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These are two implementations of the silhouette score. They are compatible with the scikit learn implementation but offers different drawbacks in term of complexity and memory usage. The slow version needs no memory but is painfully slow and should, I think, not be used. The second one is based on a block strategy: distance between samples and c…
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""" Unsupervised evaluation metrics. """ | |
# License: BSD Style. | |
from itertools import combinations | |
import numpy as np | |
from sklearn.utils import check_random_state | |
from sklearn.metrics.pairwise import distance_metrics | |
from sklearn.metrics.pairwise import pairwise_distances | |
from sklearn.externals.joblib import Parallel, delayed | |
def silhouette_score_slow(X, labels, metric='euclidean', sample_size=None, | |
random_state=None, **kwds): | |
"""Compute the mean Silhouette Coefficient of all samples. | |
This method is computationally expensive compared to the reference one. | |
The Silhouette Coefficient is calculated using the mean intra-cluster | |
distance (a) and the mean nearest-cluster distance (b) for each sample. | |
The Silhouette Coefficient for a sample is ``(b - a) / max(a, b)``. | |
To clarrify, b is the distance between a sample and the nearest cluster | |
that b is not a part of. | |
This function returns the mean Silhoeutte Coefficient over all samples. | |
To obtain the values for each sample, use silhouette_samples | |
The best value is 1 and the worst value is -1. Values near 0 indicate | |
overlapping clusters. Negative values generally indicate that a sample has | |
been assigned to the wrong cluster, as a different cluster is more similar. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
sample_size : int or None | |
The size of the sample to use when computing the Silhouette | |
Coefficient. If sample_size is None, no sampling is used. | |
random_state : integer or numpy.RandomState, optional | |
The generator used to initialize the centers. If an integer is | |
given, it fixes the seed. Defaults to the global numpy random | |
number generator. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
Returns | |
------- | |
silhouette : float | |
Mean Silhouette Coefficient for all samples. | |
References | |
---------- | |
Peter J. Rousseeuw (1987). "Silhouettes: a Graphical Aid to the | |
Interpretation and Validation of Cluster Analysis". Computational | |
and Applied Mathematics 20: 53-65. doi:10.1016/0377-0427(87)90125-7. | |
http://en.wikipedia.org/wiki/Silhouette_(clustering) | |
""" | |
if sample_size is not None: | |
random_state = check_random_state(random_state) | |
indices = random_state.permutation(X.shape[0])[:sample_size] | |
if metric == "precomputed": | |
raise ValueError('Distance matrix cannot be precomputed') | |
else: | |
X, labels = X[indices], labels[indices] | |
return np.mean(silhouette_samples_slow(X, labels, metric=metric, **kwds)) | |
def silhouette_samples_slow(X, labels, metric='euclidean', **kwds): | |
"""Compute the Silhouette Coefficient for each sample. | |
The Silhoeutte Coefficient is a measure of how well samples are clustered | |
with samples that are similar to themselves. Clustering models with a high | |
Silhouette Coefficient are said to be dense, where samples in the same | |
cluster are similar to each other, and well separated, where samples in | |
different clusters are not very similar to each other. | |
The Silhouette Coefficient is calculated using the mean intra-cluster | |
distance (a) and the mean nearest-cluster distance (b) for each sample. | |
The Silhouette Coefficient for a sample is ``(b - a) / max(a, b)``. | |
This function returns the Silhoeutte Coefficient for each sample. | |
The best value is 1 and the worst value is -1. Values near 0 indicate | |
overlapping clusters. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
Returns | |
------- | |
silhouette : array, shape = [n_samples] | |
Silhouette Coefficient for each samples. | |
References | |
---------- | |
Peter J. Rousseeuw (1987). "Silhouettes: a Graphical Aid to the | |
Interpretation and Validation of Cluster Analysis". Computational | |
and Applied Mathematics 20: 53-65. doi:10.1016/0377-0427(87)90125-7. | |
http://en.wikipedia.org/wiki/Silhouette_(clustering) | |
""" | |
metric = distance_metrics()[metric] | |
n = labels.shape[0] | |
A = np.array([_intra_cluster_distance_slow(X, labels, metric, i) | |
for i in range(n)]) | |
B = np.array([_nearest_cluster_distance_slow(X, labels, metric, i) | |
for i in range(n)]) | |
sil_samples = (B - A) / np.maximum(A, B) | |
# nan values are for clusters of size 1, and should be 0 | |
return np.nan_to_num(sil_samples) | |
def _intra_cluster_distance_slow(X, labels, metric, i): | |
"""Calculate the mean intra-cluster distance for sample i. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric: function | |
Pairwise metric function | |
i : int | |
Sample index being calculated. It is excluded from calculation and | |
used to determine the current label | |
Returns | |
------- | |
a : float | |
Mean intra-cluster distance for sample i | |
""" | |
indices = np.where(labels == labels[i])[0] | |
if len(indices) == 0: | |
return 0. | |
a = np.mean([metric(X[i], X[j]) for j in indices if not i == j]) | |
return a | |
def _nearest_cluster_distance_slow(X, labels, metric, i): | |
"""Calculate the mean nearest-cluster distance for sample i. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric: function | |
Pairwise metric function | |
i : int | |
Sample index being calculated. It is used to determine the current | |
label. | |
Returns | |
------- | |
b : float | |
Mean nearest-cluster distance for sample i | |
""" | |
label = labels[i] | |
b = np.min( | |
[np.mean( | |
[metric(X[i], X[j]) for j in np.where(labels == cur_label)[0]] | |
) for cur_label in set(labels) if not cur_label == label]) | |
return b | |
def silhouette_score_block(X, labels, metric='euclidean', sample_size=None, | |
random_state=None, n_jobs=1, **kwds): | |
"""Compute the mean Silhouette Coefficient of all samples. | |
The Silhouette Coefficient is calculated using the mean intra-cluster | |
distance (a) and the mean nearest-cluster distance (b) for each sample. | |
The Silhouette Coefficient for a sample is ``(b - a) / max(a, b)``. | |
To clarrify, b is the distance between a sample and the nearest cluster | |
that b is not a part of. | |
This function returns the mean Silhoeutte Coefficient over all samples. | |
To obtain the values for each sample, use silhouette_samples | |
The best value is 1 and the worst value is -1. Values near 0 indicate | |
overlapping clusters. Negative values generally indicate that a sample has | |
been assigned to the wrong cluster, as a different cluster is more similar. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
sample_size : int or None | |
The size of the sample to use when computing the Silhouette | |
Coefficient. If sample_size is None, no sampling is used. | |
random_state : integer or numpy.RandomState, optional | |
The generator used to initialize the centers. If an integer is | |
given, it fixes the seed. Defaults to the global numpy random | |
number generator. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
Returns | |
------- | |
silhouette : float | |
Mean Silhouette Coefficient for all samples. | |
References | |
---------- | |
Peter J. Rousseeuw (1987). "Silhouettes: a Graphical Aid to the | |
Interpretation and Validation of Cluster Analysis". Computational | |
and Applied Mathematics 20: 53-65. doi:10.1016/0377-0427(87)90125-7. | |
http://en.wikipedia.org/wiki/Silhouette_(clustering) | |
""" | |
if sample_size is not None: | |
random_state = check_random_state(random_state) | |
indices = random_state.permutation(X.shape[0])[:sample_size] | |
if metric == "precomputed": | |
raise ValueError('Distance matrix cannot be precomputed') | |
else: | |
X, labels = X[indices], labels[indices] | |
return np.mean(silhouette_samples_block( | |
X, labels, metric=metric, n_jobs=n_jobs, **kwds)) | |
def silhouette_samples_block(X, labels, metric='euclidean', n_jobs=1, **kwds): | |
"""Compute the Silhouette Coefficient for each sample. | |
The Silhoeutte Coefficient is a measure of how well samples are clustered | |
with samples that are similar to themselves. Clustering models with a high | |
Silhouette Coefficient are said to be dense, where samples in the same | |
cluster are similar to each other, and well separated, where samples in | |
different clusters are not very similar to each other. | |
The Silhouette Coefficient is calculated using the mean intra-cluster | |
distance (a) and the mean nearest-cluster distance (b) for each sample. | |
The Silhouette Coefficient for a sample is ``(b - a) / max(a, b)``. | |
This function returns the Silhoeutte Coefficient for each sample. | |
The best value is 1 and the worst value is -1. Values near 0 indicate | |
overlapping clusters. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
Returns | |
------- | |
silhouette : array, shape = [n_samples] | |
Silhouette Coefficient for each samples. | |
References | |
---------- | |
Peter J. Rousseeuw (1987). "Silhouettes: a Graphical Aid to the | |
Interpretation and Validation of Cluster Analysis". Computational | |
and Applied Mathematics 20: 53-65. doi:10.1016/0377-0427(87)90125-7. | |
http://en.wikipedia.org/wiki/Silhouette_(clustering) | |
""" | |
A = _intra_cluster_distances_block(X, labels, metric, n_jobs=n_jobs, | |
**kwds) | |
B = _nearest_cluster_distance_block(X, labels, metric, n_jobs=n_jobs, | |
**kwds) | |
sil_samples = (B - A) / np.maximum(A, B) | |
# nan values are for clusters of size 1, and should be 0 | |
return np.nan_to_num(sil_samples) | |
def _intra_cluster_distances_block_(subX, metric, **kwds): | |
distances = pairwise_distances(subX, metric=metric, **kwds) | |
return distances.sum(axis=1) / (distances.shape[0] - 1) | |
def _intra_cluster_distances_block(X, labels, metric, n_jobs=1, **kwds): | |
"""Calculate the mean intra-cluster distance for sample i. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
Returns | |
------- | |
a : array [n_samples_a] | |
Mean intra-cluster distance | |
""" | |
intra_dist = np.zeros(labels.size, dtype=float) | |
values = Parallel(n_jobs=n_jobs)( | |
delayed(_intra_cluster_distances_block_) | |
(X[np.where(labels == label)[0]], metric, **kwds) | |
for label in np.unique(labels)) | |
for label, values_ in zip(np.unique(labels), values): | |
intra_dist[np.where(labels == label)[0]] = values_ | |
return intra_dist | |
def _nearest_cluster_distance_block_(subX_a, subX_b, metric, **kwds): | |
dist = pairwise_distances(subX_a, subX_b, metric=metric, **kwds) | |
dist_a = dist.mean(axis=1) | |
dist_b = dist.mean(axis=0) | |
return dist_a, dist_b | |
def _nearest_cluster_distance_block(X, labels, metric, n_jobs=1, **kwds): | |
"""Calculate the mean nearest-cluster distance for sample i. | |
Parameters | |
---------- | |
X : array [n_samples_a, n_features] | |
Feature array. | |
labels : array, shape = [n_samples] | |
label values for each sample | |
metric : string, or callable | |
The metric to use when calculating distance between instances in a | |
feature array. If metric is a string, it must be one of the options | |
allowed by metrics.pairwise.pairwise_distances. If X is the distance | |
array itself, use "precomputed" as the metric. | |
`**kwds` : optional keyword parameters | |
Any further parameters are passed directly to the distance function. | |
If using a scipy.spatial.distance metric, the parameters are still | |
metric dependent. See the scipy docs for usage examples. | |
X : array [n_samples_a, n_features] | |
Feature array. | |
Returns | |
------- | |
b : float | |
Mean nearest-cluster distance for sample i | |
""" | |
inter_dist = np.empty(labels.size, dtype=float) | |
inter_dist.fill(np.inf) | |
# Compute cluster distance between pairs of clusters | |
unique_labels = np.unique(labels) | |
values = Parallel(n_jobs=n_jobs)( | |
delayed(_nearest_cluster_distance_block_)( | |
X[np.where(labels == label_a)[0]], | |
X[np.where(labels == label_b)[0]], | |
metric, **kwds) | |
for label_a, label_b in combinations(unique_labels, 2)) | |
for (label_a, label_b), (values_a, values_b) in \ | |
zip(combinations(unique_labels, 2), values): | |
indices_a = np.where(labels == label_a)[0] | |
inter_dist[indices_a] = np.minimum(values_a, inter_dist[indices_a]) | |
del indices_a | |
indices_b = np.where(labels == label_b)[0] | |
inter_dist[indices_b] = np.minimum(values_b, inter_dist[indices_b]) | |
del indices_b | |
return inter_dist | |
if __name__ == '__main__': | |
import time | |
from sklearn.metrics.cluster.unsupervised import silhouette_score | |
np.random.seed(0) | |
X = np.random.random((10000, 100)) | |
y = np.repeat(np.arange(100), 100) | |
t0 = time.time() | |
s = silhouette_score(X, y) | |
t = time.time() - t0 | |
print 'Scikit silhouette (%fs): %f' % (t, s) | |
t0 = time.time() | |
s = silhouette_score_block(X, y) | |
t = time.time() - t0 | |
print 'Block silhouette (%fs): %f' % (t, s) | |
t0 = time.time() | |
s = silhouette_score_block(X, y, n_jobs=2) | |
t = time.time() - t0 | |
print 'Block silhouette parallel (%fs): %f' % (t, s) |
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@paulgavrikov maybe try using Simplified Silhouette (it is way much faster) and, in general, provides quite good results. You can find a descripition here: https://dl.acm.org/doi/abs/10.1145/2484838.2484844.