1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252
|
import numpy as np
import scipy.sparse as sp
import pytest
from scipy.sparse import csr_matrix
from sklearn import datasets
from sklearn.utils._testing import assert_array_equal
from sklearn.metrics.cluster import silhouette_score
from sklearn.metrics.cluster import silhouette_samples
from sklearn.metrics import pairwise_distances
from sklearn.metrics.cluster import calinski_harabasz_score
from sklearn.metrics.cluster import davies_bouldin_score
def test_silhouette():
# Tests the Silhouette Coefficient.
dataset = datasets.load_iris()
X_dense = dataset.data
X_csr = csr_matrix(X_dense)
X_dok = sp.dok_matrix(X_dense)
X_lil = sp.lil_matrix(X_dense)
y = dataset.target
for X in [X_dense, X_csr, X_dok, X_lil]:
D = pairwise_distances(X, metric='euclidean')
# Given that the actual labels are used, we can assume that S would be
# positive.
score_precomputed = silhouette_score(D, y, metric='precomputed')
assert score_precomputed > 0
# Test without calculating D
score_euclidean = silhouette_score(X, y, metric='euclidean')
pytest.approx(score_precomputed, score_euclidean)
if X is X_dense:
score_dense_without_sampling = score_precomputed
else:
pytest.approx(score_euclidean,
score_dense_without_sampling)
# Test with sampling
score_precomputed = silhouette_score(D, y, metric='precomputed',
sample_size=int(X.shape[0] / 2),
random_state=0)
score_euclidean = silhouette_score(X, y, metric='euclidean',
sample_size=int(X.shape[0] / 2),
random_state=0)
assert score_precomputed > 0
assert score_euclidean > 0
pytest.approx(score_euclidean, score_precomputed)
if X is X_dense:
score_dense_with_sampling = score_precomputed
else:
pytest.approx(score_euclidean, score_dense_with_sampling)
def test_cluster_size_1():
# Assert Silhouette Coefficient == 0 when there is 1 sample in a cluster
# (cluster 0). We also test the case where there are identical samples
# as the only members of a cluster (cluster 2). To our knowledge, this case
# is not discussed in reference material, and we choose for it a sample
# score of 1.
X = [[0.], [1.], [1.], [2.], [3.], [3.]]
labels = np.array([0, 1, 1, 1, 2, 2])
# Cluster 0: 1 sample -> score of 0 by Rousseeuw's convention
# Cluster 1: intra-cluster = [.5, .5, 1]
# inter-cluster = [1, 1, 1]
# silhouette = [.5, .5, 0]
# Cluster 2: intra-cluster = [0, 0]
# inter-cluster = [arbitrary, arbitrary]
# silhouette = [1., 1.]
silhouette = silhouette_score(X, labels)
assert not np.isnan(silhouette)
ss = silhouette_samples(X, labels)
assert_array_equal(ss, [0, .5, .5, 0, 1, 1])
def test_silhouette_paper_example():
# Explicitly check per-sample results against Rousseeuw (1987)
# Data from Table 1
lower = [5.58,
7.00, 6.50,
7.08, 7.00, 3.83,
4.83, 5.08, 8.17, 5.83,
2.17, 5.75, 6.67, 6.92, 4.92,
6.42, 5.00, 5.58, 6.00, 4.67, 6.42,
3.42, 5.50, 6.42, 6.42, 5.00, 3.92, 6.17,
2.50, 4.92, 6.25, 7.33, 4.50, 2.25, 6.33, 2.75,
6.08, 6.67, 4.25, 2.67, 6.00, 6.17, 6.17, 6.92, 6.17,
5.25, 6.83, 4.50, 3.75, 5.75, 5.42, 6.08, 5.83, 6.67, 3.67,
4.75, 3.00, 6.08, 6.67, 5.00, 5.58, 4.83, 6.17, 5.67, 6.50, 6.92]
D = np.zeros((12, 12))
D[np.tril_indices(12, -1)] = lower
D += D.T
names = ['BEL', 'BRA', 'CHI', 'CUB', 'EGY', 'FRA', 'IND', 'ISR', 'USA',
'USS', 'YUG', 'ZAI']
# Data from Figure 2
labels1 = [1, 1, 2, 2, 1, 1, 2, 1, 1, 2, 2, 1]
expected1 = {'USA': .43, 'BEL': .39, 'FRA': .35, 'ISR': .30, 'BRA': .22,
'EGY': .20, 'ZAI': .19, 'CUB': .40, 'USS': .34, 'CHI': .33,
'YUG': .26, 'IND': -.04}
score1 = .28
# Data from Figure 3
labels2 = [1, 2, 3, 3, 1, 1, 2, 1, 1, 3, 3, 2]
expected2 = {'USA': .47, 'FRA': .44, 'BEL': .42, 'ISR': .37, 'EGY': .02,
'ZAI': .28, 'BRA': .25, 'IND': .17, 'CUB': .48, 'USS': .44,
'YUG': .31, 'CHI': .31}
score2 = .33
for labels, expected, score in [(labels1, expected1, score1),
(labels2, expected2, score2)]:
expected = [expected[name] for name in names]
# we check to 2dp because that's what's in the paper
pytest.approx(expected,
silhouette_samples(D, np.array(labels),
metric='precomputed'),
abs=1e-2)
pytest.approx(score,
silhouette_score(D, np.array(labels),
metric='precomputed'),
abs=1e-2)
def test_correct_labelsize():
# Assert 1 < n_labels < n_samples
dataset = datasets.load_iris()
X = dataset.data
# n_labels = n_samples
y = np.arange(X.shape[0])
err_msg = (r'Number of labels is %d\. Valid values are 2 '
r'to n_samples - 1 \(inclusive\)' % len(np.unique(y)))
with pytest.raises(ValueError, match=err_msg):
silhouette_score(X, y)
# n_labels = 1
y = np.zeros(X.shape[0])
err_msg = (r'Number of labels is %d\. Valid values are 2 '
r'to n_samples - 1 \(inclusive\)' % len(np.unique(y)))
with pytest.raises(ValueError, match=err_msg):
silhouette_score(X, y)
def test_non_encoded_labels():
dataset = datasets.load_iris()
X = dataset.data
labels = dataset.target
assert (
silhouette_score(X, labels * 2 + 10) == silhouette_score(X, labels))
assert_array_equal(
silhouette_samples(X, labels * 2 + 10), silhouette_samples(X, labels))
def test_non_numpy_labels():
dataset = datasets.load_iris()
X = dataset.data
y = dataset.target
assert (
silhouette_score(list(X), list(y)) == silhouette_score(X, y))
@pytest.mark.parametrize('dtype', (np.float32, np.float64))
def test_silhouette_nonzero_diag(dtype):
# Make sure silhouette_samples requires diagonal to be zero.
# Non-regression test for #12178
# Construct a zero-diagonal matrix
dists = pairwise_distances(
np.array([[0.2, 0.1, 0.12, 1.34, 1.11, 1.6]], dtype=dtype).T)
labels = [0, 0, 0, 1, 1, 1]
# small values on the diagonal are OK
dists[2][2] = np.finfo(dists.dtype).eps * 10
silhouette_samples(dists, labels, metric='precomputed')
# values bigger than eps * 100 are not
dists[2][2] = np.finfo(dists.dtype).eps * 1000
with pytest.raises(ValueError, match='contains non-zero'):
silhouette_samples(dists, labels, metric='precomputed')
def assert_raises_on_only_one_label(func):
"""Assert message when there is only one label"""
rng = np.random.RandomState(seed=0)
with pytest.raises(ValueError, match="Number of labels is"):
func(rng.rand(10, 2), np.zeros(10))
def assert_raises_on_all_points_same_cluster(func):
"""Assert message when all point are in different clusters"""
rng = np.random.RandomState(seed=0)
with pytest.raises(ValueError, match="Number of labels is"):
func(rng.rand(10, 2), np.arange(10))
def test_calinski_harabasz_score():
assert_raises_on_only_one_label(calinski_harabasz_score)
assert_raises_on_all_points_same_cluster(calinski_harabasz_score)
# Assert the value is 1. when all samples are equals
assert 1. == calinski_harabasz_score(np.ones((10, 2)),
[0] * 5 + [1] * 5)
# Assert the value is 0. when all the mean cluster are equal
assert 0. == calinski_harabasz_score([[-1, -1], [1, 1]] * 10,
[0] * 10 + [1] * 10)
# General case (with non numpy arrays)
X = ([[0, 0], [1, 1]] * 5 + [[3, 3], [4, 4]] * 5 +
[[0, 4], [1, 3]] * 5 + [[3, 1], [4, 0]] * 5)
labels = [0] * 10 + [1] * 10 + [2] * 10 + [3] * 10
pytest.approx(calinski_harabasz_score(X, labels),
45 * (40 - 4) / (5 * (4 - 1)))
def test_davies_bouldin_score():
assert_raises_on_only_one_label(davies_bouldin_score)
assert_raises_on_all_points_same_cluster(davies_bouldin_score)
# Assert the value is 0. when all samples are equals
assert davies_bouldin_score(np.ones((10, 2)),
[0] * 5 + [1] * 5) == pytest.approx(0.0)
# Assert the value is 0. when all the mean cluster are equal
assert davies_bouldin_score([[-1, -1], [1, 1]] * 10,
[0] * 10 + [1] * 10) == pytest.approx(0.0)
# General case (with non numpy arrays)
X = ([[0, 0], [1, 1]] * 5 + [[3, 3], [4, 4]] * 5 +
[[0, 4], [1, 3]] * 5 + [[3, 1], [4, 0]] * 5)
labels = [0] * 10 + [1] * 10 + [2] * 10 + [3] * 10
pytest.approx(davies_bouldin_score(X, labels), 2 * np.sqrt(0.5) / 3)
# Ensure divide by zero warning is not raised in general case
with pytest.warns(None) as record:
davies_bouldin_score(X, labels)
div_zero_warnings = [
warning for warning in record
if "divide by zero encountered" in warning.message.args[0]
]
assert len(div_zero_warnings) == 0
# General case - cluster have one sample
X = ([[0, 0], [2, 2], [3, 3], [5, 5]])
labels = [0, 0, 1, 2]
pytest.approx(davies_bouldin_score(X, labels), (5. / 4) / 3)
|