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"""
Randomized Lasso/Logistic: feature selection based on Lasso and
sparse Logistic Regression
"""
# Author: Gael Varoquaux, Alexandre Gramfort
#
# License: BSD 3 clause
import warnings
import itertools
from abc import ABCMeta, abstractmethod
import numpy as np
from scipy.sparse import issparse
from scipy import sparse
from scipy.interpolate import interp1d
from .base import _preprocess_data
from ..base import BaseEstimator
from ..externals import six
from ..utils import Memory, Parallel, delayed
from ..feature_selection.base import SelectorMixin
from ..utils import (as_float_array, check_random_state, check_X_y, safe_mask,
deprecated)
from ..utils.validation import check_is_fitted
from .least_angle import lars_path, LassoLarsIC
from .logistic import LogisticRegression
from ..exceptions import ConvergenceWarning
###############################################################################
# Randomized linear model: feature selection
def _resample_model(estimator_func, X, y, scaling=.5, n_resampling=200,
n_jobs=None, verbose=False, pre_dispatch='3*n_jobs',
random_state=None, sample_fraction=.75, **params):
random_state = check_random_state(random_state)
# We are generating 1 - weights, and not weights
n_samples, n_features = X.shape
if not (0 < scaling < 1):
raise ValueError(
"'scaling' should be between 0 and 1. Got %r instead." % scaling)
scaling = 1. - scaling
scores_ = 0.0
for active_set in Parallel(n_jobs=n_jobs, verbose=verbose,
pre_dispatch=pre_dispatch)(
delayed(estimator_func)(
X, y, weights=scaling * random_state.randint(
0, 2, size=(n_features,)),
mask=(random_state.rand(n_samples) < sample_fraction),
verbose=max(0, verbose - 1),
**params)
for _ in range(n_resampling)):
scores_ += active_set
scores_ /= n_resampling
return scores_
@deprecated("The class BaseRandomizedLinearModel is deprecated in 0.19"
" and will be removed in 0.21.")
class BaseRandomizedLinearModel(six.with_metaclass(ABCMeta, BaseEstimator,
SelectorMixin)):
"""Base class to implement randomized linear models for feature selection
This implements the strategy by Meinshausen and Buhlman:
stability selection with randomized sampling, and random re-weighting of
the penalty.
"""
@abstractmethod
def __init__(self):
pass
_preprocess_data = staticmethod(_preprocess_data)
def fit(self, X, y):
"""Fit the model using X, y as training data.
Parameters
----------
X : array-like, shape = [n_samples, n_features]
Training data.
y : array-like, shape = [n_samples]
Target values. Will be cast to X's dtype if necessary
Returns
-------
self : object
Returns an instance of self.
"""
X, y = check_X_y(X, y, ['csr', 'csc'], y_numeric=True,
ensure_min_samples=2, estimator=self)
X = as_float_array(X, copy=False)
n_samples, n_features = X.shape
X, y, X_offset, y_offset, X_scale = \
self._preprocess_data(X, y, self.fit_intercept, self.normalize)
estimator_func, params = self._make_estimator_and_params(X, y)
memory = self.memory
if memory is None:
memory = Memory(cachedir=None, verbose=0)
elif isinstance(memory, six.string_types):
memory = Memory(cachedir=memory, verbose=0)
elif not isinstance(memory, Memory):
raise ValueError("'memory' should either be a string or"
" a sklearn.utils.Memory"
" instance, got 'memory={!r}' instead.".format(
type(memory)))
scores_ = memory.cache(
_resample_model, ignore=['verbose', 'n_jobs', 'pre_dispatch']
)(
estimator_func, X, y,
scaling=self.scaling, n_resampling=self.n_resampling,
n_jobs=self.n_jobs, verbose=self.verbose,
pre_dispatch=self.pre_dispatch, random_state=self.random_state,
sample_fraction=self.sample_fraction, **params)
if scores_.ndim == 1:
scores_ = scores_[:, np.newaxis]
self.all_scores_ = scores_
self.scores_ = np.max(self.all_scores_, axis=1)
return self
def _make_estimator_and_params(self, X, y):
"""Return the parameters passed to the estimator"""
raise NotImplementedError
def _get_support_mask(self):
"""Get the boolean mask indicating which features are selected.
Returns
-------
support : boolean array of shape [# input features]
An element is True iff its corresponding feature is selected
for retention.
"""
check_is_fitted(self, 'scores_')
return self.scores_ > self.selection_threshold
###############################################################################
# Randomized lasso: regression settings
def _randomized_lasso(X, y, weights, mask, alpha=1., verbose=False,
precompute=False, eps=np.finfo(np.float).eps,
max_iter=500):
X = X[safe_mask(X, mask)]
y = y[mask]
# Center X and y to avoid fit the intercept
X -= X.mean(axis=0)
y -= y.mean()
alpha = np.atleast_1d(np.asarray(alpha, dtype=np.float64))
X = (1 - weights) * X
with warnings.catch_warnings():
warnings.simplefilter('ignore', ConvergenceWarning)
alphas_, _, coef_ = lars_path(X, y,
Gram=precompute, copy_X=False,
copy_Gram=False, alpha_min=np.min(alpha),
method='lasso', verbose=verbose,
max_iter=max_iter, eps=eps)
if len(alpha) > 1:
if len(alphas_) > 1: # np.min(alpha) < alpha_min
interpolator = interp1d(alphas_[::-1], coef_[:, ::-1],
bounds_error=False, fill_value=0.)
scores = (interpolator(alpha) != 0.0)
else:
scores = np.zeros((X.shape[1], len(alpha)), dtype=np.bool)
else:
scores = coef_[:, -1] != 0.0
return scores
@deprecated("The class RandomizedLasso is deprecated in 0.19"
" and will be removed in 0.21.")
class RandomizedLasso(BaseRandomizedLinearModel):
"""Randomized Lasso.
Randomized Lasso works by subsampling the training data and
computing a Lasso estimate where the penalty of a random subset of
coefficients has been scaled. By performing this double
randomization several times, the method assigns high scores to
features that are repeatedly selected across randomizations. This
is known as stability selection. In short, features selected more
often are considered good features.
Parameters
----------
alpha : float, 'aic', or 'bic', optional
The regularization parameter alpha parameter in the Lasso.
Warning: this is not the alpha parameter in the stability selection
article which is scaling.
scaling : float, optional
The s parameter used to randomly scale the penalty of different
features.
Should be between 0 and 1.
sample_fraction : float, optional
The fraction of samples to be used in each randomized design.
Should be between 0 and 1. If 1, all samples are used.
n_resampling : int, optional
Number of randomized models.
selection_threshold : float, optional
The score above which features should be selected.
fit_intercept : boolean, optional
whether to calculate the intercept for this model. If set
to false, no intercept will be used in calculations
(e.g. data is expected to be already centered).
verbose : boolean or integer, optional
Sets the verbosity amount
normalize : boolean, optional, default True
If True, the regressors X will be normalized before regression.
This parameter is ignored when `fit_intercept` is set to False.
When the regressors are normalized, note that this makes the
hyperparameters learned more robust and almost independent of
the number of samples. The same property is not valid for
standardized data. However, if you wish to standardize, please
use `preprocessing.StandardScaler` before calling `fit` on an
estimator with `normalize=False`.
precompute : True | False | 'auto' | array-like
Whether to use a precomputed Gram matrix to speed up calculations.
If set to 'auto' let us decide.
The Gram matrix can also be passed as argument, but it will be used
only for the selection of parameter alpha, if alpha is 'aic' or 'bic'.
max_iter : integer, optional
Maximum number of iterations to perform in the Lars algorithm.
eps : float, optional
The machine-precision regularization in the computation of the
Cholesky diagonal factors. Increase this for very ill-conditioned
systems. Unlike the 'tol' parameter in some iterative
optimization-based algorithms, this parameter does not control
the tolerance of the optimization.
random_state : int, RandomState instance or None, optional (default=None)
If int, random_state is the seed used by the random number generator;
If RandomState instance, random_state is the random number generator;
If None, the random number generator is the RandomState instance used
by `np.random`.
n_jobs : int or None, optional (default=None)
Number of CPUs to use during the resampling.
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
``-1`` means using all processors. See :term:`Glossary <n_jobs>`
for more details.
pre_dispatch : int, or string, optional
Controls the number of jobs that get dispatched during parallel
execution. Reducing this number can be useful to avoid an
explosion of memory consumption when more jobs get dispatched
than CPUs can process. This parameter can be:
- None, in which case all the jobs are immediately
created and spawned. Use this for lightweight and
fast-running jobs, to avoid delays due to on-demand
spawning of the jobs
- An int, giving the exact number of total jobs that are
spawned
- A string, giving an expression as a function of n_jobs,
as in '2*n_jobs'
memory : None, str or object with the joblib.Memory interface, optional \
(default=None)
Used for internal caching. By default, no caching is done.
If a string is given, it is the path to the caching directory.
Attributes
----------
scores_ : array, shape = [n_features]
Feature scores between 0 and 1.
all_scores_ : array, shape = [n_features, n_reg_parameter]
Feature scores between 0 and 1 for all values of the regularization \
parameter. The reference article suggests ``scores_`` is the max of \
``all_scores_``.
Examples
--------
>>> from sklearn.linear_model import RandomizedLasso
>>> randomized_lasso = RandomizedLasso() # doctest: +SKIP
References
----------
Stability selection
Nicolai Meinshausen, Peter Buhlmann
Journal of the Royal Statistical Society: Series B
Volume 72, Issue 4, pages 417-473, September 2010
DOI: 10.1111/j.1467-9868.2010.00740.x
See also
--------
RandomizedLogisticRegression, Lasso, ElasticNet
"""
def __init__(self, alpha='aic', scaling=.5, sample_fraction=.75,
n_resampling=200, selection_threshold=.25,
fit_intercept=True, verbose=False,
normalize=True, precompute='auto',
max_iter=500,
eps=np.finfo(np.float).eps, random_state=None,
n_jobs=None, pre_dispatch='3*n_jobs',
memory=None):
self.alpha = alpha
self.scaling = scaling
self.sample_fraction = sample_fraction
self.n_resampling = n_resampling
self.fit_intercept = fit_intercept
self.max_iter = max_iter
self.verbose = verbose
self.normalize = normalize
self.precompute = precompute
self.eps = eps
self.random_state = random_state
self.n_jobs = n_jobs
self.selection_threshold = selection_threshold
self.pre_dispatch = pre_dispatch
self.memory = memory
def _make_estimator_and_params(self, X, y):
alpha = self.alpha
if isinstance(alpha, six.string_types) and alpha in ('aic', 'bic'):
model = LassoLarsIC(precompute=self.precompute,
criterion=self.alpha,
max_iter=self.max_iter,
eps=self.eps)
model.fit(X, y)
self.alpha_ = alpha = model.alpha_
precompute = self.precompute
# A precomputed Gram array is useless, since _randomized_lasso
# change X a each iteration
if hasattr(precompute, '__array__'):
precompute = 'auto'
assert precompute in (True, False, None, 'auto')
return _randomized_lasso, dict(alpha=alpha, max_iter=self.max_iter,
eps=self.eps,
precompute=precompute)
###############################################################################
# Randomized logistic: classification settings
def _randomized_logistic(X, y, weights, mask, C=1., verbose=False,
fit_intercept=True, tol=1e-3):
X = X[safe_mask(X, mask)]
y = y[mask]
if issparse(X):
size = len(weights)
weight_dia = sparse.dia_matrix((1 - weights, 0), (size, size))
X = X * weight_dia
else:
X *= (1 - weights)
C = np.atleast_1d(np.asarray(C, dtype=np.float64))
if C.ndim > 1:
raise ValueError("C should be 1-dimensional array-like, "
"but got a {}-dimensional array-like instead: {}."
.format(C.ndim, C))
scores = np.zeros((X.shape[1], len(C)), dtype=np.bool)
for this_C, this_scores in zip(C, scores.T):
# XXX : would be great to do it with a warm_start ...
clf = LogisticRegression(C=this_C, tol=tol, penalty='l1', dual=False,
fit_intercept=fit_intercept,
solver='liblinear', multi_class='ovr')
clf.fit(X, y)
this_scores[:] = np.any(
np.abs(clf.coef_) > 10 * np.finfo(np.float).eps, axis=0)
return scores
@deprecated("The class RandomizedLogisticRegression is deprecated in 0.19"
" and will be removed in 0.21.")
class RandomizedLogisticRegression(BaseRandomizedLinearModel):
"""Randomized Logistic Regression
Randomized Logistic Regression works by subsampling the training
data and fitting a L1-penalized LogisticRegression model where the
penalty of a random subset of coefficients has been scaled. By
performing this double randomization several times, the method
assigns high scores to features that are repeatedly selected across
randomizations. This is known as stability selection. In short,
features selected more often are considered good features.
Parameters
----------
C : float or array-like of shape [n_reg_parameter], optional, default=1
The regularization parameter C in the LogisticRegression.
When C is an array, fit will take each regularization parameter in C
one by one for LogisticRegression and store results for each one
in ``all_scores_``, where columns and rows represent corresponding
reg_parameters and features.
scaling : float, optional, default=0.5
The s parameter used to randomly scale the penalty of different
features.
Should be between 0 and 1.
sample_fraction : float, optional, default=0.75
The fraction of samples to be used in each randomized design.
Should be between 0 and 1. If 1, all samples are used.
n_resampling : int, optional, default=200
Number of randomized models.
selection_threshold : float, optional, default=0.25
The score above which features should be selected.
tol : float, optional, default=1e-3
tolerance for stopping criteria of LogisticRegression
fit_intercept : boolean, optional, default=True
whether to calculate the intercept for this model. If set
to false, no intercept will be used in calculations
(e.g. data is expected to be already centered).
verbose : boolean or integer, optional
Sets the verbosity amount
normalize : boolean, optional, default True
If True, the regressors X will be normalized before regression.
This parameter is ignored when `fit_intercept` is set to False.
When the regressors are normalized, note that this makes the
hyperparameters learnt more robust and almost independent of the number
of samples. The same property is not valid for standardized data.
However, if you wish to standardize, please use
`preprocessing.StandardScaler` before calling `fit` on an estimator
with `normalize=False`.
random_state : int, RandomState instance or None, optional (default=None)
If int, random_state is the seed used by the random number generator;
If RandomState instance, random_state is the random number generator;
If None, the random number generator is the RandomState instance used
by `np.random`.
n_jobs : int or None, optional (default=None)
Number of CPUs to use during the resampling.
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
``-1`` means using all processors. See :term:`Glossary <n_jobs>`
for more details.
pre_dispatch : int, or string, optional
Controls the number of jobs that get dispatched during parallel
execution. Reducing this number can be useful to avoid an
explosion of memory consumption when more jobs get dispatched
than CPUs can process. This parameter can be:
- None, in which case all the jobs are immediately
created and spawned. Use this for lightweight and
fast-running jobs, to avoid delays due to on-demand
spawning of the jobs
- An int, giving the exact number of total jobs that are
spawned
- A string, giving an expression as a function of n_jobs,
as in '2*n_jobs'
memory : None, str or object with the joblib.Memory interface, optional \
(default=None)
Used for internal caching. By default, no caching is done.
If a string is given, it is the path to the caching directory.
Attributes
----------
scores_ : array, shape = [n_features]
Feature scores between 0 and 1.
all_scores_ : array, shape = [n_features, n_reg_parameter]
Feature scores between 0 and 1 for all values of the regularization \
parameter. The reference article suggests ``scores_`` is the max \
of ``all_scores_``.
Examples
--------
>>> from sklearn.linear_model import RandomizedLogisticRegression
>>> randomized_logistic = RandomizedLogisticRegression() # doctest: +SKIP
References
----------
Stability selection
Nicolai Meinshausen, Peter Buhlmann
Journal of the Royal Statistical Society: Series B
Volume 72, Issue 4, pages 417-473, September 2010
DOI: 10.1111/j.1467-9868.2010.00740.x
See also
--------
RandomizedLasso, LogisticRegression
"""
def __init__(self, C=1, scaling=.5, sample_fraction=.75,
n_resampling=200,
selection_threshold=.25, tol=1e-3,
fit_intercept=True, verbose=False,
normalize=True,
random_state=None,
n_jobs=None, pre_dispatch='3*n_jobs',
memory=None):
self.C = C
self.scaling = scaling
self.sample_fraction = sample_fraction
self.n_resampling = n_resampling
self.fit_intercept = fit_intercept
self.verbose = verbose
self.normalize = normalize
self.tol = tol
self.random_state = random_state
self.n_jobs = n_jobs
self.selection_threshold = selection_threshold
self.pre_dispatch = pre_dispatch
self.memory = memory
def _make_estimator_and_params(self, X, y):
params = dict(C=self.C, tol=self.tol,
fit_intercept=self.fit_intercept)
return _randomized_logistic, params
def _preprocess_data(self, X, y, fit_intercept, normalize=False):
"""Center the data in X but not in y"""
X, _, X_offset, _, X_scale = _preprocess_data(X, y, fit_intercept,
normalize=normalize)
return X, y, X_offset, y, X_scale
###############################################################################
# Stability paths
def _lasso_stability_path(X, y, mask, weights, eps):
"Inner loop of lasso_stability_path"
X = X * weights[np.newaxis, :]
X = X[safe_mask(X, mask), :]
y = y[mask]
alpha_max = np.max(np.abs(np.dot(X.T, y))) / X.shape[0]
alpha_min = eps * alpha_max # set for early stopping in path
with warnings.catch_warnings():
warnings.simplefilter('ignore', ConvergenceWarning)
alphas, _, coefs = lars_path(X, y, method='lasso', verbose=False,
alpha_min=alpha_min)
# Scale alpha by alpha_max
alphas /= alphas[0]
# Sort alphas in ascending order
alphas = alphas[::-1]
coefs = coefs[:, ::-1]
# Get rid of the alphas that are too small
mask = alphas >= eps
# We also want to keep the first one: it should be close to the OLS
# solution
mask[0] = True
alphas = alphas[mask]
coefs = coefs[:, mask]
return alphas, coefs
@deprecated("The function lasso_stability_path is deprecated in 0.19"
" and will be removed in 0.21.")
def lasso_stability_path(X, y, scaling=0.5, random_state=None,
n_resampling=200, n_grid=100,
sample_fraction=0.75,
eps=4 * np.finfo(np.float).eps, n_jobs=None,
verbose=False):
"""Stability path based on randomized Lasso estimates
Parameters
----------
X : array-like, shape = [n_samples, n_features]
training data.
y : array-like, shape = [n_samples]
target values.
scaling : float, optional, default=0.5
The alpha parameter in the stability selection article used to
randomly scale the features. Should be between 0 and 1.
random_state : int, RandomState instance or None, optional, default=None
The generator used to randomize the design. If int, random_state is
the seed used by the random number generator; If RandomState instance,
random_state is the random number generator; If None, the random number
generator is the RandomState instance used by `np.random`.
n_resampling : int, optional, default=200
Number of randomized models.
n_grid : int, optional, default=100
Number of grid points. The path is linearly reinterpolated
on a grid between 0 and 1 before computing the scores.
sample_fraction : float, optional, default=0.75
The fraction of samples to be used in each randomized design.
Should be between 0 and 1. If 1, all samples are used.
eps : float, optional
Smallest value of alpha / alpha_max considered
n_jobs : int or None, optional (default=None)
Number of CPUs to use during the resampling.
``None`` means 1 unless in a :obj:`joblib.parallel_backend` context.
``-1`` means using all processors. See :term:`Glossary <n_jobs>`
for more details.
verbose : boolean or integer, optional
Sets the verbosity amount
Returns
-------
alphas_grid : array, shape ~ [n_grid]
The grid points between 0 and 1: alpha/alpha_max
scores_path : array, shape = [n_features, n_grid]
The scores for each feature along the path.
"""
X, y = check_X_y(X, y, accept_sparse=['csr', 'csc', 'coo'])
rng = check_random_state(random_state)
if not (0 < scaling < 1):
raise ValueError("Parameter 'scaling' should be between 0 and 1."
" Got %r instead." % scaling)
n_samples, n_features = X.shape
paths = Parallel(n_jobs=n_jobs, verbose=verbose)(
delayed(_lasso_stability_path)(
X, y, mask=rng.rand(n_samples) < sample_fraction,
weights=1. - scaling * rng.randint(0, 2, size=(n_features,)),
eps=eps)
for k in range(n_resampling))
all_alphas = sorted(list(set(itertools.chain(*[p[0] for p in paths]))))
# Take approximately n_grid values
stride = int(max(1, int(len(all_alphas) / float(n_grid))))
all_alphas = all_alphas[::stride]
if not all_alphas[-1] == 1:
all_alphas.append(1.)
all_alphas = np.array(all_alphas)
scores_path = np.zeros((n_features, len(all_alphas)))
for alphas, coefs in paths:
if alphas[0] != 0:
alphas = np.r_[0, alphas]
coefs = np.c_[np.ones((n_features, 1)), coefs]
if alphas[-1] != all_alphas[-1]:
alphas = np.r_[alphas, all_alphas[-1]]
coefs = np.c_[coefs, np.zeros((n_features, 1))]
scores_path += (interp1d(alphas, coefs,
kind='nearest', bounds_error=False,
fill_value=0, axis=-1)(all_alphas) != 0)
scores_path /= n_resampling
return all_alphas, scores_path
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