"""
Linear Discriminant Analysis and Quadratic Discriminant Analysis
"""
# Authors: Clemens Brunner
# Martin Billinger
# Matthieu Perrot
# Mathieu Blondel
# License: BSD 3-Clause
from __future__ import print_function
import warnings
import numpy as np
from scipy import linalg
from .externals.six import string_types
from .externals.six.moves import xrange
from .base import BaseEstimator, TransformerMixin, ClassifierMixin
from .linear_model.base import LinearClassifierMixin
from .covariance import ledoit_wolf, empirical_covariance, shrunk_covariance
from .utils.multiclass import unique_labels
from .utils import check_array, check_X_y
from .utils.validation import check_is_fitted
from .utils.fixes import bincount
from .utils.multiclass import check_classification_targets
from .preprocessing import StandardScaler
__all__ = ['LinearDiscriminantAnalysis', 'QuadraticDiscriminantAnalysis']
def _cov(X, shrinkage=None):
"""Estimate covariance matrix (using optional shrinkage).
Parameters
----------
X : array-like, shape (n_samples, n_features)
Input data.
shrinkage : string or float, optional
Shrinkage parameter, possible values:
- None or 'empirical': no shrinkage (default).
- 'auto': automatic shrinkage using the Ledoit-Wolf lemma.
- float between 0 and 1: fixed shrinkage parameter.
Returns
-------
s : array, shape (n_features, n_features)
Estimated covariance matrix.
"""
shrinkage = "empirical" if shrinkage is None else shrinkage
if isinstance(shrinkage, string_types):
if shrinkage == 'auto':
sc = StandardScaler() # standardize features
X = sc.fit_transform(X)
s = ledoit_wolf(X)[0]
s = sc.scale_[:, np.newaxis] * s * sc.scale_[np.newaxis, :] # rescale
elif shrinkage == 'empirical':
s = empirical_covariance(X)
else:
raise ValueError('unknown shrinkage parameter')
elif isinstance(shrinkage, float) or isinstance(shrinkage, int):
if shrinkage < 0 or shrinkage > 1:
raise ValueError('shrinkage parameter must be between 0 and 1')
s = shrunk_covariance(empirical_covariance(X), shrinkage)
else:
raise TypeError('shrinkage must be of string or int type')
return s
def _class_means(X, y):
"""Compute class means.
Parameters
----------
X : array-like, shape (n_samples, n_features)
Input data.
y : array-like, shape (n_samples,) or (n_samples, n_targets)
Target values.
Returns
-------
means : array-like, shape (n_features,)
Class means.
"""
means = []
classes = np.unique(y)
for group in classes:
Xg = X[y == group, :]
means.append(Xg.mean(0))
return np.asarray(means)
def _class_cov(X, y, priors=None, shrinkage=None):
"""Compute class covariance matrix.
Parameters
----------
X : array-like, shape (n_samples, n_features)
Input data.
y : array-like, shape (n_samples,) or (n_samples, n_targets)
Target values.
priors : array-like, shape (n_classes,)
Class priors.
shrinkage : string or float, optional
Shrinkage parameter, possible values:
- None: no shrinkage (default).
- 'auto': automatic shrinkage using the Ledoit-Wolf lemma.
- float between 0 and 1: fixed shrinkage parameter.
Returns
-------
cov : array-like, shape (n_features, n_features)
Class covariance matrix.
"""
classes = np.unique(y)
covs = []
for group in classes:
Xg = X[y == group, :]
covs.append(np.atleast_2d(_cov(Xg, shrinkage)))
return np.average(covs, axis=0, weights=priors)
class LinearDiscriminantAnalysis(BaseEstimator, LinearClassifierMixin,
TransformerMixin):
"""Linear Discriminant Analysis
A classifier with a linear decision boundary, generated by fitting class
conditional densities to the data and using Bayes' rule.
The model fits a Gaussian density to each class, assuming that all classes
share the same covariance matrix.
The fitted model can also be used to reduce the dimensionality of the input
by projecting it to the most discriminative directions.
.. versionadded:: 0.17
*LinearDiscriminantAnalysis*.
.. versionchanged:: 0.17
Deprecated :class:`lda.LDA` have been moved to *LinearDiscriminantAnalysis*.
Parameters
----------
solver : string, optional
Solver to use, possible values:
- 'svd': Singular value decomposition (default). Does not compute the
covariance matrix, therefore this solver is recommended for
data with a large number of features.
- 'lsqr': Least squares solution, can be combined with shrinkage.
- 'eigen': Eigenvalue decomposition, can be combined with shrinkage.
shrinkage : string or float, optional
Shrinkage parameter, possible values:
- None: no shrinkage (default).
- 'auto': automatic shrinkage using the Ledoit-Wolf lemma.
- float between 0 and 1: fixed shrinkage parameter.
Note that shrinkage works only with 'lsqr' and 'eigen' solvers.
priors : array, optional, shape (n_classes,)
Class priors.
n_components : int, optional
Number of components (< n_classes - 1) for dimensionality reduction.
store_covariance : bool, optional
Additionally compute class covariance matrix (default False).
.. versionadded:: 0.17
tol : float, optional
Threshold used for rank estimation in SVD solver.
.. versionadded:: 0.17
Attributes
----------
coef_ : array, shape (n_features,) or (n_classes, n_features)
Weight vector(s).
intercept_ : array, shape (n_features,)
Intercept term.
covariance_ : array-like, shape (n_features, n_features)
Covariance matrix (shared by all classes).
explained_variance_ratio_ : array, shape (n_components,)
Percentage of variance explained by each of the selected components.
If ``n_components`` is not set then all components are stored and the
sum of explained variances is equal to 1.0. Only available when eigen
solver is used.
means_ : array-like, shape (n_classes, n_features)
Class means.
priors_ : array-like, shape (n_classes,)
Class priors (sum to 1).
scalings_ : array-like, shape (rank, n_classes - 1)
Scaling of the features in the space spanned by the class centroids.
xbar_ : array-like, shape (n_features,)
Overall mean.
classes_ : array-like, shape (n_classes,)
Unique class labels.
See also
--------
sklearn.discriminant_analysis.QuadraticDiscriminantAnalysis: Quadratic
Discriminant Analysis
Notes
-----
The default solver is 'svd'. It can perform both classification and
transform, and it does not rely on the calculation of the covariance
matrix. This can be an advantage in situations where the number of features
is large. However, the 'svd' solver cannot be used with shrinkage.
The 'lsqr' solver is an efficient algorithm that only works for
classification. It supports shrinkage.
The 'eigen' solver is based on the optimization of the between class
scatter to within class scatter ratio. It can be used for both
classification and transform, and it supports shrinkage. However, the
'eigen' solver needs to compute the covariance matrix, so it might not be
suitable for situations with a high number of features.
Examples
--------
>>> import numpy as np
>>> from sklearn.discriminant_analysis import LinearDiscriminantAnalysis
>>> X = np.array([[-1, -1], [-2, -1], [-3, -2], [1, 1], [2, 1], [3, 2]])
>>> y = np.array([1, 1, 1, 2, 2, 2])
>>> clf = LinearDiscriminantAnalysis()
>>> clf.fit(X, y)
LinearDiscriminantAnalysis(n_components=None, priors=None, shrinkage=None,
solver='svd', store_covariance=False, tol=0.0001)
>>> print(clf.predict([[-0.8, -1]]))
[1]
"""
def __init__(self, solver='svd', shrinkage=None, priors=None,
n_components=None, store_covariance=False, tol=1e-4):
self.solver = solver
self.shrinkage = shrinkage
self.priors = priors
self.n_components = n_components
self.store_covariance = store_covariance # used only in svd solver
self.tol = tol # used only in svd solver
def _solve_lsqr(self, X, y, shrinkage):
"""Least squares solver.
The least squares solver computes a straightforward solution of the
optimal decision rule based directly on the discriminant functions. It
can only be used for classification (with optional shrinkage), because
estimation of eigenvectors is not performed. Therefore, dimensionality
reduction with the transform is not supported.
Parameters
----------
X : array-like, shape (n_samples, n_features)
Training data.
y : array-like, shape (n_samples,) or (n_samples, n_classes)
Target values.
shrinkage : string or float, optional
Shrinkage parameter, possible values:
- None: no shrinkage (default).
- 'auto': automatic shrinkage using the Ledoit-Wolf lemma.
- float between 0 and 1: fixed shrinkage parameter.
Notes
-----
This solver is based on [1]_, section 2.6.2, pp. 39-41.
References
----------
.. [1] R. O. Duda, P. E. Hart, D. G. Stork. Pattern Classification
(Second Edition). John Wiley & Sons, Inc., New York, 2001. ISBN
0-471-05669-3.
"""
self.means_ = _class_means(X, y)
self.covariance_ = _class_cov(X, y, self.priors_, shrinkage)
self.coef_ = linalg.lstsq(self.covariance_, self.means_.T)[0].T
self.intercept_ = (-0.5 * np.diag(np.dot(self.means_, self.coef_.T))
+ np.log(self.priors_))
def _solve_eigen(self, X, y, shrinkage):
"""Eigenvalue solver.
The eigenvalue solver computes the optimal solution of the Rayleigh
coefficient (basically the ratio of between class scatter to within
class scatter). This solver supports both classification and
dimensionality reduction (with optional shrinkage).
Parameters
----------
X : array-like, shape (n_samples, n_features)
Training data.
y : array-like, shape (n_samples,) or (n_samples, n_targets)
Target values.
shrinkage : string or float, optional
Shrinkage parameter, possible values:
- None: no shrinkage (default).
- 'auto': automatic shrinkage using the Ledoit-Wolf lemma.
- float between 0 and 1: fixed shrinkage constant.
Notes
-----
This solver is based on [1]_, section 3.8.3, pp. 121-124.
References
----------
.. [1] R. O. Duda, P. E. Hart, D. G. Stork. Pattern Classification
(Second Edition). John Wiley & Sons, Inc., New York, 2001. ISBN
0-471-05669-3.
"""
self.means_ = _class_means(X, y)
self.covariance_ = _class_cov(X, y, self.priors_, shrinkage)
Sw = self.covariance_ # within scatter
St = _cov(X, shrinkage) # total scatter
Sb = St - Sw # between scatter
evals, evecs = linalg.eigh(Sb, Sw)
self.explained_variance_ratio_ = np.sort(evals / np.sum(evals))[::-1]
evecs = evecs[:, np.argsort(evals)[::-1]] # sort eigenvectors
# evecs /= np.linalg.norm(evecs, axis=0) # doesn't work with numpy 1.6
evecs /= np.apply_along_axis(np.linalg.norm, 0, evecs)
self.scalings_ = evecs
self.coef_ = np.dot(self.means_, evecs).dot(evecs.T)
self.intercept_ = (-0.5 * np.diag(np.dot(self.means_, self.coef_.T))
+ np.log(self.priors_))
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