sample((n2, d)).astype("float64", copy=False)
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[X1_mmap, X2_mmap] = create_memmap_backed_data([X1, X2])
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# make boolean arrays: ones and zeros
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X1_bool = X1.round(0)
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X2_bool = X2.round(0)
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[X1_bool_mmap, X2_bool_mmap] = create_memmap_backed_data([X1_bool, X2_bool])
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V = rng.random_sample((d, d))
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VI = np.dot(V, V.T)
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METRICS_DEFAULT_PARAMS = [
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("euclidean", {}),
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("cityblock", {}),
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("minkowski", dict(p=(1, 1.5, 2, 3))),
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("chebyshev", {}),
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("seuclidean", dict(V=(rng.random_sample(d),))),
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("mahalanobis", dict(VI=(VI,))),
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("hamming", {}),
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("canberra", {}),
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("braycurtis", {}),
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]
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if sp_version >= parse_version("1.8.0.dev0"):
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# Starting from scipy 1.8.0.dev0, minkowski now accepts w, the weighting
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# parameter directly and using it is preferred over using wminkowski.
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METRICS_DEFAULT_PARAMS.append(
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("minkowski", dict(p=(1, 1.5, 3), w=(rng.random_sample(d),))),
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)
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else:
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# For previous versions of scipy, this was possible through a dedicated
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# metric (deprecated in 1.6 and removed in 1.8).
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METRICS_DEFAULT_PARAMS.append(
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("wminkowski", dict(p=(1, 1.5, 3), w=(rng.random_sample(d),))),
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)
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def check_cdist(metric, kwargs, X1, X2):
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if metric == "wminkowski":
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# wminkoski is deprecated in SciPy 1.6.0 and removed in 1.8.0
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WarningToExpect = None
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if sp_version >= parse_version("1.6.0"):
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WarningToExpect = DeprecationWarning
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with pytest.warns(WarningToExpect):
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D_scipy_cdist = cdist(X1, X2, metric, **kwargs)
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else:
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D_scipy_cdist = cdist(X1, X2, metric, **kwargs)
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dm = DistanceMetric.get_metric(metric, **kwargs)
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D_sklearn = dm.pairwise(X1, X2)
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assert_array_almost_equal(D_sklearn, D_scipy_cdist)
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# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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@pytest.mark.parametrize("metric_param_grid", METRICS_DEFAULT_PARAMS)
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@pytest.mark.parametrize("X1, X2", [(X1, X2), (X1_mmap, X2_mmap)])
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def test_cdist(metric_param_grid, X1, X2):
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metric, param_grid = metric_param_grid
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keys = param_grid.keys()
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for vals in itertools.product(*param_grid.values()):
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kwargs = dict(zip(keys, vals))
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if metric == "mahalanobis":
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# See: https://github.com/scipy/scipy/issues/13861
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# Possibly caused by: https://github.com/joblib/joblib/issues/563
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pytest.xfail(
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"scipy#13861: cdist with 'mahalanobis' fails on joblib memmap data"
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)
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check_cdist(metric, kwargs, X1, X2)
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@pytest.mark.parametrize("metric", BOOL_METRICS)
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@pytest.mark.parametrize(
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"X1_bool, X2_bool", [(X1_bool, X2_bool), (X1_bool_mmap, X2_bool_mmap)]
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)
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def test_cdist_bool_metric(metric, X1_bool, X2_bool):
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D_true = cdist(X1_bool, X2_bool, metric)
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check_cdist_bool(metric, D_true)
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def check_cdist_bool(metric, D_true):
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dm = DistanceMetric.get_metric(metric)
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D12 = dm.pairwise(X1_bool, X2_bool)
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assert_array_almost_equal(D12, D_true)
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# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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@pytest.mark.parametrize("metric_param_grid", METRICS_DEFAULT_PARAMS)
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@pytest.mark.parametrize("X1, X2", [(X1, X2), (X1_mmap, X2_mmap)])
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def test_pdist(metric_param_grid, X1, X2):
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metric, param_grid = metric_param_grid
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keys = param_grid.keys()
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for vals in itertools.product(*param_grid.values()):
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kwargs = dict(zip(keys, vals))
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if metric == "mahalanobis":
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# See: https://github.com/scipy/scipy/issues/13861
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pytest.xfail("scipy#13861: pdist with 'mahalanobis' fails onmemmap data")
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elif metric == "wminkowski":
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if sp_version >= parse_version("1.8.0"):
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pytest.skip("wminkowski will be removed in SciPy 1.8.0")
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# wminkoski is deprecated in SciPy 1.6.0 and removed in 1.8.0
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ExceptionToAssert = None
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if sp_version >= parse_version("1.6.0"):
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ExceptionToAssert = DeprecationWarning
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with pytest.warns(ExceptionToAssert):
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D_true = cdist(X1, X1, metric, **kwargs)
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else:
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D_true = cdist(X1, X1, metric, **kwargs)
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check_pdist(metric, kwargs, D_true)
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@pytest.mark.parametrize("metric", BOOL_METRICS)
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@pytest.mark.parametrize("X1_bool", [X1_bool, X1_bool_mmap])
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def test_pdist_bool_metrics(metric, X1_bool):
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D_true = cdist(X1_bool, X1_bool, metric)
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check_pdist_bool(metric, D_true)
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def check_pdist(metric, kwargs, D_true):
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dm = DistanceMetric.get_metric(metric, **kwargs)
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D12 = dm.pairwise(X1)
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assert_array_almost_equal(D12, D_true)
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def check_pdist_bool(metric, D_true):
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dm = DistanceMetric.get_metric(metric)
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D12 = dm.pairwise(X1_bool)
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# Based on https://github.com/scipy/scipy/pull/7373
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# When comparing two all-zero vectors, scipy>=1.2.0 jaccard metric
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# was changed to return 0, instead of nan.
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if metric == "jaccard" and sp_version < parse_version("1.2.0"):
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D_true[np.isnan(D_true)] = 0
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assert_array_almost_equal(D12, D_true)
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# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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@pytest.mark.parametrize("writable_kwargs", [True, False])
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@pytest.mark.parametrize("metric_param_grid", METRICS_DEFAULT_PARAMS)
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def test_pickle(writable_kwargs, metric_param_grid):
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metric, param_grid = metric_param_grid
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keys = param_grid.keys()
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for vals in itertools.product(*param_grid.values()):
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if any(isinstance(val, np.ndarray) for val in vals):
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vals = copy.deepcopy(vals)
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for val in vals:
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if isinstance(val, np.ndarray):
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val.setflags(write=writable_kwargs)
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kwargs = dict(zip(keys, vals))
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check_pickle(metric, kwargs)
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# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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@pytest.mark.parametrize("metric", BOOL_METRICS)
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@pytest.mark.parametrize("X1_bool", [X1_bool, X1_bool_mmap])
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def test_pickle_bool_metrics(metric, X1_bool):
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dm = DistanceMetric.get_metric(metric)
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D1 = dm.pairwise(X1_bool)
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dm2 = pickle.loads(pickle.dumps(dm))
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D2 = dm2.pairwise(X1_bool)
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assert_array_almost_equal(D1, D2)
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def check_pickle(metric, kwargs):
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dm = DistanceMetric.get_metric(metric, **kwargs)
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D1 = dm.pairwise(X1)
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dm2 = pickle.loads(pickle.dumps(dm))
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D2 = dm2.pairwise(X1)
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assert_array_almost_equal(D1, D2)
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def test_haversine_metric():
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def haversine_slow(x1, x2):
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return 2 * np.arcsin(
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np.sqrt(
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np.sin(0.5 * (x1[0] - x2[0])) ** 2
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+ np.cos(x1[0]) * np.cos(x2[0]) * np.sin(0.5 * (x1[1] - x2[1])) ** 2
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)
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)
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X = np.random.random((10, 2))
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haversine = DistanceMetric.get_metric("haversine")
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D1 = haversine.pairwise(X)
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D2 = np.zeros_like(D1)
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for i, x1 in enumerate(X):
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for j, x2 in enumerate(X):
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D2[i, j] = haversine_slow(x1, x2)
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assert_array_almost_equal(D1, D2)
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assert_array_almost_equal(haversine.dist_to_rdist(D1), np.sin(0.5 * D2) ** 2)
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def test_pyfunc_metric():
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X = np.random.random((10, 3))
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euclidean = DistanceMetric.get_metric("euclidean")
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pyfunc = DistanceMetric.get_metric("pyfunc", func=dist_func, p=2)
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# Check if both callable metric and predefined metric initialized
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# DistanceMetric object is picklable
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euclidean_pkl = pickle.loads(pickle.dumps(euclidean))
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pyfunc_pkl = pickle.loads(pickle.dumps(pyfunc))
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D1 = euclidean.pairwise(X)
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D2 = pyfunc.pairwise(X)
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D1_pkl = euclidean_pkl.pairwise(X)
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D2_pkl = pyfunc_pkl.pairwise(X)
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assert_array_almost_equal(D1, D2)
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assert_array_almost_equal(D1_pkl, D2_pkl)
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def test_input_data_size():
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# Regression test for #6288
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# Previously, a metric requiring a particular input dimension would fail
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def custom_metric(x, y):
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assert x.shape[0] == 3
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return np.sum((x - y) ** 2)
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rng = check_random_state(0)
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X = rng.rand(10, 3)
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pyfunc = DistanceMetric.get_metric("pyfunc", func=custom_metric)
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eucl = DistanceMetric.get_metric("euclidean")
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assert_array_almost_equal(pyfunc.pairwise(X), eucl.pairwise(X) ** 2)
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# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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def test_readonly_kwargs():
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# Non-regression test for:
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# https://github.com/scikit-learn/scikit-learn/issues/21685
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rng = check_random_state(0)
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weights = rng.rand(100)
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VI = rng.rand(10, 10)
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weights.setflags(write=False)
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VI.setflags(write=False)
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# Those distances metrics have to support readonly buffers.
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DistanceMetric.get_metric("seuclidean", V=weights)
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DistanceMetric.get_metric("wminkowski", p=1, w=weights)
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DistanceMetric.get_metric("mahalanobis", VI=VI)
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@pytest.mark.parametrize(
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"w, err_type, err_msg",
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[
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(np.array([1, 1.5, -13]), ValueError, "w cannot contain negative weights"),
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(np.array([1, 1.5, np.nan]), ValueError, "w contains NaN"),
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(
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sp.csr_matrix([1, 1.5, 1]),
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TypeError,
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"A sparse matrix was passed, but dense data is required",
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),
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(np.array(["a", "b", "c"]), ValueError, "could not convert string to float"),
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(np.array([]), ValueError, "a minimum of 1 is required"),
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],
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)
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def test_minkowski_metric_validate_weights_values(w, err_type, err_msg):
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with pytest.raises(err_type, match=err_msg):
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DistanceMetric.get_metric("minkowski", p=3, w=w)
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def test_minkowski_metric_validate_weights_size():
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w2 = rng.random_sample(d + 1)
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dm = DistanceMetric.get_metric("minkowski", p=3, w=w2)
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msg = (
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"MinkowskiDistance: the size of w must match "
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f"the number of features \\({X1.shape[1]}\\). "
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f"Currently len\\(w\\)={w2.shape[0]}."
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)
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with pytest.raises(ValueError, match=msg):
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dm.pairwise(X1, X2)
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# TODO: Remove in 1.3 when wminkowski is removed
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def test_wminkowski_deprecated():
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w = rng.random_sample(d)
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msg = "WMinkowskiDistance is deprecated in version 1.1"
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with pytest.warns(FutureWarning, match=msg):
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DistanceMetric.get_metric("wminkowski", p=3, w=w)
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# TODO: Remove in 1.3 when wminkowski is removed
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@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
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@pytest.mark.parametrize("p", [1, 1.5, 3])
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def test_wminkowski_minkowski_equivalence(p):
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w = rng.random_sample(d)
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# Weights are rescaled for consistency w.r.t scipy 1.8 refactoring of 'minkowski'
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dm_wmks = DistanceMetric.get_metric("wminkowski", p=p, w=(w) ** (1 / p))
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dm_mks = DistanceMetric.get_metric("minkowski", p=p, w=w)
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D_wmks = dm_wmks.pairwise(X1, X2)
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D_mks = dm_mks.pairwise(X1, X2)
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assert_array_almost_equal(D_wmks, D_mks)
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@@ -0,0 +1,551 @@
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import numpy as np
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import pytest
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import threadpoolctl
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from numpy.testing import assert_array_equal, assert_allclose
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from scipy.sparse import csr_matrix
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from scipy.spatial.distance import cdist
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from sklearn.metrics._pairwise_distances_reduction import (
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PairwiseDistancesReduction,
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||||
PairwiseDistancesArgKmin,
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||||
PairwiseDistancesRadiusNeighborhood,
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||||
_sqeuclidean_row_norms,
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||||
)
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||||
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||||
from sklearn.metrics import euclidean_distances
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from sklearn.utils.fixes import sp_version, parse_version
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||||
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||||
# Common supported metric between scipy.spatial.distance.cdist
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# and PairwiseDistancesReduction.
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# This allows constructing tests to check consistency of results
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# of concrete PairwiseDistancesReduction on some metrics using APIs
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# from scipy and numpy.
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CDIST_PAIRWISE_DISTANCES_REDUCTION_COMMON_METRICS = [
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"braycurtis",
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||||
"canberra",
|
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"chebyshev",
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||||
"cityblock",
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"euclidean",
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||||
"minkowski",
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"seuclidean",
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]
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||||
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||||
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||||
def _get_metric_params_list(metric: str, n_features: int, seed: int = 1):
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"""Return list of dummy DistanceMetric kwargs for tests."""
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# Distinguishing on cases not to compute unneeded datastructures.
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rng = np.random.RandomState(seed)
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if metric == "minkowski":
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minkowski_kwargs = [dict(p=1.5), dict(p=2), dict(p=3), dict(p=np.inf)]
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if sp_version >= parse_version("1.8.0.dev0"):
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||||
# TODO: remove the test once we no longer support scipy < 1.8.0.
|
||||
# Recent scipy versions accept weights in the Minkowski metric directly:
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# type: ignore
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minkowski_kwargs.append(dict(p=3, w=rng.rand(n_features)))
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||||
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return minkowski_kwargs
|
||||
|
||||
# TODO: remove this case for "wminkowski" once we no longer support scipy < 1.8.0.
|
||||
if metric == "wminkowski":
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weights = rng.random_sample(n_features)
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||||
weights /= weights.sum()
|
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wminkowski_kwargs = [dict(p=1.5, w=weights)]
|
||||
if sp_version < parse_version("1.8.0.dev0"):
|
||||
# wminkowski was removed in scipy 1.8.0 but should work for previous
|
||||
# versions.
|
||||
wminkowski_kwargs.append(dict(p=3, w=rng.rand(n_features)))
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||||
return wminkowski_kwargs
|
||||
|
||||
if metric == "seuclidean":
|
||||
return [dict(V=rng.rand(n_features))]
|
||||
|
||||
# Case of: "euclidean", "manhattan", "chebyshev", "haversine" or any other metric.
|
||||
# In those cases, no kwargs is needed.
|
||||
return [{}]
|
||||
|
||||
|
||||
def assert_argkmin_results_equality(ref_dist, dist, ref_indices, indices):
|
||||
assert_array_equal(
|
||||
ref_indices,
|
||||
indices,
|
||||
err_msg="Query vectors have different neighbors' indices",
|
||||
)
|
||||
assert_allclose(
|
||||
ref_dist,
|
||||
dist,
|
||||
err_msg="Query vectors have different neighbors' distances",
|
||||
rtol=1e-7,
|
||||
)
|
||||
|
||||
|
||||
def assert_radius_neighborhood_results_equality(ref_dist, dist, ref_indices, indices):
|
||||
# We get arrays of arrays and we need to check for individual pairs
|
||||
for i in range(ref_dist.shape[0]):
|
||||
assert_array_equal(
|
||||
ref_indices[i],
|
||||
indices[i],
|
||||
err_msg=f"Query vector #{i} has different neighbors' indices",
|
||||
)
|
||||
assert_allclose(
|
||||
ref_dist[i],
|
||||
dist[i],
|
||||
err_msg=f"Query vector #{i} has different neighbors' distances",
|
||||
rtol=1e-7,
|
||||
)
|
||||
|
||||
|
||||
ASSERT_RESULT = {
|
||||
PairwiseDistancesArgKmin: assert_argkmin_results_equality,
|
||||
PairwiseDistancesRadiusNeighborhood: assert_radius_neighborhood_results_equality,
|
||||
}
|
||||
|
||||
|
||||
def test_pairwise_distances_reduction_is_usable_for():
|
||||
rng = np.random.RandomState(0)
|
||||
X = rng.rand(100, 10)
|
||||
Y = rng.rand(100, 10)
|
||||
metric = "euclidean"
|
||||
assert PairwiseDistancesReduction.is_usable_for(X, Y, metric)
|
||||
assert not PairwiseDistancesReduction.is_usable_for(
|
||||
X.astype(np.int64), Y.astype(np.int64), metric
|
||||
)
|
||||
|
||||
assert not PairwiseDistancesReduction.is_usable_for(X, Y, metric="pyfunc")
|
||||
# TODO: remove once 32 bits datasets are supported
|
||||
assert not PairwiseDistancesReduction.is_usable_for(X.astype(np.float32), Y, metric)
|
||||
assert not PairwiseDistancesReduction.is_usable_for(X, Y.astype(np.int32), metric)
|
||||
|
||||
# TODO: remove once sparse matrices are supported
|
||||
assert not PairwiseDistancesReduction.is_usable_for(csr_matrix(X), Y, metric)
|
||||
assert not PairwiseDistancesReduction.is_usable_for(X, csr_matrix(Y), metric)
|
||||
|
||||
|
||||
def test_argkmin_factory_method_wrong_usages():
|
||||
rng = np.random.RandomState(1)
|
||||
X = rng.rand(100, 10)
|
||||
Y = rng.rand(100, 10)
|
||||
k = 5
|
||||
metric = "euclidean"
|
||||
|
||||
msg = (
|
||||
"Only 64bit float datasets are supported at this time, "
|
||||
"got: X.dtype=float32 and Y.dtype=float64"
|
||||
)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
PairwiseDistancesArgKmin.compute(
|
||||
X=X.astype(np.float32), Y=Y, k=k, metric=metric
|
||||
)
|
||||
|
||||
msg = (
|
||||
"Only 64bit float datasets are supported at this time, "
|
||||
"got: X.dtype=float64 and Y.dtype=int32"
|
||||
)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
PairwiseDistancesArgKmin.compute(X=X, Y=Y.astype(np.int32), k=k, metric=metric)
|
||||
|
||||
with pytest.raises(ValueError, match="k == -1, must be >= 1."):
|
||||
PairwiseDistancesArgKmin.compute(X=X, Y=Y, k=-1, metric=metric)
|
||||
|
||||
with pytest.raises(ValueError, match="k == 0, must be >= 1."):
|
||||
PairwiseDistancesArgKmin.compute(X=X, Y=Y, k=0, metric=metric)
|
||||
|
||||
with pytest.raises(ValueError, match="Unrecognized metric"):
|
||||
PairwiseDistancesArgKmin.compute(X=X, Y=Y, k=k, metric="wrong metric")
|
||||
|
||||
with pytest.raises(
|
||||
ValueError, match=r"Buffer has wrong number of dimensions \(expected 2, got 1\)"
|
||||
):
|
||||
PairwiseDistancesArgKmin.compute(
|
||||
X=np.array([1.0, 2.0]), Y=Y, k=k, metric=metric
|
||||
)
|
||||
|
||||
with pytest.raises(ValueError, match="ndarray is not C-contiguous"):
|
||||
PairwiseDistancesArgKmin.compute(
|
||||
X=np.asfortranarray(X), Y=Y, k=k, metric=metric
|
||||
)
|
||||
|
||||
unused_metric_kwargs = {"p": 3}
|
||||
|
||||
message = (
|
||||
r"Some metric_kwargs have been passed \({'p': 3}\) but aren't usable for this"
|
||||
r" case \("
|
||||
r"FastEuclideanPairwiseDistancesArgKmin\) and will be ignored."
|
||||
)
|
||||
|
||||
with pytest.warns(UserWarning, match=message):
|
||||
PairwiseDistancesArgKmin.compute(
|
||||
X=X, Y=Y, k=k, metric=metric, metric_kwargs=unused_metric_kwargs
|
||||
)
|
||||
|
||||
|
||||
def test_radius_neighborhood_factory_method_wrong_usages():
|
||||
rng = np.random.RandomState(1)
|
||||
X = rng.rand(100, 10)
|
||||
Y = rng.rand(100, 10)
|
||||
radius = 5
|
||||
metric = "euclidean"
|
||||
|
||||
with pytest.raises(
|
||||
ValueError,
|
||||
match=(
|
||||
"Only 64bit float datasets are supported at this time, "
|
||||
"got: X.dtype=float32 and Y.dtype=float64"
|
||||
),
|
||||
):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=X.astype(np.float32), Y=Y, radius=radius, metric=metric
|
||||
)
|
||||
|
||||
with pytest.raises(
|
||||
ValueError,
|
||||
match=(
|
||||
"Only 64bit float datasets are supported at this time, "
|
||||
"got: X.dtype=float64 and Y.dtype=int32"
|
||||
),
|
||||
):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=X, Y=Y.astype(np.int32), radius=radius, metric=metric
|
||||
)
|
||||
|
||||
with pytest.raises(ValueError, match="radius == -1.0, must be >= 0."):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(X=X, Y=Y, radius=-1, metric=metric)
|
||||
|
||||
with pytest.raises(ValueError, match="Unrecognized metric"):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=X, Y=Y, radius=radius, metric="wrong metric"
|
||||
)
|
||||
|
||||
with pytest.raises(
|
||||
ValueError, match=r"Buffer has wrong number of dimensions \(expected 2, got 1\)"
|
||||
):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=np.array([1.0, 2.0]), Y=Y, radius=radius, metric=metric
|
||||
)
|
||||
|
||||
with pytest.raises(ValueError, match="ndarray is not C-contiguous"):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=np.asfortranarray(X), Y=Y, radius=radius, metric=metric
|
||||
)
|
||||
|
||||
unused_metric_kwargs = {"p": 3}
|
||||
|
||||
message = (
|
||||
r"Some metric_kwargs have been passed \({'p': 3}\) but aren't usable for this"
|
||||
r" case \(FastEuclideanPairwiseDistancesRadiusNeighborhood\) and will be"
|
||||
r" ignored."
|
||||
)
|
||||
|
||||
with pytest.warns(UserWarning, match=message):
|
||||
PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X=X, Y=Y, radius=radius, metric=metric, metric_kwargs=unused_metric_kwargs
|
||||
)
|
||||
|
||||
|
||||
@pytest.mark.parametrize("n_samples", [100, 1000])
|
||||
@pytest.mark.parametrize("chunk_size", [50, 512, 1024])
|
||||
@pytest.mark.parametrize(
|
||||
"PairwiseDistancesReduction",
|
||||
[PairwiseDistancesArgKmin, PairwiseDistancesRadiusNeighborhood],
|
||||
)
|
||||
def test_chunk_size_agnosticism(
|
||||
global_random_seed,
|
||||
PairwiseDistancesReduction,
|
||||
n_samples,
|
||||
chunk_size,
|
||||
n_features=100,
|
||||
dtype=np.float64,
|
||||
):
|
||||
# Results should not depend on the chunk size
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 100
|
||||
X = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
Y = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
parameter = (
|
||||
10
|
||||
if PairwiseDistancesReduction is PairwiseDistancesArgKmin
|
||||
# Scaling the radius slightly with the numbers of dimensions
|
||||
else 10 ** np.log(n_features)
|
||||
)
|
||||
|
||||
ref_dist, ref_indices = PairwiseDistancesReduction.compute(
|
||||
X,
|
||||
Y,
|
||||
parameter,
|
||||
return_distance=True,
|
||||
)
|
||||
|
||||
dist, indices = PairwiseDistancesReduction.compute(
|
||||
X,
|
||||
Y,
|
||||
parameter,
|
||||
chunk_size=chunk_size,
|
||||
return_distance=True,
|
||||
)
|
||||
|
||||
ASSERT_RESULT[PairwiseDistancesReduction](ref_dist, dist, ref_indices, indices)
|
||||
|
||||
|
||||
@pytest.mark.parametrize("n_samples", [100, 1000])
|
||||
@pytest.mark.parametrize("chunk_size", [50, 512, 1024])
|
||||
@pytest.mark.parametrize(
|
||||
"PairwiseDistancesReduction",
|
||||
[PairwiseDistancesArgKmin, PairwiseDistancesRadiusNeighborhood],
|
||||
)
|
||||
def test_n_threads_agnosticism(
|
||||
global_random_seed,
|
||||
PairwiseDistancesReduction,
|
||||
n_samples,
|
||||
chunk_size,
|
||||
n_features=100,
|
||||
dtype=np.float64,
|
||||
):
|
||||
# Results should not depend on the number of threads
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 100
|
||||
X = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
Y = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
parameter = (
|
||||
10
|
||||
if PairwiseDistancesReduction is PairwiseDistancesArgKmin
|
||||
# Scaling the radius slightly with the numbers of dimensions
|
||||
else 10 ** np.log(n_features)
|
||||
)
|
||||
|
||||
ref_dist, ref_indices = PairwiseDistancesReduction.compute(
|
||||
X,
|
||||
Y,
|
||||
parameter,
|
||||
return_distance=True,
|
||||
)
|
||||
|
||||
with threadpoolctl.threadpool_limits(limits=1, user_api="openmp"):
|
||||
dist, indices = PairwiseDistancesReduction.compute(
|
||||
X, Y, parameter, return_distance=True
|
||||
)
|
||||
|
||||
ASSERT_RESULT[PairwiseDistancesReduction](ref_dist, dist, ref_indices, indices)
|
||||
|
||||
|
||||
# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
|
||||
@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
|
||||
@pytest.mark.parametrize("n_samples", [100, 1000])
|
||||
@pytest.mark.parametrize("metric", PairwiseDistancesReduction.valid_metrics())
|
||||
@pytest.mark.parametrize(
|
||||
"PairwiseDistancesReduction",
|
||||
[PairwiseDistancesArgKmin, PairwiseDistancesRadiusNeighborhood],
|
||||
)
|
||||
def test_strategies_consistency(
|
||||
global_random_seed,
|
||||
PairwiseDistancesReduction,
|
||||
metric,
|
||||
n_samples,
|
||||
n_features=10,
|
||||
dtype=np.float64,
|
||||
):
|
||||
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 100
|
||||
X = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
Y = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
# Haversine distance only accepts 2D data
|
||||
if metric == "haversine":
|
||||
X = np.ascontiguousarray(X[:, :2])
|
||||
Y = np.ascontiguousarray(Y[:, :2])
|
||||
|
||||
parameter = (
|
||||
10
|
||||
if PairwiseDistancesReduction is PairwiseDistancesArgKmin
|
||||
# Scaling the radius slightly with the numbers of dimensions
|
||||
else 10 ** np.log(n_features)
|
||||
)
|
||||
|
||||
dist_par_X, indices_par_X = PairwiseDistancesReduction.compute(
|
||||
X,
|
||||
Y,
|
||||
parameter,
|
||||
metric=metric,
|
||||
# Taking the first
|
||||
metric_kwargs=_get_metric_params_list(
|
||||
metric, n_features, seed=global_random_seed
|
||||
)[0],
|
||||
# To be sure to use parallelization
|
||||
chunk_size=n_samples // 4,
|
||||
strategy="parallel_on_X",
|
||||
return_distance=True,
|
||||
)
|
||||
|
||||
dist_par_Y, indices_par_Y = PairwiseDistancesReduction.compute(
|
||||
X,
|
||||
Y,
|
||||
parameter,
|
||||
metric=metric,
|
||||
# Taking the first
|
||||
metric_kwargs=_get_metric_params_list(
|
||||
metric, n_features, seed=global_random_seed
|
||||
)[0],
|
||||
# To be sure to use parallelization
|
||||
chunk_size=n_samples // 4,
|
||||
strategy="parallel_on_Y",
|
||||
return_distance=True,
|
||||
)
|
||||
|
||||
ASSERT_RESULT[PairwiseDistancesReduction](
|
||||
dist_par_X,
|
||||
dist_par_Y,
|
||||
indices_par_X,
|
||||
indices_par_Y,
|
||||
)
|
||||
|
||||
|
||||
# "Concrete PairwiseDistancesReductions"-specific tests
|
||||
|
||||
# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
|
||||
@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
|
||||
@pytest.mark.parametrize("n_features", [50, 500])
|
||||
@pytest.mark.parametrize("translation", [0, 1e6])
|
||||
@pytest.mark.parametrize("metric", CDIST_PAIRWISE_DISTANCES_REDUCTION_COMMON_METRICS)
|
||||
@pytest.mark.parametrize("strategy", ("parallel_on_X", "parallel_on_Y"))
|
||||
def test_pairwise_distances_argkmin(
|
||||
global_random_seed,
|
||||
n_features,
|
||||
translation,
|
||||
metric,
|
||||
strategy,
|
||||
n_samples=100,
|
||||
k=10,
|
||||
dtype=np.float64,
|
||||
):
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 1000
|
||||
X = translation + rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
Y = translation + rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
# Haversine distance only accepts 2D data
|
||||
if metric == "haversine":
|
||||
X = np.ascontiguousarray(X[:, :2])
|
||||
Y = np.ascontiguousarray(Y[:, :2])
|
||||
|
||||
metric_kwargs = _get_metric_params_list(metric, n_features)[0]
|
||||
|
||||
# Reference for argkmin results
|
||||
if metric == "euclidean":
|
||||
# Compare to scikit-learn GEMM optimized implementation
|
||||
dist_matrix = euclidean_distances(X, Y)
|
||||
else:
|
||||
dist_matrix = cdist(X, Y, metric=metric, **metric_kwargs)
|
||||
# Taking argkmin (indices of the k smallest values)
|
||||
argkmin_indices_ref = np.argsort(dist_matrix, axis=1)[:, :k]
|
||||
# Getting the associated distances
|
||||
argkmin_distances_ref = np.zeros(argkmin_indices_ref.shape, dtype=np.float64)
|
||||
for row_idx in range(argkmin_indices_ref.shape[0]):
|
||||
argkmin_distances_ref[row_idx] = dist_matrix[
|
||||
row_idx, argkmin_indices_ref[row_idx]
|
||||
]
|
||||
|
||||
argkmin_distances, argkmin_indices = PairwiseDistancesArgKmin.compute(
|
||||
X,
|
||||
Y,
|
||||
k,
|
||||
metric=metric,
|
||||
metric_kwargs=metric_kwargs,
|
||||
return_distance=True,
|
||||
# So as to have more than a chunk, forcing parallelism.
|
||||
chunk_size=n_samples // 4,
|
||||
strategy=strategy,
|
||||
)
|
||||
|
||||
ASSERT_RESULT[PairwiseDistancesArgKmin](
|
||||
argkmin_distances, argkmin_distances_ref, argkmin_indices, argkmin_indices_ref
|
||||
)
|
||||
|
||||
|
||||
# TODO: Remove filterwarnings in 1.3 when wminkowski is removed
|
||||
@pytest.mark.filterwarnings("ignore:WMinkowskiDistance:FutureWarning:sklearn")
|
||||
@pytest.mark.parametrize("n_features", [50, 500])
|
||||
@pytest.mark.parametrize("translation", [0, 1e6])
|
||||
@pytest.mark.parametrize("metric", CDIST_PAIRWISE_DISTANCES_REDUCTION_COMMON_METRICS)
|
||||
@pytest.mark.parametrize("strategy", ("parallel_on_X", "parallel_on_Y"))
|
||||
def test_pairwise_distances_radius_neighbors(
|
||||
global_random_seed,
|
||||
n_features,
|
||||
translation,
|
||||
metric,
|
||||
strategy,
|
||||
n_samples=100,
|
||||
dtype=np.float64,
|
||||
):
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 1000
|
||||
radius = spread * np.log(n_features)
|
||||
X = translation + rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
Y = translation + rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
metric_kwargs = _get_metric_params_list(
|
||||
metric, n_features, seed=global_random_seed
|
||||
)[0]
|
||||
|
||||
# Reference for argkmin results
|
||||
if metric == "euclidean":
|
||||
# Compare to scikit-learn GEMM optimized implementation
|
||||
dist_matrix = euclidean_distances(X, Y)
|
||||
else:
|
||||
dist_matrix = cdist(X, Y, metric=metric, **metric_kwargs)
|
||||
|
||||
# Getting the neighbors for a given radius
|
||||
neigh_indices_ref = []
|
||||
neigh_distances_ref = []
|
||||
|
||||
for row in dist_matrix:
|
||||
ind = np.arange(row.shape[0])[row <= radius]
|
||||
dist = row[ind]
|
||||
|
||||
sort = np.argsort(dist)
|
||||
ind, dist = ind[sort], dist[sort]
|
||||
|
||||
neigh_indices_ref.append(ind)
|
||||
neigh_distances_ref.append(dist)
|
||||
|
||||
neigh_indices_ref = np.array(neigh_indices_ref)
|
||||
neigh_distances_ref = np.array(neigh_distances_ref)
|
||||
|
||||
neigh_distances, neigh_indices = PairwiseDistancesRadiusNeighborhood.compute(
|
||||
X,
|
||||
Y,
|
||||
radius,
|
||||
metric=metric,
|
||||
metric_kwargs=metric_kwargs,
|
||||
return_distance=True,
|
||||
# So as to have more than a chunk, forcing parallelism.
|
||||
chunk_size=n_samples // 4,
|
||||
strategy=strategy,
|
||||
sort_results=True,
|
||||
)
|
||||
|
||||
ASSERT_RESULT[PairwiseDistancesRadiusNeighborhood](
|
||||
neigh_distances, neigh_distances_ref, neigh_indices, neigh_indices_ref
|
||||
)
|
||||
|
||||
|
||||
@pytest.mark.parametrize("n_samples", [100, 1000])
|
||||
@pytest.mark.parametrize("n_features", [5, 10, 100])
|
||||
@pytest.mark.parametrize("num_threads", [1, 2, 8])
|
||||
def test_sqeuclidean_row_norms(
|
||||
global_random_seed,
|
||||
n_samples,
|
||||
n_features,
|
||||
num_threads,
|
||||
dtype=np.float64,
|
||||
):
|
||||
rng = np.random.RandomState(global_random_seed)
|
||||
spread = 100
|
||||
X = rng.rand(n_samples, n_features).astype(dtype) * spread
|
||||
|
||||
sq_row_norm_reference = np.linalg.norm(X, axis=1) ** 2
|
||||
sq_row_norm = np.asarray(_sqeuclidean_row_norms(X, num_threads=num_threads))
|
||||
|
||||
assert_allclose(sq_row_norm_reference, sq_row_norm)
|
||||
File diff suppressed because it is too large
Load Diff
@@ -0,0 +1,615 @@
|
||||
import numpy as np
|
||||
from scipy import optimize
|
||||
from numpy.testing import assert_allclose
|
||||
from scipy.special import factorial, xlogy
|
||||
from itertools import product
|
||||
import pytest
|
||||
|
||||
from sklearn.utils._testing import assert_almost_equal
|
||||
from sklearn.utils._testing import assert_array_equal
|
||||
from sklearn.utils._testing import assert_array_almost_equal
|
||||
from sklearn.dummy import DummyRegressor
|
||||
from sklearn.model_selection import GridSearchCV
|
||||
|
||||
from sklearn.metrics import explained_variance_score
|
||||
from sklearn.metrics import mean_absolute_error
|
||||
from sklearn.metrics import mean_squared_error
|
||||
from sklearn.metrics import mean_squared_log_error
|
||||
from sklearn.metrics import median_absolute_error
|
||||
from sklearn.metrics import mean_absolute_percentage_error
|
||||
from sklearn.metrics import max_error
|
||||
from sklearn.metrics import mean_pinball_loss
|
||||
from sklearn.metrics import r2_score
|
||||
from sklearn.metrics import mean_tweedie_deviance
|
||||
from sklearn.metrics import d2_tweedie_score
|
||||
from sklearn.metrics import d2_pinball_score
|
||||
from sklearn.metrics import d2_absolute_error_score
|
||||
from sklearn.metrics import make_scorer
|
||||
|
||||
from sklearn.metrics._regression import _check_reg_targets
|
||||
|
||||
from sklearn.exceptions import UndefinedMetricWarning
|
||||
|
||||
|
||||
def test_regression_metrics(n_samples=50):
|
||||
y_true = np.arange(n_samples)
|
||||
y_pred = y_true + 1
|
||||
y_pred_2 = y_true - 1
|
||||
|
||||
assert_almost_equal(mean_squared_error(y_true, y_pred), 1.0)
|
||||
assert_almost_equal(
|
||||
mean_squared_log_error(y_true, y_pred),
|
||||
mean_squared_error(np.log(1 + y_true), np.log(1 + y_pred)),
|
||||
)
|
||||
assert_almost_equal(mean_absolute_error(y_true, y_pred), 1.0)
|
||||
assert_almost_equal(mean_pinball_loss(y_true, y_pred), 0.5)
|
||||
assert_almost_equal(mean_pinball_loss(y_true, y_pred_2), 0.5)
|
||||
assert_almost_equal(mean_pinball_loss(y_true, y_pred, alpha=0.4), 0.6)
|
||||
assert_almost_equal(mean_pinball_loss(y_true, y_pred_2, alpha=0.4), 0.4)
|
||||
assert_almost_equal(median_absolute_error(y_true, y_pred), 1.0)
|
||||
mape = mean_absolute_percentage_error(y_true, y_pred)
|
||||
assert np.isfinite(mape)
|
||||
assert mape > 1e6
|
||||
assert_almost_equal(max_error(y_true, y_pred), 1.0)
|
||||
assert_almost_equal(r2_score(y_true, y_pred), 0.995, 2)
|
||||
assert_almost_equal(r2_score(y_true, y_pred, force_finite=False), 0.995, 2)
|
||||
assert_almost_equal(explained_variance_score(y_true, y_pred), 1.0)
|
||||
assert_almost_equal(
|
||||
explained_variance_score(y_true, y_pred, force_finite=False), 1.0
|
||||
)
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=0),
|
||||
mean_squared_error(y_true, y_pred),
|
||||
)
|
||||
assert_almost_equal(
|
||||
d2_tweedie_score(y_true, y_pred, power=0), r2_score(y_true, y_pred)
|
||||
)
|
||||
dev_median = np.abs(y_true - np.median(y_true)).sum()
|
||||
assert_array_almost_equal(
|
||||
d2_absolute_error_score(y_true, y_pred),
|
||||
1 - np.abs(y_true - y_pred).sum() / dev_median,
|
||||
)
|
||||
alpha = 0.2
|
||||
pinball_loss = lambda y_true, y_pred, alpha: alpha * np.maximum(
|
||||
y_true - y_pred, 0
|
||||
) + (1 - alpha) * np.maximum(y_pred - y_true, 0)
|
||||
y_quantile = np.percentile(y_true, q=alpha * 100)
|
||||
assert_almost_equal(
|
||||
d2_pinball_score(y_true, y_pred, alpha=alpha),
|
||||
1
|
||||
- pinball_loss(y_true, y_pred, alpha).sum()
|
||||
/ pinball_loss(y_true, y_quantile, alpha).sum(),
|
||||
)
|
||||
assert_almost_equal(
|
||||
d2_absolute_error_score(y_true, y_pred),
|
||||
d2_pinball_score(y_true, y_pred, alpha=0.5),
|
||||
)
|
||||
|
||||
# Tweedie deviance needs positive y_pred, except for p=0,
|
||||
# p>=2 needs positive y_true
|
||||
# results evaluated by sympy
|
||||
y_true = np.arange(1, 1 + n_samples)
|
||||
y_pred = 2 * y_true
|
||||
n = n_samples
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=-1),
|
||||
5 / 12 * n * (n**2 + 2 * n + 1),
|
||||
)
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=1), (n + 1) * (1 - np.log(2))
|
||||
)
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=2), 2 * np.log(2) - 1
|
||||
)
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=3 / 2),
|
||||
((6 * np.sqrt(2) - 8) / n) * np.sqrt(y_true).sum(),
|
||||
)
|
||||
assert_almost_equal(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=3), np.sum(1 / y_true) / (4 * n)
|
||||
)
|
||||
|
||||
dev_mean = 2 * np.mean(xlogy(y_true, 2 * y_true / (n + 1)))
|
||||
assert_almost_equal(
|
||||
d2_tweedie_score(y_true, y_pred, power=1),
|
||||
1 - (n + 1) * (1 - np.log(2)) / dev_mean,
|
||||
)
|
||||
|
||||
dev_mean = 2 * np.log((n + 1) / 2) - 2 / n * np.log(factorial(n))
|
||||
assert_almost_equal(
|
||||
d2_tweedie_score(y_true, y_pred, power=2), 1 - (2 * np.log(2) - 1) / dev_mean
|
||||
)
|
||||
|
||||
|
||||
def test_mean_squared_error_multioutput_raw_value_squared():
|
||||
# non-regression test for
|
||||
# https://github.com/scikit-learn/scikit-learn/pull/16323
|
||||
mse1 = mean_squared_error([[1]], [[10]], multioutput="raw_values", squared=True)
|
||||
mse2 = mean_squared_error([[1]], [[10]], multioutput="raw_values", squared=False)
|
||||
assert np.sqrt(mse1) == pytest.approx(mse2)
|
||||
|
||||
|
||||
def test_multioutput_regression():
|
||||
y_true = np.array([[1, 0, 0, 1], [0, 1, 1, 1], [1, 1, 0, 1]])
|
||||
y_pred = np.array([[0, 0, 0, 1], [1, 0, 1, 1], [0, 0, 0, 1]])
|
||||
|
||||
error = mean_squared_error(y_true, y_pred)
|
||||
assert_almost_equal(error, (1.0 / 3 + 2.0 / 3 + 2.0 / 3) / 4.0)
|
||||
|
||||
error = mean_squared_error(y_true, y_pred, squared=False)
|
||||
assert_almost_equal(error, 0.454, decimal=2)
|
||||
|
||||
error = mean_squared_log_error(y_true, y_pred)
|
||||
assert_almost_equal(error, 0.200, decimal=2)
|
||||
|
||||
# mean_absolute_error and mean_squared_error are equal because
|
||||
# it is a binary problem.
|
||||
error = mean_absolute_error(y_true, y_pred)
|
||||
assert_almost_equal(error, (1.0 + 2.0 / 3) / 4.0)
|
||||
|
||||
error = mean_pinball_loss(y_true, y_pred)
|
||||
assert_almost_equal(error, (1.0 + 2.0 / 3) / 8.0)
|
||||
|
||||
error = np.around(mean_absolute_percentage_error(y_true, y_pred), decimals=2)
|
||||
assert np.isfinite(error)
|
||||
assert error > 1e6
|
||||
error = median_absolute_error(y_true, y_pred)
|
||||
assert_almost_equal(error, (1.0 + 1.0) / 4.0)
|
||||
|
||||
error = r2_score(y_true, y_pred, multioutput="variance_weighted")
|
||||
assert_almost_equal(error, 1.0 - 5.0 / 2)
|
||||
error = r2_score(y_true, y_pred, multioutput="uniform_average")
|
||||
assert_almost_equal(error, -0.875)
|
||||
|
||||
score = d2_pinball_score(y_true, y_pred, alpha=0.5, multioutput="raw_values")
|
||||
raw_expected_score = [
|
||||
1
|
||||
- np.abs(y_true[:, i] - y_pred[:, i]).sum()
|
||||
/ np.abs(y_true[:, i] - np.median(y_true[:, i])).sum()
|
||||
for i in range(y_true.shape[1])
|
||||
]
|
||||
# in the last case, the denominator vanishes and hence we get nan,
|
||||
# but since the numerator vanishes as well the expected score is 1.0
|
||||
raw_expected_score = np.where(np.isnan(raw_expected_score), 1, raw_expected_score)
|
||||
assert_array_almost_equal(score, raw_expected_score)
|
||||
|
||||
score = d2_pinball_score(y_true, y_pred, alpha=0.5, multioutput="uniform_average")
|
||||
assert_almost_equal(score, raw_expected_score.mean())
|
||||
# constant `y_true` with force_finite=True leads to 1. or 0.
|
||||
yc = [5.0, 5.0]
|
||||
error = r2_score(yc, [5.0, 5.0], multioutput="variance_weighted")
|
||||
assert_almost_equal(error, 1.0)
|
||||
error = r2_score(yc, [5.0, 5.1], multioutput="variance_weighted")
|
||||
assert_almost_equal(error, 0.0)
|
||||
|
||||
# Setting force_finite=False results in the nan for 4th output propagating
|
||||
error = r2_score(
|
||||
y_true, y_pred, multioutput="variance_weighted", force_finite=False
|
||||
)
|
||||
assert_almost_equal(error, np.nan)
|
||||
error = r2_score(y_true, y_pred, multioutput="uniform_average", force_finite=False)
|
||||
assert_almost_equal(error, np.nan)
|
||||
|
||||
# Dropping the 4th output to check `force_finite=False` for nominal
|
||||
y_true = y_true[:, :-1]
|
||||
y_pred = y_pred[:, :-1]
|
||||
error = r2_score(y_true, y_pred, multioutput="variance_weighted")
|
||||
error2 = r2_score(
|
||||
y_true, y_pred, multioutput="variance_weighted", force_finite=False
|
||||
)
|
||||
assert_almost_equal(error, error2)
|
||||
error = r2_score(y_true, y_pred, multioutput="uniform_average")
|
||||
error2 = r2_score(y_true, y_pred, multioutput="uniform_average", force_finite=False)
|
||||
assert_almost_equal(error, error2)
|
||||
|
||||
# constant `y_true` with force_finite=False leads to NaN or -Inf.
|
||||
error = r2_score(
|
||||
yc, [5.0, 5.0], multioutput="variance_weighted", force_finite=False
|
||||
)
|
||||
assert_almost_equal(error, np.nan)
|
||||
error = r2_score(
|
||||
yc, [5.0, 6.0], multioutput="variance_weighted", force_finite=False
|
||||
)
|
||||
assert_almost_equal(error, -np.inf)
|
||||
|
||||
|
||||
def test_regression_metrics_at_limits():
|
||||
# Single-sample case
|
||||
# Note: for r2 and d2_tweedie see also test_regression_single_sample
|
||||
assert_almost_equal(mean_squared_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(mean_squared_error([0.0], [0.0], squared=False), 0.0)
|
||||
assert_almost_equal(mean_squared_log_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(mean_absolute_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(mean_pinball_loss([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(mean_absolute_percentage_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(median_absolute_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(max_error([0.0], [0.0]), 0.0)
|
||||
assert_almost_equal(explained_variance_score([0.0], [0.0]), 1.0)
|
||||
|
||||
# Perfect cases
|
||||
assert_almost_equal(r2_score([0.0, 1], [0.0, 1]), 1.0)
|
||||
assert_almost_equal(d2_pinball_score([0.0, 1], [0.0, 1]), 1.0)
|
||||
|
||||
# Non-finite cases
|
||||
# R² and explained variance have a fix by default for non-finite cases
|
||||
for s in (r2_score, explained_variance_score):
|
||||
assert_almost_equal(s([0, 0], [1, -1]), 0.0)
|
||||
assert_almost_equal(s([0, 0], [1, -1], force_finite=False), -np.inf)
|
||||
assert_almost_equal(s([1, 1], [1, 1]), 1.0)
|
||||
assert_almost_equal(s([1, 1], [1, 1], force_finite=False), np.nan)
|
||||
msg = (
|
||||
"Mean Squared Logarithmic Error cannot be used when targets "
|
||||
"contain negative values."
|
||||
)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_squared_log_error([-1.0], [-1.0])
|
||||
msg = (
|
||||
"Mean Squared Logarithmic Error cannot be used when targets "
|
||||
"contain negative values."
|
||||
)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_squared_log_error([1.0, 2.0, 3.0], [1.0, -2.0, 3.0])
|
||||
msg = (
|
||||
"Mean Squared Logarithmic Error cannot be used when targets "
|
||||
"contain negative values."
|
||||
)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_squared_log_error([1.0, -2.0, 3.0], [1.0, 2.0, 3.0])
|
||||
|
||||
# Tweedie deviance error
|
||||
power = -1.2
|
||||
assert_allclose(
|
||||
mean_tweedie_deviance([0], [1.0], power=power), 2 / (2 - power), rtol=1e-3
|
||||
)
|
||||
msg = "can only be used on strictly positive y_pred."
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
assert_almost_equal(mean_tweedie_deviance([0.0], [0.0], power=0), 0.0, 2)
|
||||
|
||||
power = 1.0
|
||||
msg = "only be used on non-negative y and strictly positive y_pred."
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
power = 1.5
|
||||
assert_allclose(mean_tweedie_deviance([0.0], [1.0], power=power), 2 / (2 - power))
|
||||
msg = "only be used on non-negative y and strictly positive y_pred."
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
power = 2.0
|
||||
assert_allclose(mean_tweedie_deviance([1.0], [1.0], power=power), 0.00, atol=1e-8)
|
||||
msg = "can only be used on strictly positive y and y_pred."
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
power = 3.0
|
||||
assert_allclose(mean_tweedie_deviance([1.0], [1.0], power=power), 0.00, atol=1e-8)
|
||||
msg = "can only be used on strictly positive y and y_pred."
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match=msg):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
power = 0.5
|
||||
with pytest.raises(ValueError, match="is only defined for power<=0 and power>=1"):
|
||||
mean_tweedie_deviance([0.0], [0.0], power=power)
|
||||
with pytest.raises(ValueError, match="is only defined for power<=0 and power>=1"):
|
||||
d2_tweedie_score([0.0] * 2, [0.0] * 2, power=power)
|
||||
|
||||
|
||||
def test__check_reg_targets():
|
||||
# All of length 3
|
||||
EXAMPLES = [
|
||||
("continuous", [1, 2, 3], 1),
|
||||
("continuous", [[1], [2], [3]], 1),
|
||||
("continuous-multioutput", [[1, 1], [2, 2], [3, 1]], 2),
|
||||
("continuous-multioutput", [[5, 1], [4, 2], [3, 1]], 2),
|
||||
("continuous-multioutput", [[1, 3, 4], [2, 2, 2], [3, 1, 1]], 3),
|
||||
]
|
||||
|
||||
for (type1, y1, n_out1), (type2, y2, n_out2) in product(EXAMPLES, repeat=2):
|
||||
|
||||
if type1 == type2 and n_out1 == n_out2:
|
||||
y_type, y_check1, y_check2, multioutput = _check_reg_targets(y1, y2, None)
|
||||
assert type1 == y_type
|
||||
if type1 == "continuous":
|
||||
assert_array_equal(y_check1, np.reshape(y1, (-1, 1)))
|
||||
assert_array_equal(y_check2, np.reshape(y2, (-1, 1)))
|
||||
else:
|
||||
assert_array_equal(y_check1, y1)
|
||||
assert_array_equal(y_check2, y2)
|
||||
else:
|
||||
with pytest.raises(ValueError):
|
||||
_check_reg_targets(y1, y2, None)
|
||||
|
||||
|
||||
def test__check_reg_targets_exception():
|
||||
invalid_multioutput = "this_value_is_not_valid"
|
||||
expected_message = (
|
||||
"Allowed 'multioutput' string values are.+You provided multioutput={!r}".format(
|
||||
invalid_multioutput
|
||||
)
|
||||
)
|
||||
with pytest.raises(ValueError, match=expected_message):
|
||||
_check_reg_targets([1, 2, 3], [[1], [2], [3]], invalid_multioutput)
|
||||
|
||||
|
||||
def test_regression_multioutput_array():
|
||||
y_true = [[1, 2], [2.5, -1], [4.5, 3], [5, 7]]
|
||||
y_pred = [[1, 1], [2, -1], [5, 4], [5, 6.5]]
|
||||
|
||||
mse = mean_squared_error(y_true, y_pred, multioutput="raw_values")
|
||||
mae = mean_absolute_error(y_true, y_pred, multioutput="raw_values")
|
||||
err_msg = (
|
||||
"multioutput is expected to be 'raw_values' "
|
||||
"or 'uniform_average' but we got 'variance_weighted' instead."
|
||||
)
|
||||
with pytest.raises(ValueError, match=err_msg):
|
||||
mean_pinball_loss(y_true, y_pred, multioutput="variance_weighted")
|
||||
|
||||
with pytest.raises(ValueError, match=err_msg):
|
||||
d2_pinball_score(y_true, y_pred, multioutput="variance_weighted")
|
||||
|
||||
pbl = mean_pinball_loss(y_true, y_pred, multioutput="raw_values")
|
||||
mape = mean_absolute_percentage_error(y_true, y_pred, multioutput="raw_values")
|
||||
r = r2_score(y_true, y_pred, multioutput="raw_values")
|
||||
evs = explained_variance_score(y_true, y_pred, multioutput="raw_values")
|
||||
d2ps = d2_pinball_score(y_true, y_pred, alpha=0.5, multioutput="raw_values")
|
||||
evs2 = explained_variance_score(
|
||||
y_true, y_pred, multioutput="raw_values", force_finite=False
|
||||
)
|
||||
|
||||
assert_array_almost_equal(mse, [0.125, 0.5625], decimal=2)
|
||||
assert_array_almost_equal(mae, [0.25, 0.625], decimal=2)
|
||||
assert_array_almost_equal(pbl, [0.25 / 2, 0.625 / 2], decimal=2)
|
||||
assert_array_almost_equal(mape, [0.0778, 0.2262], decimal=2)
|
||||
assert_array_almost_equal(r, [0.95, 0.93], decimal=2)
|
||||
assert_array_almost_equal(evs, [0.95, 0.93], decimal=2)
|
||||
assert_array_almost_equal(d2ps, [0.833, 0.722], decimal=2)
|
||||
assert_array_almost_equal(evs2, [0.95, 0.93], decimal=2)
|
||||
|
||||
# mean_absolute_error and mean_squared_error are equal because
|
||||
# it is a binary problem.
|
||||
y_true = [[0, 0]] * 4
|
||||
y_pred = [[1, 1]] * 4
|
||||
mse = mean_squared_error(y_true, y_pred, multioutput="raw_values")
|
||||
mae = mean_absolute_error(y_true, y_pred, multioutput="raw_values")
|
||||
pbl = mean_pinball_loss(y_true, y_pred, multioutput="raw_values")
|
||||
r = r2_score(y_true, y_pred, multioutput="raw_values")
|
||||
d2ps = d2_pinball_score(y_true, y_pred, multioutput="raw_values")
|
||||
assert_array_almost_equal(mse, [1.0, 1.0], decimal=2)
|
||||
assert_array_almost_equal(mae, [1.0, 1.0], decimal=2)
|
||||
assert_array_almost_equal(pbl, [0.5, 0.5], decimal=2)
|
||||
assert_array_almost_equal(r, [0.0, 0.0], decimal=2)
|
||||
assert_array_almost_equal(d2ps, [0.0, 0.0], decimal=2)
|
||||
|
||||
r = r2_score([[0, -1], [0, 1]], [[2, 2], [1, 1]], multioutput="raw_values")
|
||||
assert_array_almost_equal(r, [0, -3.5], decimal=2)
|
||||
assert np.mean(r) == r2_score(
|
||||
[[0, -1], [0, 1]], [[2, 2], [1, 1]], multioutput="uniform_average"
|
||||
)
|
||||
evs = explained_variance_score(
|
||||
[[0, -1], [0, 1]], [[2, 2], [1, 1]], multioutput="raw_values"
|
||||
)
|
||||
assert_array_almost_equal(evs, [0, -1.25], decimal=2)
|
||||
evs2 = explained_variance_score(
|
||||
[[0, -1], [0, 1]],
|
||||
[[2, 2], [1, 1]],
|
||||
multioutput="raw_values",
|
||||
force_finite=False,
|
||||
)
|
||||
assert_array_almost_equal(evs2, [-np.inf, -1.25], decimal=2)
|
||||
|
||||
# Checking for the condition in which both numerator and denominator is
|
||||
# zero.
|
||||
y_true = [[1, 3], [1, 2]]
|
||||
y_pred = [[1, 4], [1, 1]]
|
||||
r2 = r2_score(y_true, y_pred, multioutput="raw_values")
|
||||
assert_array_almost_equal(r2, [1.0, -3.0], decimal=2)
|
||||
assert np.mean(r2) == r2_score(y_true, y_pred, multioutput="uniform_average")
|
||||
r22 = r2_score(y_true, y_pred, multioutput="raw_values", force_finite=False)
|
||||
assert_array_almost_equal(r22, [np.nan, -3.0], decimal=2)
|
||||
assert_almost_equal(
|
||||
np.mean(r22),
|
||||
r2_score(y_true, y_pred, multioutput="uniform_average", force_finite=False),
|
||||
)
|
||||
|
||||
evs = explained_variance_score(y_true, y_pred, multioutput="raw_values")
|
||||
assert_array_almost_equal(evs, [1.0, -3.0], decimal=2)
|
||||
assert np.mean(evs) == explained_variance_score(y_true, y_pred)
|
||||
d2ps = d2_pinball_score(y_true, y_pred, alpha=0.5, multioutput="raw_values")
|
||||
assert_array_almost_equal(d2ps, [1.0, -1.0], decimal=2)
|
||||
evs2 = explained_variance_score(
|
||||
y_true, y_pred, multioutput="raw_values", force_finite=False
|
||||
)
|
||||
assert_array_almost_equal(evs2, [np.nan, -3.0], decimal=2)
|
||||
assert_almost_equal(
|
||||
np.mean(evs2), explained_variance_score(y_true, y_pred, force_finite=False)
|
||||
)
|
||||
|
||||
# Handling msle separately as it does not accept negative inputs.
|
||||
y_true = np.array([[0.5, 1], [1, 2], [7, 6]])
|
||||
y_pred = np.array([[0.5, 2], [1, 2.5], [8, 8]])
|
||||
msle = mean_squared_log_error(y_true, y_pred, multioutput="raw_values")
|
||||
msle2 = mean_squared_error(
|
||||
np.log(1 + y_true), np.log(1 + y_pred), multioutput="raw_values"
|
||||
)
|
||||
assert_array_almost_equal(msle, msle2, decimal=2)
|
||||
|
||||
|
||||
def test_regression_custom_weights():
|
||||
y_true = [[1, 2], [2.5, -1], [4.5, 3], [5, 7]]
|
||||
y_pred = [[1, 1], [2, -1], [5, 4], [5, 6.5]]
|
||||
|
||||
msew = mean_squared_error(y_true, y_pred, multioutput=[0.4, 0.6])
|
||||
rmsew = mean_squared_error(y_true, y_pred, multioutput=[0.4, 0.6], squared=False)
|
||||
maew = mean_absolute_error(y_true, y_pred, multioutput=[0.4, 0.6])
|
||||
mapew = mean_absolute_percentage_error(y_true, y_pred, multioutput=[0.4, 0.6])
|
||||
rw = r2_score(y_true, y_pred, multioutput=[0.4, 0.6])
|
||||
evsw = explained_variance_score(y_true, y_pred, multioutput=[0.4, 0.6])
|
||||
d2psw = d2_pinball_score(y_true, y_pred, alpha=0.5, multioutput=[0.4, 0.6])
|
||||
evsw2 = explained_variance_score(
|
||||
y_true, y_pred, multioutput=[0.4, 0.6], force_finite=False
|
||||
)
|
||||
|
||||
assert_almost_equal(msew, 0.39, decimal=2)
|
||||
assert_almost_equal(rmsew, 0.59, decimal=2)
|
||||
assert_almost_equal(maew, 0.475, decimal=3)
|
||||
assert_almost_equal(mapew, 0.1668, decimal=2)
|
||||
assert_almost_equal(rw, 0.94, decimal=2)
|
||||
assert_almost_equal(evsw, 0.94, decimal=2)
|
||||
assert_almost_equal(d2psw, 0.766, decimal=2)
|
||||
assert_almost_equal(evsw2, 0.94, decimal=2)
|
||||
|
||||
# Handling msle separately as it does not accept negative inputs.
|
||||
y_true = np.array([[0.5, 1], [1, 2], [7, 6]])
|
||||
y_pred = np.array([[0.5, 2], [1, 2.5], [8, 8]])
|
||||
msle = mean_squared_log_error(y_true, y_pred, multioutput=[0.3, 0.7])
|
||||
msle2 = mean_squared_error(
|
||||
np.log(1 + y_true), np.log(1 + y_pred), multioutput=[0.3, 0.7]
|
||||
)
|
||||
assert_almost_equal(msle, msle2, decimal=2)
|
||||
|
||||
|
||||
@pytest.mark.parametrize("metric", [r2_score, d2_tweedie_score, d2_pinball_score])
|
||||
def test_regression_single_sample(metric):
|
||||
y_true = [0]
|
||||
y_pred = [1]
|
||||
warning_msg = "not well-defined with less than two samples."
|
||||
|
||||
# Trigger the warning
|
||||
with pytest.warns(UndefinedMetricWarning, match=warning_msg):
|
||||
score = metric(y_true, y_pred)
|
||||
assert np.isnan(score)
|
||||
|
||||
|
||||
def test_tweedie_deviance_continuity():
|
||||
n_samples = 100
|
||||
|
||||
y_true = np.random.RandomState(0).rand(n_samples) + 0.1
|
||||
y_pred = np.random.RandomState(1).rand(n_samples) + 0.1
|
||||
|
||||
assert_allclose(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=0 - 1e-10),
|
||||
mean_tweedie_deviance(y_true, y_pred, power=0),
|
||||
)
|
||||
|
||||
# Ws we get closer to the limit, with 1e-12 difference the absolute
|
||||
# tolerance to pass the below check increases. There are likely
|
||||
# numerical precision issues on the edges of different definition
|
||||
# regions.
|
||||
assert_allclose(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=1 + 1e-10),
|
||||
mean_tweedie_deviance(y_true, y_pred, power=1),
|
||||
atol=1e-6,
|
||||
)
|
||||
|
||||
assert_allclose(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=2 - 1e-10),
|
||||
mean_tweedie_deviance(y_true, y_pred, power=2),
|
||||
atol=1e-6,
|
||||
)
|
||||
|
||||
assert_allclose(
|
||||
mean_tweedie_deviance(y_true, y_pred, power=2 + 1e-10),
|
||||
mean_tweedie_deviance(y_true, y_pred, power=2),
|
||||
atol=1e-6,
|
||||
)
|
||||
|
||||
|
||||
def test_mean_absolute_percentage_error():
|
||||
random_number_generator = np.random.RandomState(42)
|
||||
y_true = random_number_generator.exponential(size=100)
|
||||
y_pred = 1.2 * y_true
|
||||
assert mean_absolute_percentage_error(y_true, y_pred) == pytest.approx(0.2)
|
||||
|
||||
|
||||
@pytest.mark.parametrize(
|
||||
"distribution", ["normal", "lognormal", "exponential", "uniform"]
|
||||
)
|
||||
@pytest.mark.parametrize("target_quantile", [0.05, 0.5, 0.75])
|
||||
def test_mean_pinball_loss_on_constant_predictions(distribution, target_quantile):
|
||||
if not hasattr(np, "quantile"):
|
||||
pytest.skip(
|
||||
"This test requires a more recent version of numpy "
|
||||
"with support for np.quantile."
|
||||
)
|
||||
|
||||
# Check that the pinball loss is minimized by the empirical quantile.
|
||||
n_samples = 3000
|
||||
rng = np.random.RandomState(42)
|
||||
data = getattr(rng, distribution)(size=n_samples)
|
||||
|
||||
# Compute the best possible pinball loss for any constant predictor:
|
||||
best_pred = np.quantile(data, target_quantile)
|
||||
best_constant_pred = np.full(n_samples, fill_value=best_pred)
|
||||
best_pbl = mean_pinball_loss(data, best_constant_pred, alpha=target_quantile)
|
||||
|
||||
# Evaluate the loss on a grid of quantiles
|
||||
candidate_predictions = np.quantile(data, np.linspace(0, 1, 100))
|
||||
for pred in candidate_predictions:
|
||||
# Compute the pinball loss of a constant predictor:
|
||||
constant_pred = np.full(n_samples, fill_value=pred)
|
||||
pbl = mean_pinball_loss(data, constant_pred, alpha=target_quantile)
|
||||
|
||||
# Check that the loss of this constant predictor is greater or equal
|
||||
# than the loss of using the optimal quantile (up to machine
|
||||
# precision):
|
||||
assert pbl >= best_pbl - np.finfo(best_pbl.dtype).eps
|
||||
|
||||
# Check that the value of the pinball loss matches the analytical
|
||||
# formula.
|
||||
expected_pbl = (pred - data[data < pred]).sum() * (1 - target_quantile) + (
|
||||
data[data >= pred] - pred
|
||||
).sum() * target_quantile
|
||||
expected_pbl /= n_samples
|
||||
assert_almost_equal(expected_pbl, pbl)
|
||||
|
||||
# Check that we can actually recover the target_quantile by minimizing the
|
||||
# pinball loss w.r.t. the constant prediction quantile.
|
||||
def objective_func(x):
|
||||
constant_pred = np.full(n_samples, fill_value=x)
|
||||
return mean_pinball_loss(data, constant_pred, alpha=target_quantile)
|
||||
|
||||
result = optimize.minimize(objective_func, data.mean(), method="Nelder-Mead")
|
||||
assert result.success
|
||||
# The minimum is not unique with limited data, hence the large tolerance.
|
||||
assert result.x == pytest.approx(best_pred, rel=1e-2)
|
||||
assert result.fun == pytest.approx(best_pbl)
|
||||
|
||||
|
||||
def test_dummy_quantile_parameter_tuning():
|
||||
# Integration test to check that it is possible to use the pinball loss to
|
||||
# tune the hyperparameter of a quantile regressor. This is conceptually
|
||||
# similar to the previous test but using the scikit-learn estimator and
|
||||
# scoring API instead.
|
||||
n_samples = 1000
|
||||
rng = np.random.RandomState(0)
|
||||
X = rng.normal(size=(n_samples, 5)) # Ignored
|
||||
y = rng.exponential(size=n_samples)
|
||||
|
||||
all_quantiles = [0.05, 0.1, 0.25, 0.5, 0.75, 0.9, 0.95]
|
||||
for alpha in all_quantiles:
|
||||
neg_mean_pinball_loss = make_scorer(
|
||||
mean_pinball_loss,
|
||||
alpha=alpha,
|
||||
greater_is_better=False,
|
||||
)
|
||||
regressor = DummyRegressor(strategy="quantile", quantile=0.25)
|
||||
grid_search = GridSearchCV(
|
||||
regressor,
|
||||
param_grid=dict(quantile=all_quantiles),
|
||||
scoring=neg_mean_pinball_loss,
|
||||
).fit(X, y)
|
||||
|
||||
assert grid_search.best_params_["quantile"] == pytest.approx(alpha)
|
||||
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user