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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 itertools
from abc import ABCMeta, abstractmethod
import warnings
import numpy as np
from scipy.sparse import issparse
from scipy import sparse
from scipy.interpolate import interp1d
from .base import center_data
from ..base import BaseEstimator, TransformerMixin
from ..externals import six
from ..externals.joblib import Memory, Parallel, delayed
from ..utils import (as_float_array, check_random_state, safe_asarray,
check_arrays, safe_mask, ConvergenceWarning)
from .least_angle import lars_path, LassoLarsIC
from .logistic import LogisticRegression
###############################################################################
# Randomized linear model: feature selection
def _resample_model(estimator_func, X, y, scaling=.5, n_resampling=200,
n_jobs=1, 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.random_integers(
0, 1, 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_
class BaseRandomizedLinearModel(six.with_metaclass(ABCMeta, BaseEstimator,
TransformerMixin)):
"""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
_center_data = staticmethod(center_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.
Returns
-------
self : object
returns an instance of self.
"""
X, y = check_arrays(X, y)
X = as_float_array(X, copy=False)
n_samples, n_features = X.shape
X, y, X_mean, y_mean, X_std = self._center_data(X, y,
self.fit_intercept,
self.normalize)
estimator_func, params = self._make_estimator_and_params(X, y)
memory = self.memory
if isinstance(memory, six.string_types):
memory = Memory(cachedir=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(self, indices=False):
"""Return a mask, or list, of the features/indices selected."""
mask = self.scores_ > self.selection_threshold
return mask if not indices else np.where(mask)[0]
# XXX: the two function below are copy/pasted from feature_selection,
# Should we add an intermediate base class?
def transform(self, X):
"""Transform a new matrix using the selected features"""
mask = self.get_support()
if len(mask) != X.shape[1]:
raise ValueError("X has a different shape than during fitting.")
return safe_asarray(X)[:, safe_mask(X, mask)]
def inverse_transform(self, X):
"""Transform a new matrix using the selected features"""
support = self.get_support()
if X.ndim == 1:
X = X[None, :]
Xt = np.zeros((X.shape[0], support.size))
Xt[:, support] = X
return Xt
###############################################################################
# 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.float))
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
class RandomizedLasso(BaseRandomizedLinearModel):
"""Randomized Lasso.
Randomized Lasso works by resampling the train data and computing
a Lasso on each resampling. In short, the features selected more
often are good features. It is also known as stability selection.
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 alpha parameter in the stability selection article used to
randomly scale the 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.
precompute : True | False | 'auto'
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.
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.
n_jobs : integer, optional
Number of CPUs to use during the resampling. If '-1', use
all the CPUs
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`.
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 : Instance of joblib.Memory or string
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()
Notes
-----
See examples/linear_model/plot_sparse_recovery.py for an example.
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, LogisticRegression
"""
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=1, pre_dispatch='3*n_jobs',
memory=Memory(cachedir=None, verbose=0)):
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):
assert self.precompute in (True, False, None, 'auto')
alpha = self.alpha
if 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_
return _randomized_lasso, dict(alpha=alpha, max_iter=self.max_iter,
eps=self.eps,
precompute=self.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.float))
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)
clf.fit(X, y)
this_scores[:] = np.any(
np.abs(clf.coef_) > 10 * np.finfo(np.float).eps, axis=0)
return scores
class RandomizedLogisticRegression(BaseRandomizedLinearModel):
"""Randomized Logistic Regression
Randomized Regression works by resampling the train data and computing
a LogisticRegression on each resampling. In short, the features selected
more often are good features. It is also known as stability selection.
Parameters
----------
C : float, optional, default=1
The regularization parameter C in the LogisticRegression.
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.
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.
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.
tol : float, optional, default=1e-3
tolerance for stopping criteria of LogisticRegression
n_jobs : integer, optional
Number of CPUs to use during the resampling. If '-1', use
all the CPUs
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`.
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 : Instance of joblib.Memory or string
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()
Notes
-----
See examples/linear_model/plot_sparse_recovery.py for an example.
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, Lasso, ElasticNet
"""
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=1, pre_dispatch='3*n_jobs',
memory=Memory(cachedir=None, verbose=0)):
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 _center_data(self, X, y, fit_intercept, normalize=False):
"""Center the data in X but not in y"""
X, _, Xmean, _, X_std = center_data(X, y, fit_intercept,
normalize=normalize)
return X, y, Xmean, y, X_std
###############################################################################
# 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 assending 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
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=1,
verbose=False):
"""Stabiliy 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 : integer or numpy.random.RandomState, optional
The generator used to randomize the design.
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 : integer, optional
Number of CPUs to use during the resampling. If '-1', use
all the CPUs
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.
Notes
-----
See examples/linear_model/plot_sparse_recovery.py for an example.
"""
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.random_integers(0, 1,
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