peacock-data-public-datasets-idc-cronscript
/
venv
/lib
/python3.10
/site-packages
/sklearn
/covariance
/_robust_covariance.py
""" | |
Robust location and covariance estimators. | |
Here are implemented estimators that are resistant to outliers. | |
""" | |
# Author: Virgile Fritsch <[email protected]> | |
# | |
# License: BSD 3 clause | |
import warnings | |
from numbers import Integral, Real | |
import numpy as np | |
from scipy import linalg | |
from scipy.stats import chi2 | |
from ..base import _fit_context | |
from ..utils import check_array, check_random_state | |
from ..utils._param_validation import Interval | |
from ..utils.extmath import fast_logdet | |
from ._empirical_covariance import EmpiricalCovariance, empirical_covariance | |
# Minimum Covariance Determinant | |
# Implementing of an algorithm by Rousseeuw & Van Driessen described in | |
# (A Fast Algorithm for the Minimum Covariance Determinant Estimator, | |
# 1999, American Statistical Association and the American Society | |
# for Quality, TECHNOMETRICS) | |
# XXX Is this really a public function? It's not listed in the docs or | |
# exported by sklearn.covariance. Deprecate? | |
def c_step( | |
X, | |
n_support, | |
remaining_iterations=30, | |
initial_estimates=None, | |
verbose=False, | |
cov_computation_method=empirical_covariance, | |
random_state=None, | |
): | |
"""C_step procedure described in [Rouseeuw1984]_ aiming at computing MCD. | |
Parameters | |
---------- | |
X : array-like of shape (n_samples, n_features) | |
Data set in which we look for the n_support observations whose | |
scatter matrix has minimum determinant. | |
n_support : int | |
Number of observations to compute the robust estimates of location | |
and covariance from. This parameter must be greater than | |
`n_samples / 2`. | |
remaining_iterations : int, default=30 | |
Number of iterations to perform. | |
According to [Rouseeuw1999]_, two iterations are sufficient to get | |
close to the minimum, and we never need more than 30 to reach | |
convergence. | |
initial_estimates : tuple of shape (2,), default=None | |
Initial estimates of location and shape from which to run the c_step | |
procedure: | |
- initial_estimates[0]: an initial location estimate | |
- initial_estimates[1]: an initial covariance estimate | |
verbose : bool, default=False | |
Verbose mode. | |
cov_computation_method : callable, \ | |
default=:func:`sklearn.covariance.empirical_covariance` | |
The function which will be used to compute the covariance. | |
Must return array of shape (n_features, n_features). | |
random_state : int, RandomState instance or None, default=None | |
Determines the pseudo random number generator for shuffling the data. | |
Pass an int for reproducible results across multiple function calls. | |
See :term:`Glossary <random_state>`. | |
Returns | |
------- | |
location : ndarray of shape (n_features,) | |
Robust location estimates. | |
covariance : ndarray of shape (n_features, n_features) | |
Robust covariance estimates. | |
support : ndarray of shape (n_samples,) | |
A mask for the `n_support` observations whose scatter matrix has | |
minimum determinant. | |
References | |
---------- | |
.. [Rouseeuw1999] A Fast Algorithm for the Minimum Covariance Determinant | |
Estimator, 1999, American Statistical Association and the American | |
Society for Quality, TECHNOMETRICS | |
""" | |
X = np.asarray(X) | |
random_state = check_random_state(random_state) | |
return _c_step( | |
X, | |
n_support, | |
remaining_iterations=remaining_iterations, | |
initial_estimates=initial_estimates, | |
verbose=verbose, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
def _c_step( | |
X, | |
n_support, | |
random_state, | |
remaining_iterations=30, | |
initial_estimates=None, | |
verbose=False, | |
cov_computation_method=empirical_covariance, | |
): | |
n_samples, n_features = X.shape | |
dist = np.inf | |
# Initialisation | |
support = np.zeros(n_samples, dtype=bool) | |
if initial_estimates is None: | |
# compute initial robust estimates from a random subset | |
support[random_state.permutation(n_samples)[:n_support]] = True | |
else: | |
# get initial robust estimates from the function parameters | |
location = initial_estimates[0] | |
covariance = initial_estimates[1] | |
# run a special iteration for that case (to get an initial support) | |
precision = linalg.pinvh(covariance) | |
X_centered = X - location | |
dist = (np.dot(X_centered, precision) * X_centered).sum(1) | |
# compute new estimates | |
support[np.argsort(dist)[:n_support]] = True | |
X_support = X[support] | |
location = X_support.mean(0) | |
covariance = cov_computation_method(X_support) | |
# Iterative procedure for Minimum Covariance Determinant computation | |
det = fast_logdet(covariance) | |
# If the data already has singular covariance, calculate the precision, | |
# as the loop below will not be entered. | |
if np.isinf(det): | |
precision = linalg.pinvh(covariance) | |
previous_det = np.inf | |
while det < previous_det and remaining_iterations > 0 and not np.isinf(det): | |
# save old estimates values | |
previous_location = location | |
previous_covariance = covariance | |
previous_det = det | |
previous_support = support | |
# compute a new support from the full data set mahalanobis distances | |
precision = linalg.pinvh(covariance) | |
X_centered = X - location | |
dist = (np.dot(X_centered, precision) * X_centered).sum(axis=1) | |
# compute new estimates | |
support = np.zeros(n_samples, dtype=bool) | |
support[np.argsort(dist)[:n_support]] = True | |
X_support = X[support] | |
location = X_support.mean(axis=0) | |
covariance = cov_computation_method(X_support) | |
det = fast_logdet(covariance) | |
# update remaining iterations for early stopping | |
remaining_iterations -= 1 | |
previous_dist = dist | |
dist = (np.dot(X - location, precision) * (X - location)).sum(axis=1) | |
# Check if best fit already found (det => 0, logdet => -inf) | |
if np.isinf(det): | |
results = location, covariance, det, support, dist | |
# Check convergence | |
if np.allclose(det, previous_det): | |
# c_step procedure converged | |
if verbose: | |
print( | |
"Optimal couple (location, covariance) found before" | |
" ending iterations (%d left)" % (remaining_iterations) | |
) | |
results = location, covariance, det, support, dist | |
elif det > previous_det: | |
# determinant has increased (should not happen) | |
warnings.warn( | |
"Determinant has increased; this should not happen: " | |
"log(det) > log(previous_det) (%.15f > %.15f). " | |
"You may want to try with a higher value of " | |
"support_fraction (current value: %.3f)." | |
% (det, previous_det, n_support / n_samples), | |
RuntimeWarning, | |
) | |
results = ( | |
previous_location, | |
previous_covariance, | |
previous_det, | |
previous_support, | |
previous_dist, | |
) | |
# Check early stopping | |
if remaining_iterations == 0: | |
if verbose: | |
print("Maximum number of iterations reached") | |
results = location, covariance, det, support, dist | |
return results | |
def select_candidates( | |
X, | |
n_support, | |
n_trials, | |
select=1, | |
n_iter=30, | |
verbose=False, | |
cov_computation_method=empirical_covariance, | |
random_state=None, | |
): | |
"""Finds the best pure subset of observations to compute MCD from it. | |
The purpose of this function is to find the best sets of n_support | |
observations with respect to a minimization of their covariance | |
matrix determinant. Equivalently, it removes n_samples-n_support | |
observations to construct what we call a pure data set (i.e. not | |
containing outliers). The list of the observations of the pure | |
data set is referred to as the `support`. | |
Starting from a random support, the pure data set is found by the | |
c_step procedure introduced by Rousseeuw and Van Driessen in | |
[RV]_. | |
Parameters | |
---------- | |
X : array-like of shape (n_samples, n_features) | |
Data (sub)set in which we look for the n_support purest observations. | |
n_support : int | |
The number of samples the pure data set must contain. | |
This parameter must be in the range `[(n + p + 1)/2] < n_support < n`. | |
n_trials : int or tuple of shape (2,) | |
Number of different initial sets of observations from which to | |
run the algorithm. This parameter should be a strictly positive | |
integer. | |
Instead of giving a number of trials to perform, one can provide a | |
list of initial estimates that will be used to iteratively run | |
c_step procedures. In this case: | |
- n_trials[0]: array-like, shape (n_trials, n_features) | |
is the list of `n_trials` initial location estimates | |
- n_trials[1]: array-like, shape (n_trials, n_features, n_features) | |
is the list of `n_trials` initial covariances estimates | |
select : int, default=1 | |
Number of best candidates results to return. This parameter must be | |
a strictly positive integer. | |
n_iter : int, default=30 | |
Maximum number of iterations for the c_step procedure. | |
(2 is enough to be close to the final solution. "Never" exceeds 20). | |
This parameter must be a strictly positive integer. | |
verbose : bool, default=False | |
Control the output verbosity. | |
cov_computation_method : callable, \ | |
default=:func:`sklearn.covariance.empirical_covariance` | |
The function which will be used to compute the covariance. | |
Must return an array of shape (n_features, n_features). | |
random_state : int, RandomState instance or None, default=None | |
Determines the pseudo random number generator for shuffling the data. | |
Pass an int for reproducible results across multiple function calls. | |
See :term:`Glossary <random_state>`. | |
See Also | |
--------- | |
c_step | |
Returns | |
------- | |
best_locations : ndarray of shape (select, n_features) | |
The `select` location estimates computed from the `select` best | |
supports found in the data set (`X`). | |
best_covariances : ndarray of shape (select, n_features, n_features) | |
The `select` covariance estimates computed from the `select` | |
best supports found in the data set (`X`). | |
best_supports : ndarray of shape (select, n_samples) | |
The `select` best supports found in the data set (`X`). | |
References | |
---------- | |
.. [RV] A Fast Algorithm for the Minimum Covariance Determinant | |
Estimator, 1999, American Statistical Association and the American | |
Society for Quality, TECHNOMETRICS | |
""" | |
random_state = check_random_state(random_state) | |
if isinstance(n_trials, Integral): | |
run_from_estimates = False | |
elif isinstance(n_trials, tuple): | |
run_from_estimates = True | |
estimates_list = n_trials | |
n_trials = estimates_list[0].shape[0] | |
else: | |
raise TypeError( | |
"Invalid 'n_trials' parameter, expected tuple or integer, got %s (%s)" | |
% (n_trials, type(n_trials)) | |
) | |
# compute `n_trials` location and shape estimates candidates in the subset | |
all_estimates = [] | |
if not run_from_estimates: | |
# perform `n_trials` computations from random initial supports | |
for j in range(n_trials): | |
all_estimates.append( | |
_c_step( | |
X, | |
n_support, | |
remaining_iterations=n_iter, | |
verbose=verbose, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
) | |
else: | |
# perform computations from every given initial estimates | |
for j in range(n_trials): | |
initial_estimates = (estimates_list[0][j], estimates_list[1][j]) | |
all_estimates.append( | |
_c_step( | |
X, | |
n_support, | |
remaining_iterations=n_iter, | |
initial_estimates=initial_estimates, | |
verbose=verbose, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
) | |
all_locs_sub, all_covs_sub, all_dets_sub, all_supports_sub, all_ds_sub = zip( | |
*all_estimates | |
) | |
# find the `n_best` best results among the `n_trials` ones | |
index_best = np.argsort(all_dets_sub)[:select] | |
best_locations = np.asarray(all_locs_sub)[index_best] | |
best_covariances = np.asarray(all_covs_sub)[index_best] | |
best_supports = np.asarray(all_supports_sub)[index_best] | |
best_ds = np.asarray(all_ds_sub)[index_best] | |
return best_locations, best_covariances, best_supports, best_ds | |
def fast_mcd( | |
X, | |
support_fraction=None, | |
cov_computation_method=empirical_covariance, | |
random_state=None, | |
): | |
"""Estimate the Minimum Covariance Determinant matrix. | |
Read more in the :ref:`User Guide <robust_covariance>`. | |
Parameters | |
---------- | |
X : array-like of shape (n_samples, n_features) | |
The data matrix, with p features and n samples. | |
support_fraction : float, default=None | |
The proportion of points to be included in the support of the raw | |
MCD estimate. Default is `None`, which implies that the minimum | |
value of `support_fraction` will be used within the algorithm: | |
`(n_samples + n_features + 1) / 2 * n_samples`. This parameter must be | |
in the range (0, 1). | |
cov_computation_method : callable, \ | |
default=:func:`sklearn.covariance.empirical_covariance` | |
The function which will be used to compute the covariance. | |
Must return an array of shape (n_features, n_features). | |
random_state : int, RandomState instance or None, default=None | |
Determines the pseudo random number generator for shuffling the data. | |
Pass an int for reproducible results across multiple function calls. | |
See :term:`Glossary <random_state>`. | |
Returns | |
------- | |
location : ndarray of shape (n_features,) | |
Robust location of the data. | |
covariance : ndarray of shape (n_features, n_features) | |
Robust covariance of the features. | |
support : ndarray of shape (n_samples,), dtype=bool | |
A mask of the observations that have been used to compute | |
the robust location and covariance estimates of the data set. | |
Notes | |
----- | |
The FastMCD algorithm has been introduced by Rousseuw and Van Driessen | |
in "A Fast Algorithm for the Minimum Covariance Determinant Estimator, | |
1999, American Statistical Association and the American Society | |
for Quality, TECHNOMETRICS". | |
The principle is to compute robust estimates and random subsets before | |
pooling them into a larger subsets, and finally into the full data set. | |
Depending on the size of the initial sample, we have one, two or three | |
such computation levels. | |
Note that only raw estimates are returned. If one is interested in | |
the correction and reweighting steps described in [RouseeuwVan]_, | |
see the MinCovDet object. | |
References | |
---------- | |
.. [RouseeuwVan] A Fast Algorithm for the Minimum Covariance | |
Determinant Estimator, 1999, American Statistical Association | |
and the American Society for Quality, TECHNOMETRICS | |
.. [Butler1993] R. W. Butler, P. L. Davies and M. Jhun, | |
Asymptotics For The Minimum Covariance Determinant Estimator, | |
The Annals of Statistics, 1993, Vol. 21, No. 3, 1385-1400 | |
""" | |
random_state = check_random_state(random_state) | |
X = check_array(X, ensure_min_samples=2, estimator="fast_mcd") | |
n_samples, n_features = X.shape | |
# minimum breakdown value | |
if support_fraction is None: | |
n_support = int(np.ceil(0.5 * (n_samples + n_features + 1))) | |
else: | |
n_support = int(support_fraction * n_samples) | |
# 1-dimensional case quick computation | |
# (Rousseeuw, P. J. and Leroy, A. M. (2005) References, in Robust | |
# Regression and Outlier Detection, John Wiley & Sons, chapter 4) | |
if n_features == 1: | |
if n_support < n_samples: | |
# find the sample shortest halves | |
X_sorted = np.sort(np.ravel(X)) | |
diff = X_sorted[n_support:] - X_sorted[: (n_samples - n_support)] | |
halves_start = np.where(diff == np.min(diff))[0] | |
# take the middle points' mean to get the robust location estimate | |
location = ( | |
0.5 | |
* (X_sorted[n_support + halves_start] + X_sorted[halves_start]).mean() | |
) | |
support = np.zeros(n_samples, dtype=bool) | |
X_centered = X - location | |
support[np.argsort(np.abs(X_centered), 0)[:n_support]] = True | |
covariance = np.asarray([[np.var(X[support])]]) | |
location = np.array([location]) | |
# get precision matrix in an optimized way | |
precision = linalg.pinvh(covariance) | |
dist = (np.dot(X_centered, precision) * (X_centered)).sum(axis=1) | |
else: | |
support = np.ones(n_samples, dtype=bool) | |
covariance = np.asarray([[np.var(X)]]) | |
location = np.asarray([np.mean(X)]) | |
X_centered = X - location | |
# get precision matrix in an optimized way | |
precision = linalg.pinvh(covariance) | |
dist = (np.dot(X_centered, precision) * (X_centered)).sum(axis=1) | |
# Starting FastMCD algorithm for p-dimensional case | |
if (n_samples > 500) and (n_features > 1): | |
# 1. Find candidate supports on subsets | |
# a. split the set in subsets of size ~ 300 | |
n_subsets = n_samples // 300 | |
n_samples_subsets = n_samples // n_subsets | |
samples_shuffle = random_state.permutation(n_samples) | |
h_subset = int(np.ceil(n_samples_subsets * (n_support / float(n_samples)))) | |
# b. perform a total of 500 trials | |
n_trials_tot = 500 | |
# c. select 10 best (location, covariance) for each subset | |
n_best_sub = 10 | |
n_trials = max(10, n_trials_tot // n_subsets) | |
n_best_tot = n_subsets * n_best_sub | |
all_best_locations = np.zeros((n_best_tot, n_features)) | |
try: | |
all_best_covariances = np.zeros((n_best_tot, n_features, n_features)) | |
except MemoryError: | |
# The above is too big. Let's try with something much small | |
# (and less optimal) | |
n_best_tot = 10 | |
all_best_covariances = np.zeros((n_best_tot, n_features, n_features)) | |
n_best_sub = 2 | |
for i in range(n_subsets): | |
low_bound = i * n_samples_subsets | |
high_bound = low_bound + n_samples_subsets | |
current_subset = X[samples_shuffle[low_bound:high_bound]] | |
best_locations_sub, best_covariances_sub, _, _ = select_candidates( | |
current_subset, | |
h_subset, | |
n_trials, | |
select=n_best_sub, | |
n_iter=2, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
subset_slice = np.arange(i * n_best_sub, (i + 1) * n_best_sub) | |
all_best_locations[subset_slice] = best_locations_sub | |
all_best_covariances[subset_slice] = best_covariances_sub | |
# 2. Pool the candidate supports into a merged set | |
# (possibly the full dataset) | |
n_samples_merged = min(1500, n_samples) | |
h_merged = int(np.ceil(n_samples_merged * (n_support / float(n_samples)))) | |
if n_samples > 1500: | |
n_best_merged = 10 | |
else: | |
n_best_merged = 1 | |
# find the best couples (location, covariance) on the merged set | |
selection = random_state.permutation(n_samples)[:n_samples_merged] | |
locations_merged, covariances_merged, supports_merged, d = select_candidates( | |
X[selection], | |
h_merged, | |
n_trials=(all_best_locations, all_best_covariances), | |
select=n_best_merged, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
# 3. Finally get the overall best (locations, covariance) couple | |
if n_samples < 1500: | |
# directly get the best couple (location, covariance) | |
location = locations_merged[0] | |
covariance = covariances_merged[0] | |
support = np.zeros(n_samples, dtype=bool) | |
dist = np.zeros(n_samples) | |
support[selection] = supports_merged[0] | |
dist[selection] = d[0] | |
else: | |
# select the best couple on the full dataset | |
locations_full, covariances_full, supports_full, d = select_candidates( | |
X, | |
n_support, | |
n_trials=(locations_merged, covariances_merged), | |
select=1, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
location = locations_full[0] | |
covariance = covariances_full[0] | |
support = supports_full[0] | |
dist = d[0] | |
elif n_features > 1: | |
# 1. Find the 10 best couples (location, covariance) | |
# considering two iterations | |
n_trials = 30 | |
n_best = 10 | |
locations_best, covariances_best, _, _ = select_candidates( | |
X, | |
n_support, | |
n_trials=n_trials, | |
select=n_best, | |
n_iter=2, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
# 2. Select the best couple on the full dataset amongst the 10 | |
locations_full, covariances_full, supports_full, d = select_candidates( | |
X, | |
n_support, | |
n_trials=(locations_best, covariances_best), | |
select=1, | |
cov_computation_method=cov_computation_method, | |
random_state=random_state, | |
) | |
location = locations_full[0] | |
covariance = covariances_full[0] | |
support = supports_full[0] | |
dist = d[0] | |
return location, covariance, support, dist | |
class MinCovDet(EmpiricalCovariance): | |
"""Minimum Covariance Determinant (MCD): robust estimator of covariance. | |
The Minimum Covariance Determinant covariance estimator is to be applied | |
on Gaussian-distributed data, but could still be relevant on data | |
drawn from a unimodal, symmetric distribution. It is not meant to be used | |
with multi-modal data (the algorithm used to fit a MinCovDet object is | |
likely to fail in such a case). | |
One should consider projection pursuit methods to deal with multi-modal | |
datasets. | |
Read more in the :ref:`User Guide <robust_covariance>`. | |
Parameters | |
---------- | |
store_precision : bool, default=True | |
Specify if the estimated precision is stored. | |
assume_centered : bool, default=False | |
If True, the support of the robust location and the covariance | |
estimates is computed, and a covariance estimate is recomputed from | |
it, without centering the data. | |
Useful to work with data whose mean is significantly equal to | |
zero but is not exactly zero. | |
If False, the robust location and covariance are directly computed | |
with the FastMCD algorithm without additional treatment. | |
support_fraction : float, default=None | |
The proportion of points to be included in the support of the raw | |
MCD estimate. Default is None, which implies that the minimum | |
value of support_fraction will be used within the algorithm: | |
`(n_samples + n_features + 1) / 2 * n_samples`. The parameter must be | |
in the range (0, 1]. | |
random_state : int, RandomState instance or None, default=None | |
Determines the pseudo random number generator for shuffling the data. | |
Pass an int for reproducible results across multiple function calls. | |
See :term:`Glossary <random_state>`. | |
Attributes | |
---------- | |
raw_location_ : ndarray of shape (n_features,) | |
The raw robust estimated location before correction and re-weighting. | |
raw_covariance_ : ndarray of shape (n_features, n_features) | |
The raw robust estimated covariance before correction and re-weighting. | |
raw_support_ : ndarray of shape (n_samples,) | |
A mask of the observations that have been used to compute | |
the raw robust estimates of location and shape, before correction | |
and re-weighting. | |
location_ : ndarray of shape (n_features,) | |
Estimated robust location. | |
covariance_ : ndarray of shape (n_features, n_features) | |
Estimated robust covariance matrix. | |
precision_ : ndarray of shape (n_features, n_features) | |
Estimated pseudo inverse matrix. | |
(stored only if store_precision is True) | |
support_ : ndarray of shape (n_samples,) | |
A mask of the observations that have been used to compute | |
the robust estimates of location and shape. | |
dist_ : ndarray of shape (n_samples,) | |
Mahalanobis distances of the training set (on which :meth:`fit` is | |
called) observations. | |
n_features_in_ : int | |
Number of features seen during :term:`fit`. | |
.. versionadded:: 0.24 | |
feature_names_in_ : ndarray of shape (`n_features_in_`,) | |
Names of features seen during :term:`fit`. Defined only when `X` | |
has feature names that are all strings. | |
.. versionadded:: 1.0 | |
See Also | |
-------- | |
EllipticEnvelope : An object for detecting outliers in | |
a Gaussian distributed dataset. | |
EmpiricalCovariance : Maximum likelihood covariance estimator. | |
GraphicalLasso : Sparse inverse covariance estimation | |
with an l1-penalized estimator. | |
GraphicalLassoCV : Sparse inverse covariance with cross-validated | |
choice of the l1 penalty. | |
LedoitWolf : LedoitWolf Estimator. | |
OAS : Oracle Approximating Shrinkage Estimator. | |
ShrunkCovariance : Covariance estimator with shrinkage. | |
References | |
---------- | |
.. [Rouseeuw1984] P. J. Rousseeuw. Least median of squares regression. | |
J. Am Stat Ass, 79:871, 1984. | |
.. [Rousseeuw] A Fast Algorithm for the Minimum Covariance Determinant | |
Estimator, 1999, American Statistical Association and the American | |
Society for Quality, TECHNOMETRICS | |
.. [ButlerDavies] R. W. Butler, P. L. Davies and M. Jhun, | |
Asymptotics For The Minimum Covariance Determinant Estimator, | |
The Annals of Statistics, 1993, Vol. 21, No. 3, 1385-1400 | |
Examples | |
-------- | |
>>> import numpy as np | |
>>> from sklearn.covariance import MinCovDet | |
>>> from sklearn.datasets import make_gaussian_quantiles | |
>>> real_cov = np.array([[.8, .3], | |
... [.3, .4]]) | |
>>> rng = np.random.RandomState(0) | |
>>> X = rng.multivariate_normal(mean=[0, 0], | |
... cov=real_cov, | |
... size=500) | |
>>> cov = MinCovDet(random_state=0).fit(X) | |
>>> cov.covariance_ | |
array([[0.7411..., 0.2535...], | |
[0.2535..., 0.3053...]]) | |
>>> cov.location_ | |
array([0.0813... , 0.0427...]) | |
""" | |
_parameter_constraints: dict = { | |
**EmpiricalCovariance._parameter_constraints, | |
"support_fraction": [Interval(Real, 0, 1, closed="right"), None], | |
"random_state": ["random_state"], | |
} | |
_nonrobust_covariance = staticmethod(empirical_covariance) | |
def __init__( | |
self, | |
*, | |
store_precision=True, | |
assume_centered=False, | |
support_fraction=None, | |
random_state=None, | |
): | |
self.store_precision = store_precision | |
self.assume_centered = assume_centered | |
self.support_fraction = support_fraction | |
self.random_state = random_state | |
def fit(self, X, y=None): | |
"""Fit a Minimum Covariance Determinant with the FastMCD algorithm. | |
Parameters | |
---------- | |
X : array-like of shape (n_samples, n_features) | |
Training data, where `n_samples` is the number of samples | |
and `n_features` is the number of features. | |
y : Ignored | |
Not used, present for API consistency by convention. | |
Returns | |
------- | |
self : object | |
Returns the instance itself. | |
""" | |
X = self._validate_data(X, ensure_min_samples=2, estimator="MinCovDet") | |
random_state = check_random_state(self.random_state) | |
n_samples, n_features = X.shape | |
# check that the empirical covariance is full rank | |
if (linalg.svdvals(np.dot(X.T, X)) > 1e-8).sum() != n_features: | |
warnings.warn( | |
"The covariance matrix associated to your dataset is not full rank" | |
) | |
# compute and store raw estimates | |
raw_location, raw_covariance, raw_support, raw_dist = fast_mcd( | |
X, | |
support_fraction=self.support_fraction, | |
cov_computation_method=self._nonrobust_covariance, | |
random_state=random_state, | |
) | |
if self.assume_centered: | |
raw_location = np.zeros(n_features) | |
raw_covariance = self._nonrobust_covariance( | |
X[raw_support], assume_centered=True | |
) | |
# get precision matrix in an optimized way | |
precision = linalg.pinvh(raw_covariance) | |
raw_dist = np.sum(np.dot(X, precision) * X, 1) | |
self.raw_location_ = raw_location | |
self.raw_covariance_ = raw_covariance | |
self.raw_support_ = raw_support | |
self.location_ = raw_location | |
self.support_ = raw_support | |
self.dist_ = raw_dist | |
# obtain consistency at normal models | |
self.correct_covariance(X) | |
# re-weight estimator | |
self.reweight_covariance(X) | |
return self | |
def correct_covariance(self, data): | |
"""Apply a correction to raw Minimum Covariance Determinant estimates. | |
Correction using the empirical correction factor suggested | |
by Rousseeuw and Van Driessen in [RVD]_. | |
Parameters | |
---------- | |
data : array-like of shape (n_samples, n_features) | |
The data matrix, with p features and n samples. | |
The data set must be the one which was used to compute | |
the raw estimates. | |
Returns | |
------- | |
covariance_corrected : ndarray of shape (n_features, n_features) | |
Corrected robust covariance estimate. | |
References | |
---------- | |
.. [RVD] A Fast Algorithm for the Minimum Covariance | |
Determinant Estimator, 1999, American Statistical Association | |
and the American Society for Quality, TECHNOMETRICS | |
""" | |
# Check that the covariance of the support data is not equal to 0. | |
# Otherwise self.dist_ = 0 and thus correction = 0. | |
n_samples = len(self.dist_) | |
n_support = np.sum(self.support_) | |
if n_support < n_samples and np.allclose(self.raw_covariance_, 0): | |
raise ValueError( | |
"The covariance matrix of the support data " | |
"is equal to 0, try to increase support_fraction" | |
) | |
correction = np.median(self.dist_) / chi2(data.shape[1]).isf(0.5) | |
covariance_corrected = self.raw_covariance_ * correction | |
self.dist_ /= correction | |
return covariance_corrected | |
def reweight_covariance(self, data): | |
"""Re-weight raw Minimum Covariance Determinant estimates. | |
Re-weight observations using Rousseeuw's method (equivalent to | |
deleting outlying observations from the data set before | |
computing location and covariance estimates) described | |
in [RVDriessen]_. | |
Parameters | |
---------- | |
data : array-like of shape (n_samples, n_features) | |
The data matrix, with p features and n samples. | |
The data set must be the one which was used to compute | |
the raw estimates. | |
Returns | |
------- | |
location_reweighted : ndarray of shape (n_features,) | |
Re-weighted robust location estimate. | |
covariance_reweighted : ndarray of shape (n_features, n_features) | |
Re-weighted robust covariance estimate. | |
support_reweighted : ndarray of shape (n_samples,), dtype=bool | |
A mask of the observations that have been used to compute | |
the re-weighted robust location and covariance estimates. | |
References | |
---------- | |
.. [RVDriessen] A Fast Algorithm for the Minimum Covariance | |
Determinant Estimator, 1999, American Statistical Association | |
and the American Society for Quality, TECHNOMETRICS | |
""" | |
n_samples, n_features = data.shape | |
mask = self.dist_ < chi2(n_features).isf(0.025) | |
if self.assume_centered: | |
location_reweighted = np.zeros(n_features) | |
else: | |
location_reweighted = data[mask].mean(0) | |
covariance_reweighted = self._nonrobust_covariance( | |
data[mask], assume_centered=self.assume_centered | |
) | |
support_reweighted = np.zeros(n_samples, dtype=bool) | |
support_reweighted[mask] = True | |
self._set_covariance(covariance_reweighted) | |
self.location_ = location_reweighted | |
self.support_ = support_reweighted | |
X_centered = data - self.location_ | |
self.dist_ = np.sum(np.dot(X_centered, self.get_precision()) * X_centered, 1) | |
return location_reweighted, covariance_reweighted, support_reweighted | |