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"""Base classes for all estimators."""
# Author: Gael Varoquaux <gael.varoquaux@normalesup.org>
# License: BSD 3 clause
import copy
import warnings
from collections import defaultdict
import numpy as np
from scipy import sparse
from .externals import six
from .utils.fixes import signature
from . import __version__
##############################################################################
def _first_and_last_element(arr):
"""Returns first and last element of numpy array or sparse matrix."""
if isinstance(arr, np.ndarray) or hasattr(arr, 'data'):
# numpy array or sparse matrix with .data attribute
data = arr.data if sparse.issparse(arr) else arr
return data.flat[0], data.flat[-1]
else:
# Sparse matrices without .data attribute. Only dok_matrix at
# the time of writing, in this case indexing is fast
return arr[0, 0], arr[-1, -1]
def clone(estimator, safe=True):
"""Constructs a new estimator with the same parameters.
Clone does a deep copy of the model in an estimator
without actually copying attached data. It yields a new estimator
with the same parameters that has not been fit on any data.
Parameters
----------
estimator : estimator object, or list, tuple or set of objects
The estimator or group of estimators to be cloned
safe : boolean, optional
If safe is false, clone will fall back to a deep copy on objects
that are not estimators.
"""
estimator_type = type(estimator)
# XXX: not handling dictionaries
if estimator_type in (list, tuple, set, frozenset):
return estimator_type([clone(e, safe=safe) for e in estimator])
elif not hasattr(estimator, 'get_params'):
if not safe:
return copy.deepcopy(estimator)
else:
raise TypeError("Cannot clone object '%s' (type %s): "
"it does not seem to be a scikit-learn estimator "
"as it does not implement a 'get_params' methods."
% (repr(estimator), type(estimator)))
klass = estimator.__class__
new_object_params = estimator.get_params(deep=False)
for name, param in six.iteritems(new_object_params):
new_object_params[name] = clone(param, safe=False)
new_object = klass(**new_object_params)
params_set = new_object.get_params(deep=False)
# quick sanity check of the parameters of the clone
for name in new_object_params:
param1 = new_object_params[name]
param2 = params_set[name]
if param1 is not param2:
raise RuntimeError('Cannot clone object %s, as the constructor '
'either does not set or modifies parameter %s' %
(estimator, name))
return new_object
###############################################################################
def _pprint(params, offset=0, printer=repr):
"""Pretty print the dictionary 'params'
Parameters
----------
params : dict
The dictionary to pretty print
offset : int
The offset in characters to add at the begin of each line.
printer : callable
The function to convert entries to strings, typically
the builtin str or repr
"""
# Do a multi-line justified repr:
options = np.get_printoptions()
np.set_printoptions(precision=5, threshold=64, edgeitems=2)
params_list = list()
this_line_length = offset
line_sep = ',\n' + (1 + offset // 2) * ' '
for i, (k, v) in enumerate(sorted(six.iteritems(params))):
if type(v) is float:
# use str for representing floating point numbers
# this way we get consistent representation across
# architectures and versions.
this_repr = '%s=%s' % (k, str(v))
else:
# use repr of the rest
this_repr = '%s=%s' % (k, printer(v))
if len(this_repr) > 500:
this_repr = this_repr[:300] + '...' + this_repr[-100:]
if i > 0:
if (this_line_length + len(this_repr) >= 75 or '\n' in this_repr):
params_list.append(line_sep)
this_line_length = len(line_sep)
else:
params_list.append(', ')
this_line_length += 2
params_list.append(this_repr)
this_line_length += len(this_repr)
np.set_printoptions(**options)
lines = ''.join(params_list)
# Strip trailing space to avoid nightmare in doctests
lines = '\n'.join(l.rstrip(' ') for l in lines.split('\n'))
return lines
###############################################################################
class BaseEstimator(object):
"""Base class for all estimators in scikit-learn
Notes
-----
All estimators should specify all the parameters that can be set
at the class level in their ``__init__`` as explicit keyword
arguments (no ``*args`` or ``**kwargs``).
"""
@classmethod
def _get_param_names(cls):
"""Get parameter names for the estimator"""
# fetch the constructor or the original constructor before
# deprecation wrapping if any
init = getattr(cls.__init__, 'deprecated_original', cls.__init__)
if init is object.__init__:
# No explicit constructor to introspect
return []
# introspect the constructor arguments to find the model parameters
# to represent
init_signature = signature(init)
# Consider the constructor parameters excluding 'self'
parameters = [p for p in init_signature.parameters.values()
if p.name != 'self' and p.kind != p.VAR_KEYWORD]
for p in parameters:
if p.kind == p.VAR_POSITIONAL:
raise RuntimeError("scikit-learn estimators should always "
"specify their parameters in the signature"
" of their __init__ (no varargs)."
" %s with constructor %s doesn't "
" follow this convention."
% (cls, init_signature))
# Extract and sort argument names excluding 'self'
return sorted([p.name for p in parameters])
def get_params(self, deep=True):
"""Get parameters for this estimator.
Parameters
----------
deep : boolean, optional
If True, will return the parameters for this estimator and
contained subobjects that are estimators.
Returns
-------
params : mapping of string to any
Parameter names mapped to their values.
"""
out = dict()
for key in self._get_param_names():
value = getattr(self, key, None)
if deep and hasattr(value, 'get_params'):
deep_items = value.get_params().items()
out.update((key + '__' + k, val) for k, val in deep_items)
out[key] = value
return out
def set_params(self, **params):
"""Set the parameters of this estimator.
The method works on simple estimators as well as on nested objects
(such as pipelines). The latter have parameters of the form
``<component>__<parameter>`` so that it's possible to update each
component of a nested object.
Returns
-------
self
"""
if not params:
# Simple optimization to gain speed (inspect is slow)
return self
valid_params = self.get_params(deep=True)
nested_params = defaultdict(dict) # grouped by prefix
for key, value in params.items():
key, delim, sub_key = key.partition('__')
if key not in valid_params:
raise ValueError('Invalid parameter %s for estimator %s. '
'Check the list of available parameters '
'with `estimator.get_params().keys()`.' %
(key, self))
if delim:
nested_params[key][sub_key] = value
else:
setattr(self, key, value)
valid_params[key] = value
for key, sub_params in nested_params.items():
valid_params[key].set_params(**sub_params)
return self
def __repr__(self):
class_name = self.__class__.__name__
return '%s(%s)' % (class_name, _pprint(self.get_params(deep=False),
offset=len(class_name),),)
def __getstate__(self):
try:
state = super(BaseEstimator, self).__getstate__()
except AttributeError:
state = self.__dict__.copy()
if type(self).__module__.startswith('sklearn.'):
return dict(state.items(), _sklearn_version=__version__)
else:
return state
def __setstate__(self, state):
if type(self).__module__.startswith('sklearn.'):
pickle_version = state.pop("_sklearn_version", "pre-0.18")
if pickle_version != __version__:
warnings.warn(
"Trying to unpickle estimator {0} from version {1} when "
"using version {2}. This might lead to breaking code or "
"invalid results. Use at your own risk.".format(
self.__class__.__name__, pickle_version, __version__),
UserWarning)
try:
super(BaseEstimator, self).__setstate__(state)
except AttributeError:
self.__dict__.update(state)
###############################################################################
class ClassifierMixin(object):
"""Mixin class for all classifiers in scikit-learn."""
_estimator_type = "classifier"
def score(self, X, y, sample_weight=None):
"""Returns the mean accuracy on the given test data and labels.
In multi-label classification, this is the subset accuracy
which is a harsh metric since you require for each sample that
each label set be correctly predicted.
Parameters
----------
X : array-like, shape = (n_samples, n_features)
Test samples.
y : array-like, shape = (n_samples) or (n_samples, n_outputs)
True labels for X.
sample_weight : array-like, shape = [n_samples], optional
Sample weights.
Returns
-------
score : float
Mean accuracy of self.predict(X) wrt. y.
"""
from .metrics import accuracy_score
return accuracy_score(y, self.predict(X), sample_weight=sample_weight)
###############################################################################
class RegressorMixin(object):
"""Mixin class for all regression estimators in scikit-learn."""
_estimator_type = "regressor"
def score(self, X, y, sample_weight=None):
"""Returns the coefficient of determination R^2 of the prediction.
The coefficient R^2 is defined as (1 - u/v), where u is the residual
sum of squares ((y_true - y_pred) ** 2).sum() and v is the total
sum of squares ((y_true - y_true.mean()) ** 2).sum().
The best possible score is 1.0 and it can be negative (because the
model can be arbitrarily worse). A constant model that always
predicts the expected value of y, disregarding the input features,
would get a R^2 score of 0.0.
Parameters
----------
X : array-like, shape = (n_samples, n_features)
Test samples. For some estimators this may be a
precomputed kernel matrix instead, shape = (n_samples,
n_samples_fitted], where n_samples_fitted is the number of
samples used in the fitting for the estimator.
y : array-like, shape = (n_samples) or (n_samples, n_outputs)
True values for X.
sample_weight : array-like, shape = [n_samples], optional
Sample weights.
Returns
-------
score : float
R^2 of self.predict(X) wrt. y.
"""
from .metrics import r2_score
return r2_score(y, self.predict(X), sample_weight=sample_weight,
multioutput='variance_weighted')
###############################################################################
class ClusterMixin(object):
"""Mixin class for all cluster estimators in scikit-learn."""
_estimator_type = "clusterer"
def fit_predict(self, X, y=None):
"""Performs clustering on X and returns cluster labels.
Parameters
----------
X : ndarray, shape (n_samples, n_features)
Input data.
y : Ignored
not used, present for API consistency by convention.
Returns
-------
labels : ndarray, shape (n_samples,)
cluster labels
"""
# non-optimized default implementation; override when a better
# method is possible for a given clustering algorithm
self.fit(X)
return self.labels_
class BiclusterMixin(object):
"""Mixin class for all bicluster estimators in scikit-learn"""
@property
def biclusters_(self):
"""Convenient way to get row and column indicators together.
Returns the ``rows_`` and ``columns_`` members.
"""
return self.rows_, self.columns_
def get_indices(self, i):
"""Row and column indices of the i'th bicluster.
Only works if ``rows_`` and ``columns_`` attributes exist.
Parameters
----------
i : int
The index of the cluster.
Returns
-------
row_ind : np.array, dtype=np.intp
Indices of rows in the dataset that belong to the bicluster.
col_ind : np.array, dtype=np.intp
Indices of columns in the dataset that belong to the bicluster.
"""
rows = self.rows_[i]
columns = self.columns_[i]
return np.nonzero(rows)[0], np.nonzero(columns)[0]
def get_shape(self, i):
"""Shape of the i'th bicluster.
Parameters
----------
i : int
The index of the cluster.
Returns
-------
shape : (int, int)
Number of rows and columns (resp.) in the bicluster.
"""
indices = self.get_indices(i)
return tuple(len(i) for i in indices)
def get_submatrix(self, i, data):
"""Returns the submatrix corresponding to bicluster `i`.
Parameters
----------
i : int
The index of the cluster.
data : array
The data.
Returns
-------
submatrix : array
The submatrix corresponding to bicluster i.
Notes
-----
Works with sparse matrices. Only works if ``rows_`` and
``columns_`` attributes exist.
"""
from .utils.validation import check_array
data = check_array(data, accept_sparse='csr')
row_ind, col_ind = self.get_indices(i)
return data[row_ind[:, np.newaxis], col_ind]
###############################################################################
class TransformerMixin(object):
"""Mixin class for all transformers in scikit-learn."""
def fit_transform(self, X, y=None, **fit_params):
"""Fit to data, then transform it.
Fits transformer to X and y with optional parameters fit_params
and returns a transformed version of X.
Parameters
----------
X : numpy array of shape [n_samples, n_features]
Training set.
y : numpy array of shape [n_samples]
Target values.
Returns
-------
X_new : numpy array of shape [n_samples, n_features_new]
Transformed array.
"""
# non-optimized default implementation; override when a better
# method is possible for a given clustering algorithm
if y is None:
# fit method of arity 1 (unsupervised transformation)
return self.fit(X, **fit_params).transform(X)
else:
# fit method of arity 2 (supervised transformation)
return self.fit(X, y, **fit_params).transform(X)
class DensityMixin(object):
"""Mixin class for all density estimators in scikit-learn."""
_estimator_type = "DensityEstimator"
def score(self, X, y=None):
"""Returns the score of the model on the data X
Parameters
----------
X : array-like, shape = (n_samples, n_features)
Returns
-------
score : float
"""
pass
class OutlierMixin(object):
"""Mixin class for all outlier detection estimators in scikit-learn."""
_estimator_type = "outlier_detector"
def fit_predict(self, X, y=None):
"""Performs outlier detection on X.
Returns -1 for outliers and 1 for inliers.
Parameters
----------
X : ndarray, shape (n_samples, n_features)
Input data.
y : Ignored
not used, present for API consistency by convention.
Returns
-------
y : ndarray, shape (n_samples,)
1 for inliers, -1 for outliers.
"""
# override for transductive outlier detectors like LocalOulierFactor
return self.fit(X).predict(X)
###############################################################################
class MetaEstimatorMixin(object):
"""Mixin class for all meta estimators in scikit-learn."""
# this is just a tag for the moment
###############################################################################
def is_classifier(estimator):
"""Returns True if the given estimator is (probably) a classifier.
Parameters
----------
estimator : object
Estimator object to test.
Returns
-------
out : bool
True if estimator is a classifier and False otherwise.
"""
return getattr(estimator, "_estimator_type", None) == "classifier"
def is_regressor(estimator):
"""Returns True if the given estimator is (probably) a regressor.
Parameters
----------
estimator : object
Estimator object to test.
Returns
-------
out : bool
True if estimator is a regressor and False otherwise.
"""
return getattr(estimator, "_estimator_type", None) == "regressor"
def is_outlier_detector(estimator):
"""Returns True if the given estimator is (probably) an outlier detector.
Parameters
----------
estimator : object
Estimator object to test.
Returns
-------
out : bool
True if estimator is an outlier detector and False otherwise.
"""
return getattr(estimator, "_estimator_type", None) == "outlier_detector"