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kmike/scikit-learn
sklearn/utils/__init__.py
3
10094
""" The :mod:`sklearn.utils` module includes various utilites. """ from collections import Sequence import numpy as np from scipy.sparse import issparse import warnings from .murmurhash import murmurhash3_32 from .validation import (as_float_array, check_arrays, safe_asarray, assert_all_finite, array2d, atleast2d_or_csc, atleast2d_or_csr, warn_if_not_float, check_random_state) from .class_weight import compute_class_weight __all__ = ["murmurhash3_32", "as_float_array", "check_arrays", "safe_asarray", "assert_all_finite", "array2d", "atleast2d_or_csc", "atleast2d_or_csr", "warn_if_not_float", "check_random_state", "compute_class_weight"] # Make sure that DeprecationWarning get printed warnings.simplefilter("always", DeprecationWarning) class deprecated(object): """Decorator to mark a function or class as deprecated. Issue a warning when the function is called/the class is instantiated and adds a warning to the docstring. The optional extra argument will be appended to the deprecation message and the docstring. Note: to use this with the default value for extra, put in an empty of parentheses: >>> from sklearn.utils import deprecated >>> deprecated() # doctest: +ELLIPSIS <sklearn.utils.deprecated object at ...> >>> @deprecated() ... def some_function(): pass """ # Adapted from http://wiki.python.org/moin/PythonDecoratorLibrary, # but with many changes. def __init__(self, extra=''): """ Parameters ---------- extra: string to be added to the deprecation messages """ self.extra = extra def __call__(self, obj): if isinstance(obj, type): return self._decorate_class(obj) else: return self._decorate_fun(obj) def _decorate_class(self, cls): msg = "Class %s is deprecated" % cls.__name__ if self.extra: msg += "; %s" % self.extra # FIXME: we should probably reset __new__ for full generality init = cls.__init__ def wrapped(*args, **kwargs): warnings.warn(msg, category=DeprecationWarning) return init(*args, **kwargs) cls.__init__ = wrapped wrapped.__name__ = '__init__' wrapped.__doc__ = self._update_doc(init.__doc__) wrapped.deprecated_original = init return cls def _decorate_fun(self, fun): """Decorate function fun""" msg = "Function %s is deprecated" % fun.__name__ if self.extra: msg += "; %s" % self.extra def wrapped(*args, **kwargs): warnings.warn(msg, category=DeprecationWarning) return fun(*args, **kwargs) wrapped.__name__ = fun.__name__ wrapped.__dict__ = fun.__dict__ wrapped.__doc__ = self._update_doc(fun.__doc__) return wrapped def _update_doc(self, olddoc): newdoc = "DEPRECATED" if self.extra: newdoc = "%s: %s" % (newdoc, self.extra) if olddoc: newdoc = "%s\n\n%s" % (newdoc, olddoc) return newdoc def safe_mask(X, mask): """Return a mask which is safe to use on X. Parameters ---------- X : {array-like, sparse matrix} Data on which to apply mask. mask: array Mask to be used on X. Returns ------- mask """ mask = np.asanyarray(mask) if np.issubdtype(mask.dtype, np.int): return mask if hasattr(X, "toarray"): ind = np.arange(mask.shape[0]) mask = ind[mask] return mask def resample(*arrays, **options): """Resample arrays or sparse matrices in a consistent way The default strategy implements one step of the bootstrapping procedure. Parameters ---------- `*arrays` : sequence of arrays or scipy.sparse matrices with same shape[0] replace : boolean, True by default Implements resampling with replacement. If False, this will implement (sliced) random permutations. n_samples : int, None by default Number of samples to generate. If left to None this is automatically set to the first dimension of the arrays. random_state : int or RandomState instance Control the shuffling for reproducible behavior. Returns ------- Sequence of resampled views of the collections. The original arrays are not impacted. Examples -------- It is possible to mix sparse and dense arrays in the same run:: >>> X = [[1., 0.], [2., 1.], [0., 0.]] >>> y = np.array([0, 1, 2]) >>> from scipy.sparse import coo_matrix >>> X_sparse = coo_matrix(X) >>> from sklearn.utils import resample >>> X, X_sparse, y = resample(X, X_sparse, y, random_state=0) >>> X array([[ 1., 0.], [ 2., 1.], [ 1., 0.]]) >>> X_sparse # doctest: +ELLIPSIS +NORMALIZE_WHITESPACE <3x2 sparse matrix of type '<... 'numpy.float64'>' with 4 stored elements in Compressed Sparse Row format> >>> X_sparse.toarray() array([[ 1., 0.], [ 2., 1.], [ 1., 0.]]) >>> y array([0, 1, 0]) >>> resample(y, n_samples=2, random_state=0) array([0, 1]) See also -------- :class:`sklearn.cross_validation.Bootstrap` :func:`sklearn.utils.shuffle` """ random_state = check_random_state(options.pop('random_state', None)) replace = options.pop('replace', True) max_n_samples = options.pop('n_samples', None) if options: raise ValueError("Unexpected kw arguments: %r" % options.keys()) if len(arrays) == 0: return None first = arrays[0] n_samples = first.shape[0] if hasattr(first, 'shape') else len(first) if max_n_samples is None: max_n_samples = n_samples if max_n_samples > n_samples: raise ValueError("Cannot sample %d out of arrays with dim %d" % ( max_n_samples, n_samples)) arrays = check_arrays(*arrays, sparse_format='csr') if replace: indices = random_state.randint(0, n_samples, size=(max_n_samples,)) else: indices = np.arange(n_samples) random_state.shuffle(indices) indices = indices[:max_n_samples] resampled_arrays = [] for array in arrays: array = array[indices] resampled_arrays.append(array) if len(resampled_arrays) == 1: # syntactic sugar for the unit argument case return resampled_arrays[0] else: return resampled_arrays def shuffle(*arrays, **options): """Shuffle arrays or sparse matrices in a consistent way This is a convenience alias to ``resample(*arrays, replace=False)`` to do random permutations of the collections. Parameters ---------- `*arrays` : sequence of arrays or scipy.sparse matrices with same shape[0] random_state : int or RandomState instance Control the shuffling for reproducible behavior. n_samples : int, None by default Number of samples to generate. If left to None this is automatically set to the first dimension of the arrays. Returns ------- Sequence of shuffled views of the collections. The original arrays are not impacted. Examples -------- It is possible to mix sparse and dense arrays in the same run:: >>> X = [[1., 0.], [2., 1.], [0., 0.]] >>> y = np.array([0, 1, 2]) >>> from scipy.sparse import coo_matrix >>> X_sparse = coo_matrix(X) >>> from sklearn.utils import shuffle >>> X, X_sparse, y = shuffle(X, X_sparse, y, random_state=0) >>> X array([[ 0., 0.], [ 2., 1.], [ 1., 0.]]) >>> X_sparse # doctest: +ELLIPSIS +NORMALIZE_WHITESPACE <3x2 sparse matrix of type '<... 'numpy.float64'>' with 3 stored elements in Compressed Sparse Row format> >>> X_sparse.toarray() array([[ 0., 0.], [ 2., 1.], [ 1., 0.]]) >>> y array([2, 1, 0]) >>> shuffle(y, n_samples=2, random_state=0) array([0, 1]) See also -------- :func:`sklearn.utils.resample` """ options['replace'] = False return resample(*arrays, **options) def safe_sqr(X, copy=True): """Element wise squaring of array-likes and sparse matrices. Parameters ---------- X : array like, matrix, sparse matrix Returns ------- X ** 2 : element wise square """ X = safe_asarray(X) if issparse(X): if copy: X = X.copy() X.data **= 2 else: if copy: X = X ** 2 else: X **= 2 return X def gen_even_slices(n, n_packs): """Generator to create n_packs slices going up to n. Examples -------- >>> from sklearn.utils import gen_even_slices >>> list(gen_even_slices(10, 1)) [slice(0, 10, None)] >>> list(gen_even_slices(10, 10)) #doctest: +ELLIPSIS [slice(0, 1, None), slice(1, 2, None), ..., slice(9, 10, None)] >>> list(gen_even_slices(10, 5)) #doctest: +ELLIPSIS [slice(0, 2, None), slice(2, 4, None), ..., slice(8, 10, None)] >>> list(gen_even_slices(10, 3)) [slice(0, 4, None), slice(4, 7, None), slice(7, 10, None)] """ start = 0 for pack_num in range(n_packs): this_n = n // n_packs if pack_num < n % n_packs: this_n += 1 if this_n > 0: end = start + this_n yield slice(start, end, None) start = end def tosequence(x): """Cast iterable x to a Sequence, avoiding a copy if possible.""" if isinstance(x, np.ndarray): return np.asarray(x) elif isinstance(x, Sequence): return x else: return list(x) class ConvergenceWarning(Warning): "Custom warning to capture convergence problems"
bsd-3-clause
mne-tools/mne-tools.github.io
0.20/_downloads/76822bb92a8465181ec2a7ee96ca8cf4/plot_decoding_csp_timefreq.py
1
6457
""" ============================================================================ Decoding in time-frequency space data using the Common Spatial Pattern (CSP) ============================================================================ The time-frequency decomposition is estimated by iterating over raw data that has been band-passed at different frequencies. This is used to compute a covariance matrix over each epoch or a rolling time-window and extract the CSP filtered signals. A linear discriminant classifier is then applied to these signals. """ # Authors: Laura Gwilliams <[email protected]> # Jean-Remi King <[email protected]> # Alex Barachant <[email protected]> # Alexandre Gramfort <[email protected]> # # License: BSD (3-clause) import numpy as np import matplotlib.pyplot as plt from mne import Epochs, create_info, events_from_annotations from mne.io import concatenate_raws, read_raw_edf from mne.datasets import eegbci from mne.decoding import CSP from mne.time_frequency import AverageTFR from sklearn.discriminant_analysis import LinearDiscriminantAnalysis from sklearn.model_selection import StratifiedKFold, cross_val_score from sklearn.pipeline import make_pipeline from sklearn.preprocessing import LabelEncoder ############################################################################### # Set parameters and read data event_id = dict(hands=2, feet=3) # motor imagery: hands vs feet subject = 1 runs = [6, 10, 14] raw_fnames = eegbci.load_data(subject, runs) raw = concatenate_raws([read_raw_edf(f, preload=True) for f in raw_fnames]) # Extract information from the raw file sfreq = raw.info['sfreq'] events, _ = events_from_annotations(raw, event_id=dict(T1=2, T2=3)) raw.pick_types(meg=False, eeg=True, stim=False, eog=False, exclude='bads') # Assemble the classifier using scikit-learn pipeline clf = make_pipeline(CSP(n_components=4, reg=None, log=True, norm_trace=False), LinearDiscriminantAnalysis()) n_splits = 5 # how many folds to use for cross-validation cv = StratifiedKFold(n_splits=n_splits, shuffle=True) # Classification & Time-frequency parameters tmin, tmax = -.200, 2.000 n_cycles = 10. # how many complete cycles: used to define window size min_freq = 5. max_freq = 25. n_freqs = 8 # how many frequency bins to use # Assemble list of frequency range tuples freqs = np.linspace(min_freq, max_freq, n_freqs) # assemble frequencies freq_ranges = list(zip(freqs[:-1], freqs[1:])) # make freqs list of tuples # Infer window spacing from the max freq and number of cycles to avoid gaps window_spacing = (n_cycles / np.max(freqs) / 2.) centered_w_times = np.arange(tmin, tmax, window_spacing)[1:] n_windows = len(centered_w_times) # Instantiate label encoder le = LabelEncoder() ############################################################################### # Loop through frequencies, apply classifier and save scores # init scores freq_scores = np.zeros((n_freqs - 1,)) # Loop through each frequency range of interest for freq, (fmin, fmax) in enumerate(freq_ranges): # Infer window size based on the frequency being used w_size = n_cycles / ((fmax + fmin) / 2.) # in seconds # Apply band-pass filter to isolate the specified frequencies raw_filter = raw.copy().filter(fmin, fmax, n_jobs=1, fir_design='firwin', skip_by_annotation='edge') # Extract epochs from filtered data, padded by window size epochs = Epochs(raw_filter, events, event_id, tmin - w_size, tmax + w_size, proj=False, baseline=None, preload=True) epochs.drop_bad() y = le.fit_transform(epochs.events[:, 2]) X = epochs.get_data() # Save mean scores over folds for each frequency and time window freq_scores[freq] = np.mean(cross_val_score(estimator=clf, X=X, y=y, scoring='roc_auc', cv=cv, n_jobs=1), axis=0) ############################################################################### # Plot frequency results plt.bar(freqs[:-1], freq_scores, width=np.diff(freqs)[0], align='edge', edgecolor='black') plt.xticks(freqs) plt.ylim([0, 1]) plt.axhline(len(epochs['feet']) / len(epochs), color='k', linestyle='--', label='chance level') plt.legend() plt.xlabel('Frequency (Hz)') plt.ylabel('Decoding Scores') plt.title('Frequency Decoding Scores') ############################################################################### # Loop through frequencies and time, apply classifier and save scores # init scores tf_scores = np.zeros((n_freqs - 1, n_windows)) # Loop through each frequency range of interest for freq, (fmin, fmax) in enumerate(freq_ranges): # Infer window size based on the frequency being used w_size = n_cycles / ((fmax + fmin) / 2.) # in seconds # Apply band-pass filter to isolate the specified frequencies raw_filter = raw.copy().filter(fmin, fmax, n_jobs=1, fir_design='firwin', skip_by_annotation='edge') # Extract epochs from filtered data, padded by window size epochs = Epochs(raw_filter, events, event_id, tmin - w_size, tmax + w_size, proj=False, baseline=None, preload=True) epochs.drop_bad() y = le.fit_transform(epochs.events[:, 2]) # Roll covariance, csp and lda over time for t, w_time in enumerate(centered_w_times): # Center the min and max of the window w_tmin = w_time - w_size / 2. w_tmax = w_time + w_size / 2. # Crop data into time-window of interest X = epochs.copy().crop(w_tmin, w_tmax).get_data() # Save mean scores over folds for each frequency and time window tf_scores[freq, t] = np.mean(cross_val_score(estimator=clf, X=X, y=y, scoring='roc_auc', cv=cv, n_jobs=1), axis=0) ############################################################################### # Plot time-frequency results # Set up time frequency object av_tfr = AverageTFR(create_info(['freq'], sfreq), tf_scores[np.newaxis, :], centered_w_times, freqs[1:], 1) chance = np.mean(y) # set chance level to white in the plot av_tfr.plot([0], vmin=chance, title="Time-Frequency Decoding Scores", cmap=plt.cm.Reds)
bsd-3-clause
bijanfallah/OI_CCLM
src/RMSE_MAPS_INGO.py
1
2007
# Program to show the maps of RMSE averaged over time import matplotlib.pyplot as plt from sklearn.metrics import mean_squared_error import os from netCDF4 import Dataset as NetCDFFile import numpy as np from CCLM_OUTS import Plot_CCLM # option == 1 -> shift 4 with default cclm domain and nboundlines = 3 # option == 2 -> shift 4 with smaller cclm domain and nboundlines = 3 # option == 3 -> shift 4 with smaller cclm domain and nboundlines = 6 # option == 4 -> shift 4 with corrected smaller cclm domain and nboundlines = 3 # option == 5 -> shift 4 with corrected smaller cclm domain and nboundlines = 4 # option == 6 -> shift 4 with corrected smaller cclm domain and nboundlines = 6 # option == 7 -> shift 4 with corrected smaller cclm domain and nboundlines = 9 # option == 8 -> shift 4 with corrected bigger cclm domain and nboundlines = 3 from CCLM_OUTS import Plot_CCLM #def f(x): # if x==-9999: # return float('NaN') # else: # return x def read_data_from_mistral(dir='/work/bb1029/b324045/work1/work/member/post/',name='member_T_2M_ts_seasmean.nc',var='T_2M'): # type: (object, object, object) -> object #a function to read the data from mistral work """ :rtype: object """ #CMD = 'scp $mistral:' + dir + name + ' ./' CMD = 'wget users.met.fu-berlin.de/~BijanFallah/' + dir + name os.system(CMD) nc = NetCDFFile(name) # for name2, variable in nc.variables.items(): # for attrname in variable.ncattrs(): # print(name2, variable, '-----------------',attrname) # #print("{} -- {}".format(attrname, getattr(variable, attrname))) os.remove(name) lats = nc.variables['lat'][:] lons = nc.variables['lon'][:] t = nc.variables[var][:].squeeze() rlats = nc.variables['rlat'][:] # extract/copy the data rlons = nc.variables['rlon'][:] #f2 = np.vectorize(f) #t= f2(t) #t=t.data t=t.squeeze() #print() nc.close() return(t, lats, lons, rlats, rlons)
mit
lancezlin/ml_template_py
lib/python2.7/site-packages/sklearn/metrics/tests/test_score_objects.py
15
17443
import pickle import tempfile import shutil import os import numbers import numpy as np from sklearn.utils.testing import assert_almost_equal from sklearn.utils.testing import assert_array_equal from sklearn.utils.testing import assert_raises from sklearn.utils.testing import assert_raises_regexp from sklearn.utils.testing import assert_true from sklearn.utils.testing import ignore_warnings from sklearn.utils.testing import assert_not_equal from sklearn.utils.testing import assert_warns_message from sklearn.base import BaseEstimator from sklearn.metrics import (f1_score, r2_score, roc_auc_score, fbeta_score, log_loss, precision_score, recall_score) from sklearn.metrics.cluster import adjusted_rand_score from sklearn.metrics.scorer import (check_scoring, _PredictScorer, _passthrough_scorer) from sklearn.metrics import make_scorer, get_scorer, SCORERS from sklearn.svm import LinearSVC from sklearn.pipeline import make_pipeline from sklearn.cluster import KMeans from sklearn.dummy import DummyRegressor from sklearn.linear_model import Ridge, LogisticRegression from sklearn.tree import DecisionTreeClassifier, DecisionTreeRegressor from sklearn.datasets import make_blobs from sklearn.datasets import make_classification from sklearn.datasets import make_multilabel_classification from sklearn.datasets import load_diabetes from sklearn.model_selection import train_test_split, cross_val_score from sklearn.model_selection import GridSearchCV from sklearn.multiclass import OneVsRestClassifier from sklearn.externals import joblib REGRESSION_SCORERS = ['r2', 'neg_mean_absolute_error', 'neg_mean_squared_error', 'neg_median_absolute_error', 'mean_absolute_error', 'mean_squared_error', 'median_absolute_error'] CLF_SCORERS = ['accuracy', 'f1', 'f1_weighted', 'f1_macro', 'f1_micro', 'roc_auc', 'average_precision', 'precision', 'precision_weighted', 'precision_macro', 'precision_micro', 'recall', 'recall_weighted', 'recall_macro', 'recall_micro', 'neg_log_loss', 'log_loss', 'adjusted_rand_score' # not really, but works ] MULTILABEL_ONLY_SCORERS = ['precision_samples', 'recall_samples', 'f1_samples'] def _make_estimators(X_train, y_train, y_ml_train): # Make estimators that make sense to test various scoring methods sensible_regr = DummyRegressor(strategy='median') sensible_regr.fit(X_train, y_train) sensible_clf = DecisionTreeClassifier(random_state=0) sensible_clf.fit(X_train, y_train) sensible_ml_clf = DecisionTreeClassifier(random_state=0) sensible_ml_clf.fit(X_train, y_ml_train) return dict( [(name, sensible_regr) for name in REGRESSION_SCORERS] + [(name, sensible_clf) for name in CLF_SCORERS] + [(name, sensible_ml_clf) for name in MULTILABEL_ONLY_SCORERS] ) X_mm, y_mm, y_ml_mm = None, None, None ESTIMATORS = None TEMP_FOLDER = None def setup_module(): # Create some memory mapped data global X_mm, y_mm, y_ml_mm, TEMP_FOLDER, ESTIMATORS TEMP_FOLDER = tempfile.mkdtemp(prefix='sklearn_test_score_objects_') X, y = make_classification(n_samples=30, n_features=5, random_state=0) _, y_ml = make_multilabel_classification(n_samples=X.shape[0], random_state=0) filename = os.path.join(TEMP_FOLDER, 'test_data.pkl') joblib.dump((X, y, y_ml), filename) X_mm, y_mm, y_ml_mm = joblib.load(filename, mmap_mode='r') ESTIMATORS = _make_estimators(X_mm, y_mm, y_ml_mm) def teardown_module(): global X_mm, y_mm, y_ml_mm, TEMP_FOLDER, ESTIMATORS # GC closes the mmap file descriptors X_mm, y_mm, y_ml_mm, ESTIMATORS = None, None, None, None shutil.rmtree(TEMP_FOLDER) class EstimatorWithoutFit(object): """Dummy estimator to test check_scoring""" pass class EstimatorWithFit(BaseEstimator): """Dummy estimator to test check_scoring""" def fit(self, X, y): return self class EstimatorWithFitAndScore(object): """Dummy estimator to test check_scoring""" def fit(self, X, y): return self def score(self, X, y): return 1.0 class EstimatorWithFitAndPredict(object): """Dummy estimator to test check_scoring""" def fit(self, X, y): self.y = y return self def predict(self, X): return self.y class DummyScorer(object): """Dummy scorer that always returns 1.""" def __call__(self, est, X, y): return 1 def test_all_scorers_repr(): # Test that all scorers have a working repr for name, scorer in SCORERS.items(): repr(scorer) def test_check_scoring(): # Test all branches of check_scoring estimator = EstimatorWithoutFit() pattern = (r"estimator should be an estimator implementing 'fit' method," r" .* was passed") assert_raises_regexp(TypeError, pattern, check_scoring, estimator) estimator = EstimatorWithFitAndScore() estimator.fit([[1]], [1]) scorer = check_scoring(estimator) assert_true(scorer is _passthrough_scorer) assert_almost_equal(scorer(estimator, [[1]], [1]), 1.0) estimator = EstimatorWithFitAndPredict() estimator.fit([[1]], [1]) pattern = (r"If no scoring is specified, the estimator passed should have" r" a 'score' method\. The estimator .* does not\.") assert_raises_regexp(TypeError, pattern, check_scoring, estimator) scorer = check_scoring(estimator, "accuracy") assert_almost_equal(scorer(estimator, [[1]], [1]), 1.0) estimator = EstimatorWithFit() scorer = check_scoring(estimator, "accuracy") assert_true(isinstance(scorer, _PredictScorer)) estimator = EstimatorWithFit() scorer = check_scoring(estimator, allow_none=True) assert_true(scorer is None) def test_check_scoring_gridsearchcv(): # test that check_scoring works on GridSearchCV and pipeline. # slightly redundant non-regression test. grid = GridSearchCV(LinearSVC(), param_grid={'C': [.1, 1]}) scorer = check_scoring(grid, "f1") assert_true(isinstance(scorer, _PredictScorer)) pipe = make_pipeline(LinearSVC()) scorer = check_scoring(pipe, "f1") assert_true(isinstance(scorer, _PredictScorer)) # check that cross_val_score definitely calls the scorer # and doesn't make any assumptions about the estimator apart from having a # fit. scores = cross_val_score(EstimatorWithFit(), [[1], [2], [3]], [1, 0, 1], scoring=DummyScorer()) assert_array_equal(scores, 1) def test_make_scorer(): # Sanity check on the make_scorer factory function. f = lambda *args: 0 assert_raises(ValueError, make_scorer, f, needs_threshold=True, needs_proba=True) def test_classification_scores(): # Test classification scorers. X, y = make_blobs(random_state=0, centers=2) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) clf = LinearSVC(random_state=0) clf.fit(X_train, y_train) for prefix, metric in [('f1', f1_score), ('precision', precision_score), ('recall', recall_score)]: score1 = get_scorer('%s_weighted' % prefix)(clf, X_test, y_test) score2 = metric(y_test, clf.predict(X_test), pos_label=None, average='weighted') assert_almost_equal(score1, score2) score1 = get_scorer('%s_macro' % prefix)(clf, X_test, y_test) score2 = metric(y_test, clf.predict(X_test), pos_label=None, average='macro') assert_almost_equal(score1, score2) score1 = get_scorer('%s_micro' % prefix)(clf, X_test, y_test) score2 = metric(y_test, clf.predict(X_test), pos_label=None, average='micro') assert_almost_equal(score1, score2) score1 = get_scorer('%s' % prefix)(clf, X_test, y_test) score2 = metric(y_test, clf.predict(X_test), pos_label=1) assert_almost_equal(score1, score2) # test fbeta score that takes an argument scorer = make_scorer(fbeta_score, beta=2) score1 = scorer(clf, X_test, y_test) score2 = fbeta_score(y_test, clf.predict(X_test), beta=2) assert_almost_equal(score1, score2) # test that custom scorer can be pickled unpickled_scorer = pickle.loads(pickle.dumps(scorer)) score3 = unpickled_scorer(clf, X_test, y_test) assert_almost_equal(score1, score3) # smoke test the repr: repr(fbeta_score) def test_regression_scorers(): # Test regression scorers. diabetes = load_diabetes() X, y = diabetes.data, diabetes.target X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) clf = Ridge() clf.fit(X_train, y_train) score1 = get_scorer('r2')(clf, X_test, y_test) score2 = r2_score(y_test, clf.predict(X_test)) assert_almost_equal(score1, score2) def test_thresholded_scorers(): # Test scorers that take thresholds. X, y = make_blobs(random_state=0, centers=2) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) clf = LogisticRegression(random_state=0) clf.fit(X_train, y_train) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, clf.decision_function(X_test)) score3 = roc_auc_score(y_test, clf.predict_proba(X_test)[:, 1]) assert_almost_equal(score1, score2) assert_almost_equal(score1, score3) logscore = get_scorer('neg_log_loss')(clf, X_test, y_test) logloss = log_loss(y_test, clf.predict_proba(X_test)) assert_almost_equal(-logscore, logloss) # same for an estimator without decision_function clf = DecisionTreeClassifier() clf.fit(X_train, y_train) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, clf.predict_proba(X_test)[:, 1]) assert_almost_equal(score1, score2) # test with a regressor (no decision_function) reg = DecisionTreeRegressor() reg.fit(X_train, y_train) score1 = get_scorer('roc_auc')(reg, X_test, y_test) score2 = roc_auc_score(y_test, reg.predict(X_test)) assert_almost_equal(score1, score2) # Test that an exception is raised on more than two classes X, y = make_blobs(random_state=0, centers=3) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) clf.fit(X_train, y_train) assert_raises(ValueError, get_scorer('roc_auc'), clf, X_test, y_test) def test_thresholded_scorers_multilabel_indicator_data(): # Test that the scorer work with multilabel-indicator format # for multilabel and multi-output multi-class classifier X, y = make_multilabel_classification(allow_unlabeled=False, random_state=0) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) # Multi-output multi-class predict_proba clf = DecisionTreeClassifier() clf.fit(X_train, y_train) y_proba = clf.predict_proba(X_test) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, np.vstack(p[:, -1] for p in y_proba).T) assert_almost_equal(score1, score2) # Multi-output multi-class decision_function # TODO Is there any yet? clf = DecisionTreeClassifier() clf.fit(X_train, y_train) clf._predict_proba = clf.predict_proba clf.predict_proba = None clf.decision_function = lambda X: [p[:, 1] for p in clf._predict_proba(X)] y_proba = clf.decision_function(X_test) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, np.vstack(p for p in y_proba).T) assert_almost_equal(score1, score2) # Multilabel predict_proba clf = OneVsRestClassifier(DecisionTreeClassifier()) clf.fit(X_train, y_train) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, clf.predict_proba(X_test)) assert_almost_equal(score1, score2) # Multilabel decision function clf = OneVsRestClassifier(LinearSVC(random_state=0)) clf.fit(X_train, y_train) score1 = get_scorer('roc_auc')(clf, X_test, y_test) score2 = roc_auc_score(y_test, clf.decision_function(X_test)) assert_almost_equal(score1, score2) def test_unsupervised_scorers(): # Test clustering scorers against gold standard labeling. # We don't have any real unsupervised Scorers yet. X, y = make_blobs(random_state=0, centers=2) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) km = KMeans(n_clusters=3) km.fit(X_train) score1 = get_scorer('adjusted_rand_score')(km, X_test, y_test) score2 = adjusted_rand_score(y_test, km.predict(X_test)) assert_almost_equal(score1, score2) @ignore_warnings def test_raises_on_score_list(): # Test that when a list of scores is returned, we raise proper errors. X, y = make_blobs(random_state=0) f1_scorer_no_average = make_scorer(f1_score, average=None) clf = DecisionTreeClassifier() assert_raises(ValueError, cross_val_score, clf, X, y, scoring=f1_scorer_no_average) grid_search = GridSearchCV(clf, scoring=f1_scorer_no_average, param_grid={'max_depth': [1, 2]}) assert_raises(ValueError, grid_search.fit, X, y) @ignore_warnings def test_scorer_sample_weight(): # Test that scorers support sample_weight or raise sensible errors # Unlike the metrics invariance test, in the scorer case it's harder # to ensure that, on the classifier output, weighted and unweighted # scores really should be unequal. X, y = make_classification(random_state=0) _, y_ml = make_multilabel_classification(n_samples=X.shape[0], random_state=0) split = train_test_split(X, y, y_ml, random_state=0) X_train, X_test, y_train, y_test, y_ml_train, y_ml_test = split sample_weight = np.ones_like(y_test) sample_weight[:10] = 0 # get sensible estimators for each metric estimator = _make_estimators(X_train, y_train, y_ml_train) for name, scorer in SCORERS.items(): if name in MULTILABEL_ONLY_SCORERS: target = y_ml_test else: target = y_test try: weighted = scorer(estimator[name], X_test, target, sample_weight=sample_weight) ignored = scorer(estimator[name], X_test[10:], target[10:]) unweighted = scorer(estimator[name], X_test, target) assert_not_equal(weighted, unweighted, msg="scorer {0} behaves identically when " "called with sample weights: {1} vs " "{2}".format(name, weighted, unweighted)) assert_almost_equal(weighted, ignored, err_msg="scorer {0} behaves differently when " "ignoring samples and setting sample_weight to" " 0: {1} vs {2}".format(name, weighted, ignored)) except TypeError as e: assert_true("sample_weight" in str(e), "scorer {0} raises unhelpful exception when called " "with sample weights: {1}".format(name, str(e))) @ignore_warnings # UndefinedMetricWarning for P / R scores def check_scorer_memmap(scorer_name): scorer, estimator = SCORERS[scorer_name], ESTIMATORS[scorer_name] if scorer_name in MULTILABEL_ONLY_SCORERS: score = scorer(estimator, X_mm, y_ml_mm) else: score = scorer(estimator, X_mm, y_mm) assert isinstance(score, numbers.Number), scorer_name def test_scorer_memmap_input(): # Non-regression test for #6147: some score functions would # return singleton memmap when computed on memmap data instead of scalar # float values. for name in SCORERS.keys(): yield check_scorer_memmap, name def test_deprecated_names(): X, y = make_blobs(random_state=0, centers=2) X_train, X_test, y_train, y_test = train_test_split(X, y, random_state=0) clf = LogisticRegression(random_state=0) clf.fit(X_train, y_train) for name in ('mean_absolute_error', 'mean_squared_error', 'median_absolute_error', 'log_loss'): warning_msg = "Scoring method %s was renamed to" % name for scorer in (get_scorer(name), SCORERS[name]): assert_warns_message(DeprecationWarning, warning_msg, scorer, clf, X, y) assert_warns_message(DeprecationWarning, warning_msg, cross_val_score, clf, X, y, scoring=name) def test_scoring_is_not_metric(): assert_raises_regexp(ValueError, 'make_scorer', check_scoring, LogisticRegression(), f1_score) assert_raises_regexp(ValueError, 'make_scorer', check_scoring, LogisticRegression(), roc_auc_score) assert_raises_regexp(ValueError, 'make_scorer', check_scoring, Ridge(), r2_score) assert_raises_regexp(ValueError, 'make_scorer', check_scoring, KMeans(), adjusted_rand_score)
mit
ChanChiChoi/scikit-learn
examples/model_selection/plot_roc.py
146
3697
""" ======================================= Receiver Operating Characteristic (ROC) ======================================= Example of Receiver Operating Characteristic (ROC) metric to evaluate classifier output quality. ROC curves typically feature true positive rate on the Y axis, and false positive rate on the X axis. This means that the top left corner of the plot is the "ideal" point - a false positive rate of zero, and a true positive rate of one. This is not very realistic, but it does mean that a larger area under the curve (AUC) is usually better. The "steepness" of ROC curves is also important, since it is ideal to maximize the true positive rate while minimizing the false positive rate. ROC curves are typically used in binary classification to study the output of a classifier. In order to extend ROC curve and ROC area to multi-class or multi-label classification, it is necessary to binarize the output. One ROC curve can be drawn per label, but one can also draw a ROC curve by considering each element of the label indicator matrix as a binary prediction (micro-averaging). .. note:: See also :func:`sklearn.metrics.roc_auc_score`, :ref:`example_model_selection_plot_roc_crossval.py`. """ print(__doc__) import numpy as np import matplotlib.pyplot as plt from sklearn import svm, datasets from sklearn.metrics import roc_curve, auc from sklearn.cross_validation import train_test_split from sklearn.preprocessing import label_binarize from sklearn.multiclass import OneVsRestClassifier # Import some data to play with iris = datasets.load_iris() X = iris.data y = iris.target # Binarize the output y = label_binarize(y, classes=[0, 1, 2]) n_classes = y.shape[1] # Add noisy features to make the problem harder random_state = np.random.RandomState(0) n_samples, n_features = X.shape X = np.c_[X, random_state.randn(n_samples, 200 * n_features)] # shuffle and split training and test sets X_train, X_test, y_train, y_test = train_test_split(X, y, test_size=.5, random_state=0) # Learn to predict each class against the other classifier = OneVsRestClassifier(svm.SVC(kernel='linear', probability=True, random_state=random_state)) y_score = classifier.fit(X_train, y_train).decision_function(X_test) # Compute ROC curve and ROC area for each class fpr = dict() tpr = dict() roc_auc = dict() for i in range(n_classes): fpr[i], tpr[i], _ = roc_curve(y_test[:, i], y_score[:, i]) roc_auc[i] = auc(fpr[i], tpr[i]) # Compute micro-average ROC curve and ROC area fpr["micro"], tpr["micro"], _ = roc_curve(y_test.ravel(), y_score.ravel()) roc_auc["micro"] = auc(fpr["micro"], tpr["micro"]) # Plot of a ROC curve for a specific class plt.figure() plt.plot(fpr[2], tpr[2], label='ROC curve (area = %0.2f)' % roc_auc[2]) plt.plot([0, 1], [0, 1], 'k--') plt.xlim([0.0, 1.0]) plt.ylim([0.0, 1.05]) plt.xlabel('False Positive Rate') plt.ylabel('True Positive Rate') plt.title('Receiver operating characteristic example') plt.legend(loc="lower right") plt.show() # Plot ROC curve plt.figure() plt.plot(fpr["micro"], tpr["micro"], label='micro-average ROC curve (area = {0:0.2f})' ''.format(roc_auc["micro"])) for i in range(n_classes): plt.plot(fpr[i], tpr[i], label='ROC curve of class {0} (area = {1:0.2f})' ''.format(i, roc_auc[i])) plt.plot([0, 1], [0, 1], 'k--') plt.xlim([0.0, 1.0]) plt.ylim([0.0, 1.05]) plt.xlabel('False Positive Rate') plt.ylabel('True Positive Rate') plt.title('Some extension of Receiver operating characteristic to multi-class') plt.legend(loc="lower right") plt.show()
bsd-3-clause
belltailjp/scikit-learn
sklearn/decomposition/base.py
313
5647
"""Principal Component Analysis Base Classes""" # Author: Alexandre Gramfort <[email protected]> # Olivier Grisel <[email protected]> # Mathieu Blondel <[email protected]> # Denis A. Engemann <[email protected]> # Kyle Kastner <[email protected]> # # License: BSD 3 clause import numpy as np from scipy import linalg from ..base import BaseEstimator, TransformerMixin from ..utils import check_array from ..utils.extmath import fast_dot from ..utils.validation import check_is_fitted from ..externals import six from abc import ABCMeta, abstractmethod class _BasePCA(six.with_metaclass(ABCMeta, BaseEstimator, TransformerMixin)): """Base class for PCA methods. Warning: This class should not be used directly. Use derived classes instead. """ def get_covariance(self): """Compute data covariance with the generative model. ``cov = components_.T * S**2 * components_ + sigma2 * eye(n_features)`` where S**2 contains the explained variances, and sigma2 contains the noise variances. Returns ------- cov : array, shape=(n_features, n_features) Estimated covariance of data. """ components_ = self.components_ exp_var = self.explained_variance_ if self.whiten: components_ = components_ * np.sqrt(exp_var[:, np.newaxis]) exp_var_diff = np.maximum(exp_var - self.noise_variance_, 0.) cov = np.dot(components_.T * exp_var_diff, components_) cov.flat[::len(cov) + 1] += self.noise_variance_ # modify diag inplace return cov def get_precision(self): """Compute data precision matrix with the generative model. Equals the inverse of the covariance but computed with the matrix inversion lemma for efficiency. Returns ------- precision : array, shape=(n_features, n_features) Estimated precision of data. """ n_features = self.components_.shape[1] # handle corner cases first if self.n_components_ == 0: return np.eye(n_features) / self.noise_variance_ if self.n_components_ == n_features: return linalg.inv(self.get_covariance()) # Get precision using matrix inversion lemma components_ = self.components_ exp_var = self.explained_variance_ if self.whiten: components_ = components_ * np.sqrt(exp_var[:, np.newaxis]) exp_var_diff = np.maximum(exp_var - self.noise_variance_, 0.) precision = np.dot(components_, components_.T) / self.noise_variance_ precision.flat[::len(precision) + 1] += 1. / exp_var_diff precision = np.dot(components_.T, np.dot(linalg.inv(precision), components_)) precision /= -(self.noise_variance_ ** 2) precision.flat[::len(precision) + 1] += 1. / self.noise_variance_ return precision @abstractmethod def fit(X, y=None): """Placeholder for fit. Subclasses should implement this method! Fit the model with X. Parameters ---------- X : array-like, shape (n_samples, n_features) Training data, where n_samples is the number of samples and n_features is the number of features. Returns ------- self : object Returns the instance itself. """ def transform(self, X, y=None): """Apply dimensionality reduction to X. X is projected on the first principal components previously extracted from a training set. Parameters ---------- X : array-like, shape (n_samples, n_features) New data, where n_samples is the number of samples and n_features is the number of features. Returns ------- X_new : array-like, shape (n_samples, n_components) Examples -------- >>> import numpy as np >>> from sklearn.decomposition import IncrementalPCA >>> X = np.array([[-1, -1], [-2, -1], [-3, -2], [1, 1], [2, 1], [3, 2]]) >>> ipca = IncrementalPCA(n_components=2, batch_size=3) >>> ipca.fit(X) IncrementalPCA(batch_size=3, copy=True, n_components=2, whiten=False) >>> ipca.transform(X) # doctest: +SKIP """ check_is_fitted(self, ['mean_', 'components_'], all_or_any=all) X = check_array(X) if self.mean_ is not None: X = X - self.mean_ X_transformed = fast_dot(X, self.components_.T) if self.whiten: X_transformed /= np.sqrt(self.explained_variance_) return X_transformed def inverse_transform(self, X, y=None): """Transform data back to its original space. In other words, return an input X_original whose transform would be X. Parameters ---------- X : array-like, shape (n_samples, n_components) New data, where n_samples is the number of samples and n_components is the number of components. Returns ------- X_original array-like, shape (n_samples, n_features) Notes ----- If whitening is enabled, inverse_transform will compute the exact inverse operation, which includes reversing whitening. """ if self.whiten: return fast_dot(X, np.sqrt(self.explained_variance_[:, np.newaxis]) * self.components_) + self.mean_ else: return fast_dot(X, self.components_) + self.mean_
bsd-3-clause
tosolveit/scikit-learn
sklearn/ensemble/tests/test_partial_dependence.py
365
6996
""" Testing for the partial dependence module. """ import numpy as np from numpy.testing import assert_array_equal from sklearn.utils.testing import assert_raises from sklearn.utils.testing import if_matplotlib from sklearn.ensemble.partial_dependence import partial_dependence from sklearn.ensemble.partial_dependence import plot_partial_dependence from sklearn.ensemble import GradientBoostingClassifier from sklearn.ensemble import GradientBoostingRegressor from sklearn import datasets # toy sample X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]] y = [-1, -1, -1, 1, 1, 1] T = [[-1, -1], [2, 2], [3, 2]] true_result = [-1, 1, 1] # also load the boston dataset boston = datasets.load_boston() # also load the iris dataset iris = datasets.load_iris() def test_partial_dependence_classifier(): # Test partial dependence for classifier clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(X, y) pdp, axes = partial_dependence(clf, [0], X=X, grid_resolution=5) # only 4 grid points instead of 5 because only 4 unique X[:,0] vals assert pdp.shape == (1, 4) assert axes[0].shape[0] == 4 # now with our own grid X_ = np.asarray(X) grid = np.unique(X_[:, 0]) pdp_2, axes = partial_dependence(clf, [0], grid=grid) assert axes is None assert_array_equal(pdp, pdp_2) def test_partial_dependence_multiclass(): # Test partial dependence for multi-class classifier clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, iris.target) grid_resolution = 25 n_classes = clf.n_classes_ pdp, axes = partial_dependence( clf, [0], X=iris.data, grid_resolution=grid_resolution) assert pdp.shape == (n_classes, grid_resolution) assert len(axes) == 1 assert axes[0].shape[0] == grid_resolution def test_partial_dependence_regressor(): # Test partial dependence for regressor clf = GradientBoostingRegressor(n_estimators=10, random_state=1) clf.fit(boston.data, boston.target) grid_resolution = 25 pdp, axes = partial_dependence( clf, [0], X=boston.data, grid_resolution=grid_resolution) assert pdp.shape == (1, grid_resolution) assert axes[0].shape[0] == grid_resolution def test_partial_dependecy_input(): # Test input validation of partial dependence. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(X, y) assert_raises(ValueError, partial_dependence, clf, [0], grid=None, X=None) assert_raises(ValueError, partial_dependence, clf, [0], grid=[0, 1], X=X) # first argument must be an instance of BaseGradientBoosting assert_raises(ValueError, partial_dependence, {}, [0], X=X) # Gradient boosting estimator must be fit assert_raises(ValueError, partial_dependence, GradientBoostingClassifier(), [0], X=X) assert_raises(ValueError, partial_dependence, clf, [-1], X=X) assert_raises(ValueError, partial_dependence, clf, [100], X=X) # wrong ndim for grid grid = np.random.rand(10, 2, 1) assert_raises(ValueError, partial_dependence, clf, [0], grid=grid) @if_matplotlib def test_plot_partial_dependence(): # Test partial dependence plot function. clf = GradientBoostingRegressor(n_estimators=10, random_state=1) clf.fit(boston.data, boston.target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, boston.data, [0, 1, (0, 1)], grid_resolution=grid_resolution, feature_names=boston.feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) # check with str features and array feature names fig, axs = plot_partial_dependence(clf, boston.data, ['CRIM', 'ZN', ('CRIM', 'ZN')], grid_resolution=grid_resolution, feature_names=boston.feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) # check with list feature_names feature_names = boston.feature_names.tolist() fig, axs = plot_partial_dependence(clf, boston.data, ['CRIM', 'ZN', ('CRIM', 'ZN')], grid_resolution=grid_resolution, feature_names=feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) @if_matplotlib def test_plot_partial_dependence_input(): # Test partial dependence plot function input checks. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) # not fitted yet assert_raises(ValueError, plot_partial_dependence, clf, X, [0]) clf.fit(X, y) assert_raises(ValueError, plot_partial_dependence, clf, np.array(X)[:, :0], [0]) # first argument must be an instance of BaseGradientBoosting assert_raises(ValueError, plot_partial_dependence, {}, X, [0]) # must be larger than -1 assert_raises(ValueError, plot_partial_dependence, clf, X, [-1]) # too large feature value assert_raises(ValueError, plot_partial_dependence, clf, X, [100]) # str feature but no feature_names assert_raises(ValueError, plot_partial_dependence, clf, X, ['foobar']) # not valid features value assert_raises(ValueError, plot_partial_dependence, clf, X, [{'foo': 'bar'}]) @if_matplotlib def test_plot_partial_dependence_multiclass(): # Test partial dependence plot function on multi-class input. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, iris.target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, iris.data, [0, 1], label=0, grid_resolution=grid_resolution) assert len(axs) == 2 assert all(ax.has_data for ax in axs) # now with symbol labels target = iris.target_names[iris.target] clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, iris.data, [0, 1], label='setosa', grid_resolution=grid_resolution) assert len(axs) == 2 assert all(ax.has_data for ax in axs) # label not in gbrt.classes_ assert_raises(ValueError, plot_partial_dependence, clf, iris.data, [0, 1], label='foobar', grid_resolution=grid_resolution) # label not provided assert_raises(ValueError, plot_partial_dependence, clf, iris.data, [0, 1], grid_resolution=grid_resolution)
bsd-3-clause
jblackburne/scikit-learn
sklearn/neural_network/rbm.py
46
12291
"""Restricted Boltzmann Machine """ # Authors: Yann N. Dauphin <[email protected]> # Vlad Niculae # Gabriel Synnaeve # Lars Buitinck # License: BSD 3 clause import time import numpy as np import scipy.sparse as sp from ..base import BaseEstimator from ..base import TransformerMixin from ..externals.six.moves import xrange from ..utils import check_array from ..utils import check_random_state from ..utils import gen_even_slices from ..utils import issparse from ..utils.extmath import safe_sparse_dot from ..utils.extmath import log_logistic from ..utils.fixes import expit # logistic function from ..utils.validation import check_is_fitted class BernoulliRBM(BaseEstimator, TransformerMixin): """Bernoulli Restricted Boltzmann Machine (RBM). A Restricted Boltzmann Machine with binary visible units and binary hidden units. Parameters are estimated using Stochastic Maximum Likelihood (SML), also known as Persistent Contrastive Divergence (PCD) [2]. The time complexity of this implementation is ``O(d ** 2)`` assuming d ~ n_features ~ n_components. Read more in the :ref:`User Guide <rbm>`. Parameters ---------- n_components : int, optional Number of binary hidden units. learning_rate : float, optional The learning rate for weight updates. It is *highly* recommended to tune this hyper-parameter. Reasonable values are in the 10**[0., -3.] range. batch_size : int, optional Number of examples per minibatch. n_iter : int, optional Number of iterations/sweeps over the training dataset to perform during training. verbose : int, optional The verbosity level. The default, zero, means silent mode. random_state : integer or numpy.RandomState, optional A random number generator instance to define the state of the random permutations generator. If an integer is given, it fixes the seed. Defaults to the global numpy random number generator. Attributes ---------- intercept_hidden_ : array-like, shape (n_components,) Biases of the hidden units. intercept_visible_ : array-like, shape (n_features,) Biases of the visible units. components_ : array-like, shape (n_components, n_features) Weight matrix, where n_features in the number of visible units and n_components is the number of hidden units. Examples -------- >>> import numpy as np >>> from sklearn.neural_network import BernoulliRBM >>> X = np.array([[0, 0, 0], [0, 1, 1], [1, 0, 1], [1, 1, 1]]) >>> model = BernoulliRBM(n_components=2) >>> model.fit(X) BernoulliRBM(batch_size=10, learning_rate=0.1, n_components=2, n_iter=10, random_state=None, verbose=0) References ---------- [1] Hinton, G. E., Osindero, S. and Teh, Y. A fast learning algorithm for deep belief nets. Neural Computation 18, pp 1527-1554. http://www.cs.toronto.edu/~hinton/absps/fastnc.pdf [2] Tieleman, T. Training Restricted Boltzmann Machines using Approximations to the Likelihood Gradient. International Conference on Machine Learning (ICML) 2008 """ def __init__(self, n_components=256, learning_rate=0.1, batch_size=10, n_iter=10, verbose=0, random_state=None): self.n_components = n_components self.learning_rate = learning_rate self.batch_size = batch_size self.n_iter = n_iter self.verbose = verbose self.random_state = random_state def transform(self, X): """Compute the hidden layer activation probabilities, P(h=1|v=X). Parameters ---------- X : {array-like, sparse matrix} shape (n_samples, n_features) The data to be transformed. Returns ------- h : array, shape (n_samples, n_components) Latent representations of the data. """ check_is_fitted(self, "components_") X = check_array(X, accept_sparse='csr', dtype=np.float64) return self._mean_hiddens(X) def _mean_hiddens(self, v): """Computes the probabilities P(h=1|v). Parameters ---------- v : array-like, shape (n_samples, n_features) Values of the visible layer. Returns ------- h : array-like, shape (n_samples, n_components) Corresponding mean field values for the hidden layer. """ p = safe_sparse_dot(v, self.components_.T) p += self.intercept_hidden_ return expit(p, out=p) def _sample_hiddens(self, v, rng): """Sample from the distribution P(h|v). Parameters ---------- v : array-like, shape (n_samples, n_features) Values of the visible layer to sample from. rng : RandomState Random number generator to use. Returns ------- h : array-like, shape (n_samples, n_components) Values of the hidden layer. """ p = self._mean_hiddens(v) return (rng.random_sample(size=p.shape) < p) def _sample_visibles(self, h, rng): """Sample from the distribution P(v|h). Parameters ---------- h : array-like, shape (n_samples, n_components) Values of the hidden layer to sample from. rng : RandomState Random number generator to use. Returns ------- v : array-like, shape (n_samples, n_features) Values of the visible layer. """ p = np.dot(h, self.components_) p += self.intercept_visible_ expit(p, out=p) return (rng.random_sample(size=p.shape) < p) def _free_energy(self, v): """Computes the free energy F(v) = - log sum_h exp(-E(v,h)). Parameters ---------- v : array-like, shape (n_samples, n_features) Values of the visible layer. Returns ------- free_energy : array-like, shape (n_samples,) The value of the free energy. """ return (- safe_sparse_dot(v, self.intercept_visible_) - np.logaddexp(0, safe_sparse_dot(v, self.components_.T) + self.intercept_hidden_).sum(axis=1)) def gibbs(self, v): """Perform one Gibbs sampling step. Parameters ---------- v : array-like, shape (n_samples, n_features) Values of the visible layer to start from. Returns ------- v_new : array-like, shape (n_samples, n_features) Values of the visible layer after one Gibbs step. """ check_is_fitted(self, "components_") if not hasattr(self, "random_state_"): self.random_state_ = check_random_state(self.random_state) h_ = self._sample_hiddens(v, self.random_state_) v_ = self._sample_visibles(h_, self.random_state_) return v_ def partial_fit(self, X, y=None): """Fit the model to the data X which should contain a partial segment of the data. Parameters ---------- X : array-like, shape (n_samples, n_features) Training data. Returns ------- self : BernoulliRBM The fitted model. """ X = check_array(X, accept_sparse='csr', dtype=np.float64) if not hasattr(self, 'random_state_'): self.random_state_ = check_random_state(self.random_state) if not hasattr(self, 'components_'): self.components_ = np.asarray( self.random_state_.normal( 0, 0.01, (self.n_components, X.shape[1]) ), order='F') if not hasattr(self, 'intercept_hidden_'): self.intercept_hidden_ = np.zeros(self.n_components, ) if not hasattr(self, 'intercept_visible_'): self.intercept_visible_ = np.zeros(X.shape[1], ) if not hasattr(self, 'h_samples_'): self.h_samples_ = np.zeros((self.batch_size, self.n_components)) self._fit(X, self.random_state_) def _fit(self, v_pos, rng): """Inner fit for one mini-batch. Adjust the parameters to maximize the likelihood of v using Stochastic Maximum Likelihood (SML). Parameters ---------- v_pos : array-like, shape (n_samples, n_features) The data to use for training. rng : RandomState Random number generator to use for sampling. """ h_pos = self._mean_hiddens(v_pos) v_neg = self._sample_visibles(self.h_samples_, rng) h_neg = self._mean_hiddens(v_neg) lr = float(self.learning_rate) / v_pos.shape[0] update = safe_sparse_dot(v_pos.T, h_pos, dense_output=True).T update -= np.dot(h_neg.T, v_neg) self.components_ += lr * update self.intercept_hidden_ += lr * (h_pos.sum(axis=0) - h_neg.sum(axis=0)) self.intercept_visible_ += lr * (np.asarray( v_pos.sum(axis=0)).squeeze() - v_neg.sum(axis=0)) h_neg[rng.uniform(size=h_neg.shape) < h_neg] = 1.0 # sample binomial self.h_samples_ = np.floor(h_neg, h_neg) def score_samples(self, X): """Compute the pseudo-likelihood of X. Parameters ---------- X : {array-like, sparse matrix} shape (n_samples, n_features) Values of the visible layer. Must be all-boolean (not checked). Returns ------- pseudo_likelihood : array-like, shape (n_samples,) Value of the pseudo-likelihood (proxy for likelihood). Notes ----- This method is not deterministic: it computes a quantity called the free energy on X, then on a randomly corrupted version of X, and returns the log of the logistic function of the difference. """ check_is_fitted(self, "components_") v = check_array(X, accept_sparse='csr') rng = check_random_state(self.random_state) # Randomly corrupt one feature in each sample in v. ind = (np.arange(v.shape[0]), rng.randint(0, v.shape[1], v.shape[0])) if issparse(v): data = -2 * v[ind] + 1 v_ = v + sp.csr_matrix((data.A.ravel(), ind), shape=v.shape) else: v_ = v.copy() v_[ind] = 1 - v_[ind] fe = self._free_energy(v) fe_ = self._free_energy(v_) return v.shape[1] * log_logistic(fe_ - fe) def fit(self, X, y=None): """Fit the model to the data X. Parameters ---------- X : {array-like, sparse matrix} shape (n_samples, n_features) Training data. Returns ------- self : BernoulliRBM The fitted model. """ X = check_array(X, accept_sparse='csr', dtype=np.float64) n_samples = X.shape[0] rng = check_random_state(self.random_state) self.components_ = np.asarray( rng.normal(0, 0.01, (self.n_components, X.shape[1])), order='F') self.intercept_hidden_ = np.zeros(self.n_components, ) self.intercept_visible_ = np.zeros(X.shape[1], ) self.h_samples_ = np.zeros((self.batch_size, self.n_components)) n_batches = int(np.ceil(float(n_samples) / self.batch_size)) batch_slices = list(gen_even_slices(n_batches * self.batch_size, n_batches, n_samples)) verbose = self.verbose begin = time.time() for iteration in xrange(1, self.n_iter + 1): for batch_slice in batch_slices: self._fit(X[batch_slice], rng) if verbose: end = time.time() print("[%s] Iteration %d, pseudo-likelihood = %.2f," " time = %.2fs" % (type(self).__name__, iteration, self.score_samples(X).mean(), end - begin)) begin = end return self
bsd-3-clause
jorik041/scikit-learn
sklearn/linear_model/randomized_l1.py
95
23365
""" 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, check_X_y, check_array, safe_mask, ConvergenceWarning) from ..utils.validation import check_is_fitted 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, sparse matrix 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_X_y(X, y, ['csr', 'csc', 'coo'], y_numeric=True) 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.""" check_is_fitted(self, 'scores_') 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() X = check_array(X) if len(mask) != X.shape[1]: raise ValueError("X has a different shape than during fitting.") return check_array(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. Read more in the :ref:`User Guide <randomized_l1>`. 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. Read more in the :ref:`User Guide <randomized_l1>`. 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 Read more in the :ref:`User Guide <randomized_l1>`. 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
bsd-3-clause
jingxiang-li/kaggle-yelp
model/level3_model_rf.py
1
5669
from __future__ import division from __future__ import absolute_import from __future__ import print_function from __future__ import unicode_literals import numpy as np from sklearn.ensemble import RandomForestClassifier from sklearn.calibration import CalibratedClassifierCV from sklearn.metrics import f1_score import argparse from os import path import os from hyperopt import fmin, tpe, hp, STATUS_OK, Trials from utils import * import pickle np.random.seed(54568464) def parse_args(): parser = argparse.ArgumentParser() parser.add_argument('--yix', type=int, default=0) return parser.parse_args() # functions for hyperparameters optimization class Score: def __init__(self, X, y): self.y = y self.X = X def get_score(self, params): params['n_estimators'] = int(params['n_estimators']) params['max_depth'] = int(params['max_depth']) params['min_samples_split'] = int(params['min_samples_split']) params['min_samples_leaf'] = int(params['min_samples_leaf']) params['n_estimators'] = int(params['n_estimators']) print('Training with params:') print(params) # cross validation here scores = [] for train_ix, test_ix in makeKFold(5, self.y, 1): X_train, y_train = self.X[train_ix, :], self.y[train_ix] X_test, y_test = self.X[test_ix, :], self.y[test_ix] weight = y_train.shape[0] / (2 * np.bincount(y_train)) sample_weight = np.array([weight[i] for i in y_train]) clf = RandomForestClassifier(**params) cclf = CalibratedClassifierCV(base_estimator=clf, method='isotonic', cv=makeKFold(3, y_train, 1)) cclf.fit(X_train, y_train, sample_weight) pred = cclf.predict(X_test) scores.append(f1_score(y_true=y_test, y_pred=pred)) print(scores) score = np.mean(scores) print(score) return {'loss': -score, 'status': STATUS_OK} def optimize(trials, X, y, max_evals): space = { 'n_estimators': hp.quniform('n_estimators', 100, 500, 50), 'criterion': hp.choice('criterion', ['gini', 'entropy']), 'max_depth': hp.quniform('max_depth', 1, 7, 1), 'min_samples_split': hp.quniform('min_samples_split', 1, 9, 2), 'min_samples_leaf': hp.quniform('min_samples_leaf', 1, 5, 1), 'bootstrap': True, 'oob_score': True, 'n_jobs': -1 } s = Score(X, y) best = fmin(s.get_score, space, algo=tpe.suggest, trials=trials, max_evals=max_evals ) best['n_estimators'] = int(best['n_estimators']) best['max_depth'] = int(best['max_depth']) best['min_samples_split'] = int(best['min_samples_split']) best['min_samples_leaf'] = int(best['min_samples_leaf']) best['n_estimators'] = int(best['n_estimators']) best['criterion'] = ['gini', 'entropy'][best['criterion']] best['bootstrap'] = True best['oob_score'] = True best['n_jobs'] = -1 del s return best def out_fold_pred(params, X, y): # cross validation here preds = np.zeros((y.shape[0])) for train_ix, test_ix in makeKFold(5, y, 1): X_train, y_train = X[train_ix, :], y[train_ix] X_test = X[test_ix, :] weight = y_train.shape[0] / (2 * np.bincount(y_train)) sample_weight = np.array([weight[i] for i in y_train]) clf = RandomForestClassifier(**params) cclf = CalibratedClassifierCV(base_estimator=clf, method='isotonic', cv=makeKFold(3, y_train, 1)) cclf.fit(X_train, y_train, sample_weight) pred = cclf.predict_proba(X_test)[:, 1] preds[test_ix] = pred return preds def get_model(params, X, y): clf = RandomForestClassifier(**params) cclf = CalibratedClassifierCV(base_estimator=clf, method='isotonic', cv=makeKFold(3, y, 1)) weight = y.shape[0] / (2 * np.bincount(y)) sample_weight = np.array([weight[i] for i in y]) cclf.fit(X, y, sample_weight) return cclf args = parse_args() data_dir = '../level3-feature/' + str(args.yix) X_train = np.load(path.join(data_dir, 'X_train.npy')) X_test = np.load(path.join(data_dir, 'X_test.npy')) y_train = np.load(path.join(data_dir, 'y_train.npy')) print(X_train.shape, X_test.shape, y_train.shape) X_train_ext = np.load('../extra_ftrs/' + str(args.yix) + '/X_train_ext.npy') X_test_ext = np.load('../extra_ftrs/' + str(args.yix) + '/X_test_ext.npy') print(X_train_ext.shape, X_test_ext.shape) X_train = np.hstack((X_train, X_train_ext)) X_test = np.hstack((X_test, X_test_ext)) print('Add Extra') print(X_train.shape, X_test.shape, y_train.shape) # Now we have X_train, X_test, y_train trials = Trials() params = optimize(trials, X_train, y_train, 50) out_fold = out_fold_pred(params, X_train, y_train) clf = get_model(params, X_train, y_train) preds = clf.predict_proba(X_test)[:, 1] save_dir = '../level3-model-final/' + str(args.yix) print(save_dir) if not path.exists(save_dir): os.makedirs(save_dir) # save model, parameter, outFold_pred, pred with open(path.join(save_dir, 'model_rf.pkl'), 'wb') as f_model: pickle.dump(clf.calibrated_classifiers_, f_model) with open(path.join(save_dir, 'param_rf.pkl'), 'wb') as f_param: pickle.dump(params, f_param) np.save(path.join(save_dir, 'pred_rf.npy'), preds) np.save(path.join(save_dir, 'outFold_rf.npy'), out_fold)
mit
JeanKossaifi/scikit-learn
sklearn/tree/tests/test_tree.py
48
47506
""" Testing for the tree module (sklearn.tree). """ import pickle from functools import partial from itertools import product import platform import numpy as np from scipy.sparse import csc_matrix from scipy.sparse import csr_matrix from scipy.sparse import coo_matrix from sklearn.random_projection import sparse_random_matrix from sklearn.metrics import accuracy_score from sklearn.metrics import mean_squared_error from sklearn.utils.testing import assert_array_equal from sklearn.utils.testing import assert_array_almost_equal from sklearn.utils.testing import assert_almost_equal from sklearn.utils.testing import assert_equal from sklearn.utils.testing import assert_in from sklearn.utils.testing import assert_raises from sklearn.utils.testing import assert_greater from sklearn.utils.testing import assert_greater_equal from sklearn.utils.testing import assert_less from sklearn.utils.testing import assert_true from sklearn.utils.testing import raises from sklearn.utils.validation import check_random_state from sklearn.utils.validation import NotFittedError from sklearn.utils.testing import ignore_warnings from sklearn.tree import DecisionTreeClassifier from sklearn.tree import DecisionTreeRegressor from sklearn.tree import ExtraTreeClassifier from sklearn.tree import ExtraTreeRegressor from sklearn import tree from sklearn.tree.tree import SPARSE_SPLITTERS from sklearn.tree._tree import TREE_LEAF from sklearn import datasets from sklearn.preprocessing._weights import _balance_weights CLF_CRITERIONS = ("gini", "entropy") REG_CRITERIONS = ("mse", ) CLF_TREES = { "DecisionTreeClassifier": DecisionTreeClassifier, "Presort-DecisionTreeClassifier": partial(DecisionTreeClassifier, splitter="presort-best"), "ExtraTreeClassifier": ExtraTreeClassifier, } REG_TREES = { "DecisionTreeRegressor": DecisionTreeRegressor, "Presort-DecisionTreeRegressor": partial(DecisionTreeRegressor, splitter="presort-best"), "ExtraTreeRegressor": ExtraTreeRegressor, } ALL_TREES = dict() ALL_TREES.update(CLF_TREES) ALL_TREES.update(REG_TREES) SPARSE_TREES = [name for name, Tree in ALL_TREES.items() if Tree().splitter in SPARSE_SPLITTERS] X_small = np.array([ [0, 0, 4, 0, 0, 0, 1, -14, 0, -4, 0, 0, 0, 0, ], [0, 0, 5, 3, 0, -4, 0, 0, 1, -5, 0.2, 0, 4, 1, ], [-1, -1, 0, 0, -4.5, 0, 0, 2.1, 1, 0, 0, -4.5, 0, 1, ], [-1, -1, 0, -1.2, 0, 0, 0, 0, 0, 0, 0.2, 0, 0, 1, ], [-1, -1, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 1, ], [-1, -2, 0, 4, -3, 10, 4, 0, -3.2, 0, 4, 3, -4, 1, ], [2.11, 0, -6, -0.5, 0, 11, 0, 0, -3.2, 6, 0.5, 0, -3, 1, ], [2.11, 0, -6, -0.5, 0, 11, 0, 0, -3.2, 6, 0, 0, -2, 1, ], [2.11, 8, -6, -0.5, 0, 11, 0, 0, -3.2, 6, 0, 0, -2, 1, ], [2.11, 8, -6, -0.5, 0, 11, 0, 0, -3.2, 6, 0.5, 0, -1, 0, ], [2, 8, 5, 1, 0.5, -4, 10, 0, 1, -5, 3, 0, 2, 0, ], [2, 0, 1, 1, 1, -1, 1, 0, 0, -2, 3, 0, 1, 0, ], [2, 0, 1, 2, 3, -1, 10, 2, 0, -1, 1, 2, 2, 0, ], [1, 1, 0, 2, 2, -1, 1, 2, 0, -5, 1, 2, 3, 0, ], [3, 1, 0, 3, 0, -4, 10, 0, 1, -5, 3, 0, 3, 1, ], [2.11, 8, -6, -0.5, 0, 1, 0, 0, -3.2, 6, 0.5, 0, -3, 1, ], [2.11, 8, -6, -0.5, 0, 1, 0, 0, -3.2, 6, 1.5, 1, -1, -1, ], [2.11, 8, -6, -0.5, 0, 10, 0, 0, -3.2, 6, 0.5, 0, -1, -1, ], [2, 0, 5, 1, 0.5, -2, 10, 0, 1, -5, 3, 1, 0, -1, ], [2, 0, 1, 1, 1, -2, 1, 0, 0, -2, 0, 0, 0, 1, ], [2, 1, 1, 1, 2, -1, 10, 2, 0, -1, 0, 2, 1, 1, ], [1, 1, 0, 0, 1, -3, 1, 2, 0, -5, 1, 2, 1, 1, ], [3, 1, 0, 1, 0, -4, 1, 0, 1, -2, 0, 0, 1, 0, ]]) y_small = [1, 1, 0, 0, 0, 0, 1, 1, 1, 1, 1, 1, 0, 0, 0, 1, 0, 0, 1, 0, 0, 0, 0] y_small_reg = [1.0, 2.1, 1.2, 0.05, 10, 2.4, 3.1, 1.01, 0.01, 2.98, 3.1, 1.1, 0.0, 1.2, 2, 11, 0, 0, 4.5, 0.201, 1.06, 0.9, 0] # toy sample X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]] y = [-1, -1, -1, 1, 1, 1] T = [[-1, -1], [2, 2], [3, 2]] true_result = [-1, 1, 1] # also load the iris dataset # and randomly permute it iris = datasets.load_iris() rng = np.random.RandomState(1) perm = rng.permutation(iris.target.size) iris.data = iris.data[perm] iris.target = iris.target[perm] # also load the boston dataset # and randomly permute it boston = datasets.load_boston() perm = rng.permutation(boston.target.size) boston.data = boston.data[perm] boston.target = boston.target[perm] digits = datasets.load_digits() perm = rng.permutation(digits.target.size) digits.data = digits.data[perm] digits.target = digits.target[perm] random_state = check_random_state(0) X_multilabel, y_multilabel = datasets.make_multilabel_classification( random_state=0, n_samples=30, n_features=10) X_sparse_pos = random_state.uniform(size=(20, 5)) X_sparse_pos[X_sparse_pos <= 0.8] = 0. y_random = random_state.randint(0, 4, size=(20, )) X_sparse_mix = sparse_random_matrix(20, 10, density=0.25, random_state=0) DATASETS = { "iris": {"X": iris.data, "y": iris.target}, "boston": {"X": boston.data, "y": boston.target}, "digits": {"X": digits.data, "y": digits.target}, "toy": {"X": X, "y": y}, "clf_small": {"X": X_small, "y": y_small}, "reg_small": {"X": X_small, "y": y_small_reg}, "multilabel": {"X": X_multilabel, "y": y_multilabel}, "sparse-pos": {"X": X_sparse_pos, "y": y_random}, "sparse-neg": {"X": - X_sparse_pos, "y": y_random}, "sparse-mix": {"X": X_sparse_mix, "y": y_random}, "zeros": {"X": np.zeros((20, 3)), "y": y_random} } for name in DATASETS: DATASETS[name]["X_sparse"] = csc_matrix(DATASETS[name]["X"]) def assert_tree_equal(d, s, message): assert_equal(s.node_count, d.node_count, "{0}: inequal number of node ({1} != {2})" "".format(message, s.node_count, d.node_count)) assert_array_equal(d.children_right, s.children_right, message + ": inequal children_right") assert_array_equal(d.children_left, s.children_left, message + ": inequal children_left") external = d.children_right == TREE_LEAF internal = np.logical_not(external) assert_array_equal(d.feature[internal], s.feature[internal], message + ": inequal features") assert_array_equal(d.threshold[internal], s.threshold[internal], message + ": inequal threshold") assert_array_equal(d.n_node_samples.sum(), s.n_node_samples.sum(), message + ": inequal sum(n_node_samples)") assert_array_equal(d.n_node_samples, s.n_node_samples, message + ": inequal n_node_samples") assert_almost_equal(d.impurity, s.impurity, err_msg=message + ": inequal impurity") assert_array_almost_equal(d.value[external], s.value[external], err_msg=message + ": inequal value") def test_classification_toy(): # Check classification on a toy dataset. for name, Tree in CLF_TREES.items(): clf = Tree(random_state=0) clf.fit(X, y) assert_array_equal(clf.predict(T), true_result, "Failed with {0}".format(name)) clf = Tree(max_features=1, random_state=1) clf.fit(X, y) assert_array_equal(clf.predict(T), true_result, "Failed with {0}".format(name)) def test_weighted_classification_toy(): # Check classification on a weighted toy dataset. for name, Tree in CLF_TREES.items(): clf = Tree(random_state=0) clf.fit(X, y, sample_weight=np.ones(len(X))) assert_array_equal(clf.predict(T), true_result, "Failed with {0}".format(name)) clf.fit(X, y, sample_weight=np.ones(len(X)) * 0.5) assert_array_equal(clf.predict(T), true_result, "Failed with {0}".format(name)) def test_regression_toy(): # Check regression on a toy dataset. for name, Tree in REG_TREES.items(): reg = Tree(random_state=1) reg.fit(X, y) assert_almost_equal(reg.predict(T), true_result, err_msg="Failed with {0}".format(name)) clf = Tree(max_features=1, random_state=1) clf.fit(X, y) assert_almost_equal(reg.predict(T), true_result, err_msg="Failed with {0}".format(name)) def test_xor(): # Check on a XOR problem y = np.zeros((10, 10)) y[:5, :5] = 1 y[5:, 5:] = 1 gridx, gridy = np.indices(y.shape) X = np.vstack([gridx.ravel(), gridy.ravel()]).T y = y.ravel() for name, Tree in CLF_TREES.items(): clf = Tree(random_state=0) clf.fit(X, y) assert_equal(clf.score(X, y), 1.0, "Failed with {0}".format(name)) clf = Tree(random_state=0, max_features=1) clf.fit(X, y) assert_equal(clf.score(X, y), 1.0, "Failed with {0}".format(name)) def test_iris(): # Check consistency on dataset iris. for (name, Tree), criterion in product(CLF_TREES.items(), CLF_CRITERIONS): clf = Tree(criterion=criterion, random_state=0) clf.fit(iris.data, iris.target) score = accuracy_score(clf.predict(iris.data), iris.target) assert_greater(score, 0.9, "Failed with {0}, criterion = {1} and score = {2}" "".format(name, criterion, score)) clf = Tree(criterion=criterion, max_features=2, random_state=0) clf.fit(iris.data, iris.target) score = accuracy_score(clf.predict(iris.data), iris.target) assert_greater(score, 0.5, "Failed with {0}, criterion = {1} and score = {2}" "".format(name, criterion, score)) def test_boston(): # Check consistency on dataset boston house prices. for (name, Tree), criterion in product(REG_TREES.items(), REG_CRITERIONS): reg = Tree(criterion=criterion, random_state=0) reg.fit(boston.data, boston.target) score = mean_squared_error(boston.target, reg.predict(boston.data)) assert_less(score, 1, "Failed with {0}, criterion = {1} and score = {2}" "".format(name, criterion, score)) # using fewer features reduces the learning ability of this tree, # but reduces training time. reg = Tree(criterion=criterion, max_features=6, random_state=0) reg.fit(boston.data, boston.target) score = mean_squared_error(boston.target, reg.predict(boston.data)) assert_less(score, 2, "Failed with {0}, criterion = {1} and score = {2}" "".format(name, criterion, score)) def test_probability(): # Predict probabilities using DecisionTreeClassifier. for name, Tree in CLF_TREES.items(): clf = Tree(max_depth=1, max_features=1, random_state=42) clf.fit(iris.data, iris.target) prob_predict = clf.predict_proba(iris.data) assert_array_almost_equal(np.sum(prob_predict, 1), np.ones(iris.data.shape[0]), err_msg="Failed with {0}".format(name)) assert_array_equal(np.argmax(prob_predict, 1), clf.predict(iris.data), err_msg="Failed with {0}".format(name)) assert_almost_equal(clf.predict_proba(iris.data), np.exp(clf.predict_log_proba(iris.data)), 8, err_msg="Failed with {0}".format(name)) def test_arrayrepr(): # Check the array representation. # Check resize X = np.arange(10000)[:, np.newaxis] y = np.arange(10000) for name, Tree in REG_TREES.items(): reg = Tree(max_depth=None, random_state=0) reg.fit(X, y) def test_pure_set(): # Check when y is pure. X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]] y = [1, 1, 1, 1, 1, 1] for name, TreeClassifier in CLF_TREES.items(): clf = TreeClassifier(random_state=0) clf.fit(X, y) assert_array_equal(clf.predict(X), y, err_msg="Failed with {0}".format(name)) for name, TreeRegressor in REG_TREES.items(): reg = TreeRegressor(random_state=0) reg.fit(X, y) assert_almost_equal(clf.predict(X), y, err_msg="Failed with {0}".format(name)) def test_numerical_stability(): # Check numerical stability. X = np.array([ [152.08097839, 140.40744019, 129.75102234, 159.90493774], [142.50700378, 135.81935120, 117.82884979, 162.75781250], [127.28772736, 140.40744019, 129.75102234, 159.90493774], [132.37025452, 143.71923828, 138.35694885, 157.84558105], [103.10237122, 143.71928406, 138.35696411, 157.84559631], [127.71276855, 143.71923828, 138.35694885, 157.84558105], [120.91514587, 140.40744019, 129.75102234, 159.90493774]]) y = np.array( [1., 0.70209277, 0.53896582, 0., 0.90914464, 0.48026916, 0.49622521]) with np.errstate(all="raise"): for name, Tree in REG_TREES.items(): reg = Tree(random_state=0) reg.fit(X, y) reg.fit(X, -y) reg.fit(-X, y) reg.fit(-X, -y) def test_importances(): # Check variable importances. X, y = datasets.make_classification(n_samples=2000, n_features=10, n_informative=3, n_redundant=0, n_repeated=0, shuffle=False, random_state=0) for name, Tree in CLF_TREES.items(): clf = Tree(random_state=0) clf.fit(X, y) importances = clf.feature_importances_ n_important = np.sum(importances > 0.1) assert_equal(importances.shape[0], 10, "Failed with {0}".format(name)) assert_equal(n_important, 3, "Failed with {0}".format(name)) X_new = clf.transform(X, threshold="mean") assert_less(0, X_new.shape[1], "Failed with {0}".format(name)) assert_less(X_new.shape[1], X.shape[1], "Failed with {0}".format(name)) # Check on iris that importances are the same for all builders clf = DecisionTreeClassifier(random_state=0) clf.fit(iris.data, iris.target) clf2 = DecisionTreeClassifier(random_state=0, max_leaf_nodes=len(iris.data)) clf2.fit(iris.data, iris.target) assert_array_equal(clf.feature_importances_, clf2.feature_importances_) @raises(ValueError) def test_importances_raises(): # Check if variable importance before fit raises ValueError. clf = DecisionTreeClassifier() clf.feature_importances_ def test_importances_gini_equal_mse(): # Check that gini is equivalent to mse for binary output variable X, y = datasets.make_classification(n_samples=2000, n_features=10, n_informative=3, n_redundant=0, n_repeated=0, shuffle=False, random_state=0) # The gini index and the mean square error (variance) might differ due # to numerical instability. Since those instabilities mainly occurs at # high tree depth, we restrict this maximal depth. clf = DecisionTreeClassifier(criterion="gini", max_depth=5, random_state=0).fit(X, y) reg = DecisionTreeRegressor(criterion="mse", max_depth=5, random_state=0).fit(X, y) assert_almost_equal(clf.feature_importances_, reg.feature_importances_) assert_array_equal(clf.tree_.feature, reg.tree_.feature) assert_array_equal(clf.tree_.children_left, reg.tree_.children_left) assert_array_equal(clf.tree_.children_right, reg.tree_.children_right) assert_array_equal(clf.tree_.n_node_samples, reg.tree_.n_node_samples) def test_max_features(): # Check max_features. for name, TreeRegressor in REG_TREES.items(): reg = TreeRegressor(max_features="auto") reg.fit(boston.data, boston.target) assert_equal(reg.max_features_, boston.data.shape[1]) for name, TreeClassifier in CLF_TREES.items(): clf = TreeClassifier(max_features="auto") clf.fit(iris.data, iris.target) assert_equal(clf.max_features_, 2) for name, TreeEstimator in ALL_TREES.items(): est = TreeEstimator(max_features="sqrt") est.fit(iris.data, iris.target) assert_equal(est.max_features_, int(np.sqrt(iris.data.shape[1]))) est = TreeEstimator(max_features="log2") est.fit(iris.data, iris.target) assert_equal(est.max_features_, int(np.log2(iris.data.shape[1]))) est = TreeEstimator(max_features=1) est.fit(iris.data, iris.target) assert_equal(est.max_features_, 1) est = TreeEstimator(max_features=3) est.fit(iris.data, iris.target) assert_equal(est.max_features_, 3) est = TreeEstimator(max_features=0.01) est.fit(iris.data, iris.target) assert_equal(est.max_features_, 1) est = TreeEstimator(max_features=0.5) est.fit(iris.data, iris.target) assert_equal(est.max_features_, int(0.5 * iris.data.shape[1])) est = TreeEstimator(max_features=1.0) est.fit(iris.data, iris.target) assert_equal(est.max_features_, iris.data.shape[1]) est = TreeEstimator(max_features=None) est.fit(iris.data, iris.target) assert_equal(est.max_features_, iris.data.shape[1]) # use values of max_features that are invalid est = TreeEstimator(max_features=10) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_features=-1) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_features=0.0) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_features=1.5) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_features="foobar") assert_raises(ValueError, est.fit, X, y) def test_error(): # Test that it gives proper exception on deficient input. for name, TreeEstimator in CLF_TREES.items(): # predict before fit est = TreeEstimator() assert_raises(NotFittedError, est.predict_proba, X) est.fit(X, y) X2 = [[-2, -1, 1]] # wrong feature shape for sample assert_raises(ValueError, est.predict_proba, X2) for name, TreeEstimator in ALL_TREES.items(): # Invalid values for parameters assert_raises(ValueError, TreeEstimator(min_samples_leaf=-1).fit, X, y) assert_raises(ValueError, TreeEstimator(min_weight_fraction_leaf=-1).fit, X, y) assert_raises(ValueError, TreeEstimator(min_weight_fraction_leaf=0.51).fit, X, y) assert_raises(ValueError, TreeEstimator(min_samples_split=-1).fit, X, y) assert_raises(ValueError, TreeEstimator(max_depth=-1).fit, X, y) assert_raises(ValueError, TreeEstimator(max_features=42).fit, X, y) # Wrong dimensions est = TreeEstimator() y2 = y[:-1] assert_raises(ValueError, est.fit, X, y2) # Test with arrays that are non-contiguous. Xf = np.asfortranarray(X) est = TreeEstimator() est.fit(Xf, y) assert_almost_equal(est.predict(T), true_result) # predict before fitting est = TreeEstimator() assert_raises(NotFittedError, est.predict, T) # predict on vector with different dims est.fit(X, y) t = np.asarray(T) assert_raises(ValueError, est.predict, t[:, 1:]) # wrong sample shape Xt = np.array(X).T est = TreeEstimator() est.fit(np.dot(X, Xt), y) assert_raises(ValueError, est.predict, X) assert_raises(ValueError, est.apply, X) clf = TreeEstimator() clf.fit(X, y) assert_raises(ValueError, clf.predict, Xt) assert_raises(ValueError, clf.apply, Xt) # apply before fitting est = TreeEstimator() assert_raises(NotFittedError, est.apply, T) def test_min_samples_leaf(): # Test if leaves contain more than leaf_count training examples X = np.asfortranarray(iris.data.astype(tree._tree.DTYPE)) y = iris.target # test both DepthFirstTreeBuilder and BestFirstTreeBuilder # by setting max_leaf_nodes for max_leaf_nodes in (None, 1000): for name, TreeEstimator in ALL_TREES.items(): est = TreeEstimator(min_samples_leaf=5, max_leaf_nodes=max_leaf_nodes, random_state=0) est.fit(X, y) out = est.tree_.apply(X) node_counts = np.bincount(out) # drop inner nodes leaf_count = node_counts[node_counts != 0] assert_greater(np.min(leaf_count), 4, "Failed with {0}".format(name)) def check_min_weight_fraction_leaf(name, datasets, sparse=False): """Test if leaves contain at least min_weight_fraction_leaf of the training set""" if sparse: X = DATASETS[datasets]["X_sparse"].astype(np.float32) else: X = DATASETS[datasets]["X"].astype(np.float32) y = DATASETS[datasets]["y"] weights = rng.rand(X.shape[0]) total_weight = np.sum(weights) TreeEstimator = ALL_TREES[name] # test both DepthFirstTreeBuilder and BestFirstTreeBuilder # by setting max_leaf_nodes for max_leaf_nodes, frac in product((None, 1000), np.linspace(0, 0.5, 6)): est = TreeEstimator(min_weight_fraction_leaf=frac, max_leaf_nodes=max_leaf_nodes, random_state=0) est.fit(X, y, sample_weight=weights) if sparse: out = est.tree_.apply(X.tocsr()) else: out = est.tree_.apply(X) node_weights = np.bincount(out, weights=weights) # drop inner nodes leaf_weights = node_weights[node_weights != 0] assert_greater_equal( np.min(leaf_weights), total_weight * est.min_weight_fraction_leaf, "Failed with {0} " "min_weight_fraction_leaf={1}".format( name, est.min_weight_fraction_leaf)) def test_min_weight_fraction_leaf(): # Check on dense input for name in ALL_TREES: yield check_min_weight_fraction_leaf, name, "iris" # Check on sparse input for name in SPARSE_TREES: yield check_min_weight_fraction_leaf, name, "multilabel", True def test_pickle(): # Check that tree estimator are pickable for name, TreeClassifier in CLF_TREES.items(): clf = TreeClassifier(random_state=0) clf.fit(iris.data, iris.target) score = clf.score(iris.data, iris.target) serialized_object = pickle.dumps(clf) clf2 = pickle.loads(serialized_object) assert_equal(type(clf2), clf.__class__) score2 = clf2.score(iris.data, iris.target) assert_equal(score, score2, "Failed to generate same score " "after pickling (classification) " "with {0}".format(name)) for name, TreeRegressor in REG_TREES.items(): reg = TreeRegressor(random_state=0) reg.fit(boston.data, boston.target) score = reg.score(boston.data, boston.target) serialized_object = pickle.dumps(reg) reg2 = pickle.loads(serialized_object) assert_equal(type(reg2), reg.__class__) score2 = reg2.score(boston.data, boston.target) assert_equal(score, score2, "Failed to generate same score " "after pickling (regression) " "with {0}".format(name)) def test_multioutput(): # Check estimators on multi-output problems. X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1], [-2, 1], [-1, 1], [-1, 2], [2, -1], [1, -1], [1, -2]] y = [[-1, 0], [-1, 0], [-1, 0], [1, 1], [1, 1], [1, 1], [-1, 2], [-1, 2], [-1, 2], [1, 3], [1, 3], [1, 3]] T = [[-1, -1], [1, 1], [-1, 1], [1, -1]] y_true = [[-1, 0], [1, 1], [-1, 2], [1, 3]] # toy classification problem for name, TreeClassifier in CLF_TREES.items(): clf = TreeClassifier(random_state=0) y_hat = clf.fit(X, y).predict(T) assert_array_equal(y_hat, y_true) assert_equal(y_hat.shape, (4, 2)) proba = clf.predict_proba(T) assert_equal(len(proba), 2) assert_equal(proba[0].shape, (4, 2)) assert_equal(proba[1].shape, (4, 4)) log_proba = clf.predict_log_proba(T) assert_equal(len(log_proba), 2) assert_equal(log_proba[0].shape, (4, 2)) assert_equal(log_proba[1].shape, (4, 4)) # toy regression problem for name, TreeRegressor in REG_TREES.items(): reg = TreeRegressor(random_state=0) y_hat = reg.fit(X, y).predict(T) assert_almost_equal(y_hat, y_true) assert_equal(y_hat.shape, (4, 2)) def test_classes_shape(): # Test that n_classes_ and classes_ have proper shape. for name, TreeClassifier in CLF_TREES.items(): # Classification, single output clf = TreeClassifier(random_state=0) clf.fit(X, y) assert_equal(clf.n_classes_, 2) assert_array_equal(clf.classes_, [-1, 1]) # Classification, multi-output _y = np.vstack((y, np.array(y) * 2)).T clf = TreeClassifier(random_state=0) clf.fit(X, _y) assert_equal(len(clf.n_classes_), 2) assert_equal(len(clf.classes_), 2) assert_array_equal(clf.n_classes_, [2, 2]) assert_array_equal(clf.classes_, [[-1, 1], [-2, 2]]) def test_unbalanced_iris(): # Check class rebalancing. unbalanced_X = iris.data[:125] unbalanced_y = iris.target[:125] sample_weight = _balance_weights(unbalanced_y) for name, TreeClassifier in CLF_TREES.items(): clf = TreeClassifier(random_state=0) clf.fit(unbalanced_X, unbalanced_y, sample_weight=sample_weight) assert_almost_equal(clf.predict(unbalanced_X), unbalanced_y) def test_memory_layout(): # Check that it works no matter the memory layout for (name, TreeEstimator), dtype in product(ALL_TREES.items(), [np.float64, np.float32]): est = TreeEstimator(random_state=0) # Nothing X = np.asarray(iris.data, dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) # C-order X = np.asarray(iris.data, order="C", dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) # F-order X = np.asarray(iris.data, order="F", dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) # Contiguous X = np.ascontiguousarray(iris.data, dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) if est.splitter in SPARSE_SPLITTERS: # csr matrix X = csr_matrix(iris.data, dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) # csc_matrix X = csc_matrix(iris.data, dtype=dtype) y = iris.target assert_array_equal(est.fit(X, y).predict(X), y) # Strided X = np.asarray(iris.data[::3], dtype=dtype) y = iris.target[::3] assert_array_equal(est.fit(X, y).predict(X), y) def test_sample_weight(): # Check sample weighting. # Test that zero-weighted samples are not taken into account X = np.arange(100)[:, np.newaxis] y = np.ones(100) y[:50] = 0.0 sample_weight = np.ones(100) sample_weight[y == 0] = 0.0 clf = DecisionTreeClassifier(random_state=0) clf.fit(X, y, sample_weight=sample_weight) assert_array_equal(clf.predict(X), np.ones(100)) # Test that low weighted samples are not taken into account at low depth X = np.arange(200)[:, np.newaxis] y = np.zeros(200) y[50:100] = 1 y[100:200] = 2 X[100:200, 0] = 200 sample_weight = np.ones(200) sample_weight[y == 2] = .51 # Samples of class '2' are still weightier clf = DecisionTreeClassifier(max_depth=1, random_state=0) clf.fit(X, y, sample_weight=sample_weight) assert_equal(clf.tree_.threshold[0], 149.5) sample_weight[y == 2] = .5 # Samples of class '2' are no longer weightier clf = DecisionTreeClassifier(max_depth=1, random_state=0) clf.fit(X, y, sample_weight=sample_weight) assert_equal(clf.tree_.threshold[0], 49.5) # Threshold should have moved # Test that sample weighting is the same as having duplicates X = iris.data y = iris.target duplicates = rng.randint(0, X.shape[0], 100) clf = DecisionTreeClassifier(random_state=1) clf.fit(X[duplicates], y[duplicates]) sample_weight = np.bincount(duplicates, minlength=X.shape[0]) clf2 = DecisionTreeClassifier(random_state=1) clf2.fit(X, y, sample_weight=sample_weight) internal = clf.tree_.children_left != tree._tree.TREE_LEAF assert_array_almost_equal(clf.tree_.threshold[internal], clf2.tree_.threshold[internal]) def test_sample_weight_invalid(): # Check sample weighting raises errors. X = np.arange(100)[:, np.newaxis] y = np.ones(100) y[:50] = 0.0 clf = DecisionTreeClassifier(random_state=0) sample_weight = np.random.rand(100, 1) assert_raises(ValueError, clf.fit, X, y, sample_weight=sample_weight) sample_weight = np.array(0) assert_raises(ValueError, clf.fit, X, y, sample_weight=sample_weight) sample_weight = np.ones(101) assert_raises(ValueError, clf.fit, X, y, sample_weight=sample_weight) sample_weight = np.ones(99) assert_raises(ValueError, clf.fit, X, y, sample_weight=sample_weight) def check_class_weights(name): """Check class_weights resemble sample_weights behavior.""" TreeClassifier = CLF_TREES[name] # Iris is balanced, so no effect expected for using 'balanced' weights clf1 = TreeClassifier(random_state=0) clf1.fit(iris.data, iris.target) clf2 = TreeClassifier(class_weight='balanced', random_state=0) clf2.fit(iris.data, iris.target) assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_) # Make a multi-output problem with three copies of Iris iris_multi = np.vstack((iris.target, iris.target, iris.target)).T # Create user-defined weights that should balance over the outputs clf3 = TreeClassifier(class_weight=[{0: 2., 1: 2., 2: 1.}, {0: 2., 1: 1., 2: 2.}, {0: 1., 1: 2., 2: 2.}], random_state=0) clf3.fit(iris.data, iris_multi) assert_almost_equal(clf2.feature_importances_, clf3.feature_importances_) # Check against multi-output "auto" which should also have no effect clf4 = TreeClassifier(class_weight='balanced', random_state=0) clf4.fit(iris.data, iris_multi) assert_almost_equal(clf3.feature_importances_, clf4.feature_importances_) # Inflate importance of class 1, check against user-defined weights sample_weight = np.ones(iris.target.shape) sample_weight[iris.target == 1] *= 100 class_weight = {0: 1., 1: 100., 2: 1.} clf1 = TreeClassifier(random_state=0) clf1.fit(iris.data, iris.target, sample_weight) clf2 = TreeClassifier(class_weight=class_weight, random_state=0) clf2.fit(iris.data, iris.target) assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_) # Check that sample_weight and class_weight are multiplicative clf1 = TreeClassifier(random_state=0) clf1.fit(iris.data, iris.target, sample_weight ** 2) clf2 = TreeClassifier(class_weight=class_weight, random_state=0) clf2.fit(iris.data, iris.target, sample_weight) assert_almost_equal(clf1.feature_importances_, clf2.feature_importances_) def test_class_weights(): for name in CLF_TREES: yield check_class_weights, name def check_class_weight_errors(name): # Test if class_weight raises errors and warnings when expected. TreeClassifier = CLF_TREES[name] _y = np.vstack((y, np.array(y) * 2)).T # Invalid preset string clf = TreeClassifier(class_weight='the larch', random_state=0) assert_raises(ValueError, clf.fit, X, y) assert_raises(ValueError, clf.fit, X, _y) # Not a list or preset for multi-output clf = TreeClassifier(class_weight=1, random_state=0) assert_raises(ValueError, clf.fit, X, _y) # Incorrect length list for multi-output clf = TreeClassifier(class_weight=[{-1: 0.5, 1: 1.}], random_state=0) assert_raises(ValueError, clf.fit, X, _y) def test_class_weight_errors(): for name in CLF_TREES: yield check_class_weight_errors, name def test_max_leaf_nodes(): # Test greedy trees with max_depth + 1 leafs. from sklearn.tree._tree import TREE_LEAF X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1) k = 4 for name, TreeEstimator in ALL_TREES.items(): est = TreeEstimator(max_depth=None, max_leaf_nodes=k + 1).fit(X, y) tree = est.tree_ assert_equal((tree.children_left == TREE_LEAF).sum(), k + 1) # max_leaf_nodes in (0, 1) should raise ValueError est = TreeEstimator(max_depth=None, max_leaf_nodes=0) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_depth=None, max_leaf_nodes=1) assert_raises(ValueError, est.fit, X, y) est = TreeEstimator(max_depth=None, max_leaf_nodes=0.1) assert_raises(ValueError, est.fit, X, y) def test_max_leaf_nodes_max_depth(): # Test preceedence of max_leaf_nodes over max_depth. X, y = datasets.make_hastie_10_2(n_samples=100, random_state=1) k = 4 for name, TreeEstimator in ALL_TREES.items(): est = TreeEstimator(max_depth=1, max_leaf_nodes=k).fit(X, y) tree = est.tree_ assert_greater(tree.max_depth, 1) def test_arrays_persist(): # Ensure property arrays' memory stays alive when tree disappears # non-regression for #2726 for attr in ['n_classes', 'value', 'children_left', 'children_right', 'threshold', 'impurity', 'feature', 'n_node_samples']: value = getattr(DecisionTreeClassifier().fit([[0]], [0]).tree_, attr) # if pointing to freed memory, contents may be arbitrary assert_true(-2 <= value.flat[0] < 2, 'Array points to arbitrary memory') def test_only_constant_features(): random_state = check_random_state(0) X = np.zeros((10, 20)) y = random_state.randint(0, 2, (10, )) for name, TreeEstimator in ALL_TREES.items(): est = TreeEstimator(random_state=0) est.fit(X, y) assert_equal(est.tree_.max_depth, 0) def test_with_only_one_non_constant_features(): X = np.hstack([np.array([[1.], [1.], [0.], [0.]]), np.zeros((4, 1000))]) y = np.array([0., 1., 0., 1.0]) for name, TreeEstimator in CLF_TREES.items(): est = TreeEstimator(random_state=0, max_features=1) est.fit(X, y) assert_equal(est.tree_.max_depth, 1) assert_array_equal(est.predict_proba(X), 0.5 * np.ones((4, 2))) for name, TreeEstimator in REG_TREES.items(): est = TreeEstimator(random_state=0, max_features=1) est.fit(X, y) assert_equal(est.tree_.max_depth, 1) assert_array_equal(est.predict(X), 0.5 * np.ones((4, ))) def test_big_input(): # Test if the warning for too large inputs is appropriate. X = np.repeat(10 ** 40., 4).astype(np.float64).reshape(-1, 1) clf = DecisionTreeClassifier() try: clf.fit(X, [0, 1, 0, 1]) except ValueError as e: assert_in("float32", str(e)) def test_realloc(): from sklearn.tree._utils import _realloc_test assert_raises(MemoryError, _realloc_test) def test_huge_allocations(): n_bits = int(platform.architecture()[0].rstrip('bit')) X = np.random.randn(10, 2) y = np.random.randint(0, 2, 10) # Sanity check: we cannot request more memory than the size of the address # space. Currently raises OverflowError. huge = 2 ** (n_bits + 1) clf = DecisionTreeClassifier(splitter='best', max_leaf_nodes=huge) assert_raises(Exception, clf.fit, X, y) # Non-regression test: MemoryError used to be dropped by Cython # because of missing "except *". huge = 2 ** (n_bits - 1) - 1 clf = DecisionTreeClassifier(splitter='best', max_leaf_nodes=huge) assert_raises(MemoryError, clf.fit, X, y) def check_sparse_input(tree, dataset, max_depth=None): TreeEstimator = ALL_TREES[tree] X = DATASETS[dataset]["X"] X_sparse = DATASETS[dataset]["X_sparse"] y = DATASETS[dataset]["y"] # Gain testing time if dataset in ["digits", "boston"]: n_samples = X.shape[0] // 5 X = X[:n_samples] X_sparse = X_sparse[:n_samples] y = y[:n_samples] for sparse_format in (csr_matrix, csc_matrix, coo_matrix): X_sparse = sparse_format(X_sparse) # Check the default (depth first search) d = TreeEstimator(random_state=0, max_depth=max_depth).fit(X, y) s = TreeEstimator(random_state=0, max_depth=max_depth).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) y_pred = d.predict(X) if tree in CLF_TREES: y_proba = d.predict_proba(X) y_log_proba = d.predict_log_proba(X) for sparse_matrix in (csr_matrix, csc_matrix, coo_matrix): X_sparse_test = sparse_matrix(X_sparse, dtype=np.float32) assert_array_almost_equal(s.predict(X_sparse_test), y_pred) if tree in CLF_TREES: assert_array_almost_equal(s.predict_proba(X_sparse_test), y_proba) assert_array_almost_equal(s.predict_log_proba(X_sparse_test), y_log_proba) def test_sparse_input(): for tree, dataset in product(SPARSE_TREES, ("clf_small", "toy", "digits", "multilabel", "sparse-pos", "sparse-neg", "sparse-mix", "zeros")): max_depth = 3 if dataset == "digits" else None yield (check_sparse_input, tree, dataset, max_depth) # Due to numerical instability of MSE and too strict test, we limit the # maximal depth for tree, dataset in product(REG_TREES, ["boston", "reg_small"]): if tree in SPARSE_TREES: yield (check_sparse_input, tree, dataset, 2) def check_sparse_parameters(tree, dataset): TreeEstimator = ALL_TREES[tree] X = DATASETS[dataset]["X"] X_sparse = DATASETS[dataset]["X_sparse"] y = DATASETS[dataset]["y"] # Check max_features d = TreeEstimator(random_state=0, max_features=1, max_depth=2).fit(X, y) s = TreeEstimator(random_state=0, max_features=1, max_depth=2).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) assert_array_almost_equal(s.predict(X), d.predict(X)) # Check min_samples_split d = TreeEstimator(random_state=0, max_features=1, min_samples_split=10).fit(X, y) s = TreeEstimator(random_state=0, max_features=1, min_samples_split=10).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) assert_array_almost_equal(s.predict(X), d.predict(X)) # Check min_samples_leaf d = TreeEstimator(random_state=0, min_samples_leaf=X_sparse.shape[0] // 2).fit(X, y) s = TreeEstimator(random_state=0, min_samples_leaf=X_sparse.shape[0] // 2).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) assert_array_almost_equal(s.predict(X), d.predict(X)) # Check best-first search d = TreeEstimator(random_state=0, max_leaf_nodes=3).fit(X, y) s = TreeEstimator(random_state=0, max_leaf_nodes=3).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) assert_array_almost_equal(s.predict(X), d.predict(X)) def test_sparse_parameters(): for tree, dataset in product(SPARSE_TREES, ["sparse-pos", "sparse-neg", "sparse-mix", "zeros"]): yield (check_sparse_parameters, tree, dataset) def check_sparse_criterion(tree, dataset): TreeEstimator = ALL_TREES[tree] X = DATASETS[dataset]["X"] X_sparse = DATASETS[dataset]["X_sparse"] y = DATASETS[dataset]["y"] # Check various criterion CRITERIONS = REG_CRITERIONS if tree in REG_TREES else CLF_CRITERIONS for criterion in CRITERIONS: d = TreeEstimator(random_state=0, max_depth=3, criterion=criterion).fit(X, y) s = TreeEstimator(random_state=0, max_depth=3, criterion=criterion).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) assert_array_almost_equal(s.predict(X), d.predict(X)) def test_sparse_criterion(): for tree, dataset in product(SPARSE_TREES, ["sparse-pos", "sparse-neg", "sparse-mix", "zeros"]): yield (check_sparse_criterion, tree, dataset) def check_explicit_sparse_zeros(tree, max_depth=3, n_features=10): TreeEstimator = ALL_TREES[tree] # n_samples set n_feature to ease construction of a simultaneous # construction of a csr and csc matrix n_samples = n_features samples = np.arange(n_samples) # Generate X, y random_state = check_random_state(0) indices = [] data = [] offset = 0 indptr = [offset] for i in range(n_features): n_nonzero_i = random_state.binomial(n_samples, 0.5) indices_i = random_state.permutation(samples)[:n_nonzero_i] indices.append(indices_i) data_i = random_state.binomial(3, 0.5, size=(n_nonzero_i, )) - 1 data.append(data_i) offset += n_nonzero_i indptr.append(offset) indices = np.concatenate(indices) data = np.array(np.concatenate(data), dtype=np.float32) X_sparse = csc_matrix((data, indices, indptr), shape=(n_samples, n_features)) X = X_sparse.toarray() X_sparse_test = csr_matrix((data, indices, indptr), shape=(n_samples, n_features)) X_test = X_sparse_test.toarray() y = random_state.randint(0, 3, size=(n_samples, )) # Ensure that X_sparse_test owns its data, indices and indptr array X_sparse_test = X_sparse_test.copy() # Ensure that we have explicit zeros assert_greater((X_sparse.data == 0.).sum(), 0) assert_greater((X_sparse_test.data == 0.).sum(), 0) # Perform the comparison d = TreeEstimator(random_state=0, max_depth=max_depth).fit(X, y) s = TreeEstimator(random_state=0, max_depth=max_depth).fit(X_sparse, y) assert_tree_equal(d.tree_, s.tree_, "{0} with dense and sparse format gave different " "trees".format(tree)) Xs = (X_test, X_sparse_test) for X1, X2 in product(Xs, Xs): assert_array_almost_equal(s.tree_.apply(X1), d.tree_.apply(X2)) assert_array_almost_equal(s.apply(X1), d.apply(X2)) assert_array_almost_equal(s.apply(X1), s.tree_.apply(X1)) assert_array_almost_equal(s.predict(X1), d.predict(X2)) if tree in CLF_TREES: assert_array_almost_equal(s.predict_proba(X1), d.predict_proba(X2)) def test_explicit_sparse_zeros(): for tree in SPARSE_TREES: yield (check_explicit_sparse_zeros, tree) @ignore_warnings def check_raise_error_on_1d_input(name): TreeEstimator = ALL_TREES[name] X = iris.data[:, 0].ravel() X_2d = iris.data[:, 0].reshape((-1, 1)) y = iris.target assert_raises(ValueError, TreeEstimator(random_state=0).fit, X, y) est = TreeEstimator(random_state=0) est.fit(X_2d, y) assert_raises(ValueError, est.predict, [X]) @ignore_warnings def test_1d_input(): for name in ALL_TREES: yield check_raise_error_on_1d_input, name def _check_min_weight_leaf_split_level(TreeEstimator, X, y, sample_weight): # Private function to keep pretty printing in nose yielded tests est = TreeEstimator(random_state=0) est.fit(X, y, sample_weight=sample_weight) assert_equal(est.tree_.max_depth, 1) est = TreeEstimator(random_state=0, min_weight_fraction_leaf=0.4) est.fit(X, y, sample_weight=sample_weight) assert_equal(est.tree_.max_depth, 0) def check_min_weight_leaf_split_level(name): TreeEstimator = ALL_TREES[name] X = np.array([[0], [0], [0], [0], [1]]) y = [0, 0, 0, 0, 1] sample_weight = [0.2, 0.2, 0.2, 0.2, 0.2] _check_min_weight_leaf_split_level(TreeEstimator, X, y, sample_weight) if TreeEstimator().splitter in SPARSE_SPLITTERS: _check_min_weight_leaf_split_level(TreeEstimator, csc_matrix(X), y, sample_weight) def test_min_weight_leaf_split_level(): for name in ALL_TREES: yield check_min_weight_leaf_split_level, name def check_public_apply(name): X_small32 = X_small.astype(tree._tree.DTYPE) est = ALL_TREES[name]() est.fit(X_small, y_small) assert_array_equal(est.apply(X_small), est.tree_.apply(X_small32)) def check_public_apply_sparse(name): X_small32 = csr_matrix(X_small.astype(tree._tree.DTYPE)) est = ALL_TREES[name]() est.fit(X_small, y_small) assert_array_equal(est.apply(X_small), est.tree_.apply(X_small32)) def test_public_apply(): for name in ALL_TREES: yield (check_public_apply, name) for name in SPARSE_TREES: yield (check_public_apply_sparse, name)
bsd-3-clause
kaczla/PJN
src/Przecinki/scikit.py
1
1048
#!/usr/bin/python2 # -*- coding: utf-8 -*- import sys import matplotlib.pyplot as plt import numpy as np from sklearn import datasets from sklearn.cross_validation import cross_val_predict from sklearn import linear_model from sklearn import datasets X = [] Y = [] for line in sys.stdin: line = line.rstrip() X.append([len(line.split())]) Y.append(line.count(",")) lr = linear_model.LinearRegression() predicted = cross_val_predict(lr, X, Y) FILE = open(sys.argv[1], "r") X_TEST = [] Y_TEST = [] for line in FILE: line = line.rstrip() Y_TEST.append(line.count(",")) line = line.replace(",", "") X_TEST.append([len(line.split())]) regr = linear_model.LinearRegression() regr.fit(X, Y) print "Coefficients: ", regr.coef_ print "Residual sum of squares: %.2f" % np.mean((regr.predict(X_TEST) - Y_TEST) ** 2) print "Variance score: %.2f" % regr.score(X_TEST, Y_TEST) plt.scatter(X_TEST, Y_TEST, color='black') plt.plot(X_TEST, regr.predict(X_TEST), color='green', linewidth=2) plt.xticks(()) plt.yticks(()) plt.show()
gpl-2.0
chaluemwut/fbserver
venv/lib/python2.7/site-packages/sklearn/neighbors/base.py
1
24541
"""Base and mixin classes for nearest neighbors""" # Authors: Jake Vanderplas <[email protected]> # Fabian Pedregosa <[email protected]> # Alexandre Gramfort <[email protected]> # Sparseness support by Lars Buitinck <[email protected]> # Multi-output support by Arnaud Joly <[email protected]> # # License: BSD 3 clause (C) INRIA, University of Amsterdam import warnings from abc import ABCMeta, abstractmethod import numpy as np from scipy.sparse import csr_matrix, issparse from .ball_tree import BallTree from .kd_tree import KDTree from ..base import BaseEstimator from ..metrics import pairwise_distances from ..metrics.pairwise import PAIRWISE_DISTANCE_FUNCTIONS from ..utils import safe_asarray, atleast2d_or_csr, check_arrays from ..utils.fixes import argpartition from ..utils.validation import DataConversionWarning from ..externals import six VALID_METRICS = dict(ball_tree=BallTree.valid_metrics, kd_tree=KDTree.valid_metrics, # The following list comes from the # sklearn.metrics.pairwise doc string brute=(list(PAIRWISE_DISTANCE_FUNCTIONS.keys()) + ['braycurtis', 'canberra', 'chebyshev', 'correlation', 'cosine', 'dice', 'hamming', 'jaccard', 'kulsinski', 'mahalanobis', 'matching', 'minkowski', 'rogerstanimoto', 'russellrao', 'seuclidean', 'sokalmichener', 'sokalsneath', 'sqeuclidean', 'yule', 'wminkowski'])) VALID_METRICS_SPARSE = dict(ball_tree=[], kd_tree=[], brute=PAIRWISE_DISTANCE_FUNCTIONS.keys()) class NeighborsWarning(UserWarning): pass # Make sure that NeighborsWarning are displayed more than once warnings.simplefilter("always", NeighborsWarning) def _check_weights(weights): """Check to make sure weights are valid""" if weights in (None, 'uniform', 'distance'): return weights elif callable(weights): return weights else: raise ValueError("weights not recognized: should be 'uniform', " "'distance', or a callable function") def _get_weights(dist, weights): """Get the weights from an array of distances and a parameter ``weights`` Parameters =========== dist: ndarray The input distances weights: {'uniform', 'distance' or a callable} The kind of weighting used Returns ======== weights_arr: array of the same shape as ``dist`` if ``weights == 'uniform'``, then returns None """ if weights in (None, 'uniform'): return None elif weights == 'distance': with np.errstate(divide='ignore'): dist = 1. / dist return dist elif callable(weights): return weights(dist) else: raise ValueError("weights not recognized: should be 'uniform', " "'distance', or a callable function") class NeighborsBase(six.with_metaclass(ABCMeta, BaseEstimator)): """Base class for nearest neighbors estimators.""" @abstractmethod def __init__(self): pass def _init_params(self, n_neighbors=None, radius=None, algorithm='auto', leaf_size=30, metric='minkowski', p=2, metric_params=None, **kwargs): if kwargs: warnings.warn("Passing additional arguments to the metric " "function as **kwargs is deprecated " "and will no longer be supported in 0.18. " "Use metric_params instead.", DeprecationWarning, stacklevel=3) if metric_params is None: metric_params = {} metric_params.update(kwargs) self.n_neighbors = n_neighbors self.radius = radius self.algorithm = algorithm self.leaf_size = leaf_size self.metric = metric self.metric_params = metric_params self.p = p if algorithm not in ['auto', 'brute', 'kd_tree', 'ball_tree']: raise ValueError("unrecognized algorithm: '%s'" % algorithm) if algorithm == 'auto': alg_check = 'ball_tree' else: alg_check = algorithm if callable(metric): if algorithm == 'kd_tree': # callable metric is only valid for brute force and ball_tree raise ValueError( "kd_tree algorithm does not support callable metric '%s'" % metric) elif metric not in VALID_METRICS[alg_check]: raise ValueError("Metric '%s' not valid for algorithm '%s'" % (metric, algorithm)) if self.metric_params is not None and 'p' in self.metric_params: warnings.warn("Parameter p is found in metric_params. " "The corresponding parameter from __init__ " "is ignored.", SyntaxWarning, stacklevel=3) effective_p = metric_params['p'] else: effective_p = self.p if self.metric in ['wminkowski', 'minkowski'] and effective_p < 1: raise ValueError("p must be greater than one for minkowski metric") self._fit_X = None self._tree = None self._fit_method = None def _fit(self, X): if self.metric_params is None: self.effective_metric_params_ = {} else: self.effective_metric_params_ = self.metric_params.copy() effective_p = self.effective_metric_params_.get('p', self.p) if self.metric in ['wminkowski', 'minkowski']: self.effective_metric_params_['p'] = effective_p self.effective_metric_ = self.metric # For minkowski distance, use more efficient methods where available if self.metric == 'minkowski': p = self.effective_metric_params_.pop('p', 2) if p < 1: raise ValueError("p must be greater than one " "for minkowski metric") elif p == 1: self.effective_metric_ = 'manhattan' elif p == 2: self.effective_metric_ = 'euclidean' elif p == np.inf: self.effective_metric_ = 'chebyshev' else: self.effective_metric_params_['p'] = p if isinstance(X, NeighborsBase): self._fit_X = X._fit_X self._tree = X._tree self._fit_method = X._fit_method return self elif isinstance(X, BallTree): self._fit_X = X.data self._tree = X self._fit_method = 'ball_tree' return self elif isinstance(X, KDTree): self._fit_X = X.data self._tree = X self._fit_method = 'kd_tree' return self X = atleast2d_or_csr(X, copy=False) n_samples = X.shape[0] if n_samples == 0: raise ValueError("n_samples must be greater than 0") if issparse(X): if self.algorithm not in ('auto', 'brute'): warnings.warn("cannot use tree with sparse input: " "using brute force") if self.effective_metric_ not in VALID_METRICS_SPARSE['brute']: raise ValueError("metric '%s' not valid for sparse input" % self.effective_metric_) self._fit_X = X.copy() self._tree = None self._fit_method = 'brute' return self self._fit_method = self.algorithm self._fit_X = X if self._fit_method == 'auto': # A tree approach is better for small number of neighbors, # and KDTree is generally faster when available if (self.n_neighbors is None or self.n_neighbors < self._fit_X.shape[0] // 2): if self.effective_metric_ in VALID_METRICS['kd_tree']: self._fit_method = 'kd_tree' else: self._fit_method = 'ball_tree' else: self._fit_method = 'brute' if self._fit_method == 'ball_tree': self._tree = BallTree(X, self.leaf_size, metric=self.effective_metric_, **self.effective_metric_params_) elif self._fit_method == 'kd_tree': self._tree = KDTree(X, self.leaf_size, metric=self.effective_metric_, **self.effective_metric_params_) elif self._fit_method == 'brute': self._tree = None else: raise ValueError("algorithm = '%s' not recognized" % self.algorithm) return self class KNeighborsMixin(object): """Mixin for k-neighbors searches""" def kneighbors(self, X, n_neighbors=None, return_distance=True): """Finds the K-neighbors of a point. Returns distance Parameters ---------- X : array-like, last dimension same as that of fit data The new point. n_neighbors : int Number of neighbors to get (default is the value passed to the constructor). return_distance : boolean, optional. Defaults to True. If False, distances will not be returned Returns ------- dist : array Array representing the lengths to point, only present if return_distance=True ind : array Indices of the nearest points in the population matrix. Examples -------- In the following example, we construct a NeighborsClassifier class from an array representing our data set and ask who's the closest point to [1,1,1] >>> samples = [[0., 0., 0.], [0., .5, 0.], [1., 1., .5]] >>> from sklearn.neighbors import NearestNeighbors >>> neigh = NearestNeighbors(n_neighbors=1) >>> neigh.fit(samples) # doctest: +ELLIPSIS NearestNeighbors(algorithm='auto', leaf_size=30, ...) >>> print(neigh.kneighbors([1., 1., 1.])) # doctest: +ELLIPSIS (array([[ 0.5]]), array([[2]]...)) As you can see, it returns [[0.5]], and [[2]], which means that the element is at distance 0.5 and is the third element of samples (indexes start at 0). You can also query for multiple points: >>> X = [[0., 1., 0.], [1., 0., 1.]] >>> neigh.kneighbors(X, return_distance=False) # doctest: +ELLIPSIS array([[1], [2]]...) """ if self._fit_method is None: raise ValueError("must fit neighbors before querying") X = atleast2d_or_csr(X) if n_neighbors is None: n_neighbors = self.n_neighbors if self._fit_method == 'brute': # for efficiency, use squared euclidean distances if self.effective_metric_ == 'euclidean': dist = pairwise_distances(X, self._fit_X, 'euclidean', squared=True) else: dist = pairwise_distances(X, self._fit_X, self.effective_metric_, **self.effective_metric_params_) neigh_ind = argpartition(dist, n_neighbors - 1, axis=1) neigh_ind = neigh_ind[:, :n_neighbors] # argpartition doesn't guarantee sorted order, so we sort again j = np.arange(neigh_ind.shape[0])[:, None] neigh_ind = neigh_ind[j, np.argsort(dist[j, neigh_ind])] if return_distance: if self.effective_metric_ == 'euclidean': return np.sqrt(dist[j, neigh_ind]), neigh_ind else: return dist[j, neigh_ind], neigh_ind else: return neigh_ind elif self._fit_method in ['ball_tree', 'kd_tree']: result = self._tree.query(X, n_neighbors, return_distance=return_distance) return result else: raise ValueError("internal: _fit_method not recognized") def kneighbors_graph(self, X, n_neighbors=None, mode='connectivity'): """Computes the (weighted) graph of k-Neighbors for points in X Parameters ---------- X : array-like, shape = [n_samples, n_features] Sample data n_neighbors : int Number of neighbors for each sample. (default is value passed to the constructor). mode : {'connectivity', 'distance'}, optional Type of returned matrix: 'connectivity' will return the connectivity matrix with ones and zeros, in 'distance' the edges are Euclidean distance between points. Returns ------- A : sparse matrix in CSR format, shape = [n_samples, n_samples_fit] n_samples_fit is the number of samples in the fitted data A[i, j] is assigned the weight of edge that connects i to j. Examples -------- >>> X = [[0], [3], [1]] >>> from sklearn.neighbors import NearestNeighbors >>> neigh = NearestNeighbors(n_neighbors=2) >>> neigh.fit(X) # doctest: +ELLIPSIS NearestNeighbors(algorithm='auto', leaf_size=30, ...) >>> A = neigh.kneighbors_graph(X) >>> A.toarray() array([[ 1., 0., 1.], [ 0., 1., 1.], [ 1., 0., 1.]]) See also -------- NearestNeighbors.radius_neighbors_graph """ X = safe_asarray(X) if n_neighbors is None: n_neighbors = self.n_neighbors n_samples1 = X.shape[0] n_samples2 = self._fit_X.shape[0] n_nonzero = n_samples1 * n_neighbors A_indptr = np.arange(0, n_nonzero + 1, n_neighbors) # construct CSR matrix representation of the k-NN graph if mode == 'connectivity': A_data = np.ones((n_samples1, n_neighbors)) A_ind = self.kneighbors(X, n_neighbors, return_distance=False) elif mode == 'distance': data, ind = self.kneighbors(X, n_neighbors + 1, return_distance=True) A_data, A_ind = data[:, 1:], ind[:, 1:] else: raise ValueError( 'Unsupported mode, must be one of "connectivity" ' 'or "distance" but got "%s" instead' % mode) return csr_matrix((A_data.ravel(), A_ind.ravel(), A_indptr), shape=(n_samples1, n_samples2)) class RadiusNeighborsMixin(object): """Mixin for radius-based neighbors searches""" def radius_neighbors(self, X, radius=None, return_distance=True): """Finds the neighbors within a given radius of a point or points. Returns indices of and distances to the neighbors of each point. Parameters ---------- X : array-like, last dimension same as that of fit data The new point or points radius : float Limiting distance of neighbors to return. (default is the value passed to the constructor). return_distance : boolean, optional. Defaults to True. If False, distances will not be returned Returns ------- dist : array Array representing the euclidean distances to each point, only present if return_distance=True. ind : array Indices of the nearest points in the population matrix. Examples -------- In the following example, we construct a NeighborsClassifier class from an array representing our data set and ask who's the closest point to [1,1,1] >>> samples = [[0., 0., 0.], [0., .5, 0.], [1., 1., .5]] >>> from sklearn.neighbors import NearestNeighbors >>> neigh = NearestNeighbors(radius=1.6) >>> neigh.fit(samples) # doctest: +ELLIPSIS NearestNeighbors(algorithm='auto', leaf_size=30, ...) >>> print(neigh.radius_neighbors([1., 1., 1.])) # doctest: +ELLIPSIS (array([[ 1.5, 0.5]]...), array([[1, 2]]...) The first array returned contains the distances to all points which are closer than 1.6, while the second array returned contains their indices. In general, multiple points can be queried at the same time. Notes ----- Because the number of neighbors of each point is not necessarily equal, the results for multiple query points cannot be fit in a standard data array. For efficiency, `radius_neighbors` returns arrays of objects, where each object is a 1D array of indices or distances. """ if self._fit_method is None: raise ValueError("must fit neighbors before querying") X = atleast2d_or_csr(X) if radius is None: radius = self.radius if self._fit_method == 'brute': # for efficiency, use squared euclidean distances if self.effective_metric_ == 'euclidean': dist = pairwise_distances(X, self._fit_X, 'euclidean', squared=True) radius *= radius else: dist = pairwise_distances(X, self._fit_X, self.effective_metric_, **self.effective_metric_params_) neigh_ind = [np.where(d < radius)[0] for d in dist] # if there are the same number of neighbors for each point, # we can do a normal array. Otherwise, we return an object # array with elements that are numpy arrays try: neigh_ind = np.asarray(neigh_ind, dtype=int) dtype_F = float except ValueError: neigh_ind = np.asarray(neigh_ind, dtype='object') dtype_F = object if return_distance: if self.effective_metric_ == 'euclidean': dist = np.array([np.sqrt(d[neigh_ind[i]]) for i, d in enumerate(dist)], dtype=dtype_F) else: dist = np.array([d[neigh_ind[i]] for i, d in enumerate(dist)], dtype=dtype_F) return dist, neigh_ind else: return neigh_ind elif self._fit_method in ['ball_tree', 'kd_tree']: results = self._tree.query_radius(X, radius, return_distance=return_distance) if return_distance: ind, dist = results return dist, ind else: return results else: raise ValueError("internal: _fit_method not recognized") def radius_neighbors_graph(self, X, radius=None, mode='connectivity'): """Computes the (weighted) graph of Neighbors for points in X Neighborhoods are restricted the points at a distance lower than radius. Parameters ---------- X : array-like, shape = [n_samples, n_features] Sample data radius : float Radius of neighborhoods. (default is the value passed to the constructor). mode : {'connectivity', 'distance'}, optional Type of returned matrix: 'connectivity' will return the connectivity matrix with ones and zeros, in 'distance' the edges are Euclidean distance between points. Returns ------- A : sparse matrix in CSR format, shape = [n_samples, n_samples] A[i, j] is assigned the weight of edge that connects i to j. Examples -------- >>> X = [[0], [3], [1]] >>> from sklearn.neighbors import NearestNeighbors >>> neigh = NearestNeighbors(radius=1.5) >>> neigh.fit(X) # doctest: +ELLIPSIS NearestNeighbors(algorithm='auto', leaf_size=30, ...) >>> A = neigh.radius_neighbors_graph(X) >>> A.toarray() array([[ 1., 0., 1.], [ 0., 1., 0.], [ 1., 0., 1.]]) See also -------- kneighbors_graph """ X = safe_asarray(X) if radius is None: radius = self.radius n_samples1 = X.shape[0] n_samples2 = self._fit_X.shape[0] # construct CSR matrix representation of the NN graph if mode == 'connectivity': A_ind = self.radius_neighbors(X, radius, return_distance=False) A_data = None elif mode == 'distance': dist, A_ind = self.radius_neighbors(X, radius, return_distance=True) A_data = np.concatenate(list(dist)) else: raise ValueError( 'Unsupported mode, must be one of "connectivity", ' 'or "distance" but got %s instead' % mode) n_neighbors = np.array([len(a) for a in A_ind]) n_nonzero = np.sum(n_neighbors) if A_data is None: A_data = np.ones(n_nonzero) A_ind = np.concatenate(list(A_ind)) A_indptr = np.concatenate((np.zeros(1, dtype=int), np.cumsum(n_neighbors))) return csr_matrix((A_data, A_ind, A_indptr), shape=(n_samples1, n_samples2)) class SupervisedFloatMixin(object): def fit(self, X, y): """Fit the model using X as training data and y as target values Parameters ---------- X : {array-like, sparse matrix, BallTree, KDTree} Training data. If array or matrix, shape = [n_samples, n_features] y : {array-like, sparse matrix} Target values, array of float values, shape = [n_samples] or [n_samples, n_outputs] """ if not isinstance(X, (KDTree, BallTree)): X, y = check_arrays(X, y, sparse_format="csr") self._y = y return self._fit(X) class SupervisedIntegerMixin(object): def fit(self, X, y): """Fit the model using X as training data and y as target values Parameters ---------- X : {array-like, sparse matrix, BallTree, KDTree} Training data. If array or matrix, shape = [n_samples, n_features] y : {array-like, sparse matrix} Target values of shape = [n_samples] or [n_samples, n_outputs] """ if not isinstance(X, (KDTree, BallTree)): X, y = check_arrays(X, y, sparse_format="csr") if y.ndim == 1 or y.ndim == 2 and y.shape[1] == 1: if y.ndim != 1: warnings.warn("A column-vector y was passed when a 1d array " "was expected. Please change the shape of y to " "(n_samples, ), for example using ravel().", DataConversionWarning, stacklevel=2) self.outputs_2d_ = False y = y.reshape((-1, 1)) else: self.outputs_2d_ = True self.classes_ = [] self._y = np.empty(y.shape, dtype=np.int) for k in range(self._y.shape[1]): classes, self._y[:, k] = np.unique(y[:, k], return_inverse=True) self.classes_.append(classes) if not self.outputs_2d_: self.classes_ = self.classes_[0] self._y = self._y.ravel() return self._fit(X) class UnsupervisedMixin(object): def fit(self, X, y=None): """Fit the model using X as training data Parameters ---------- X : {array-like, sparse matrix, BallTree, KDTree} Training data. If array or matrix, shape = [n_samples, n_features] """ return self._fit(X)
apache-2.0
Vimos/scikit-learn
sklearn/ensemble/tests/test_partial_dependence.py
365
6996
""" Testing for the partial dependence module. """ import numpy as np from numpy.testing import assert_array_equal from sklearn.utils.testing import assert_raises from sklearn.utils.testing import if_matplotlib from sklearn.ensemble.partial_dependence import partial_dependence from sklearn.ensemble.partial_dependence import plot_partial_dependence from sklearn.ensemble import GradientBoostingClassifier from sklearn.ensemble import GradientBoostingRegressor from sklearn import datasets # toy sample X = [[-2, -1], [-1, -1], [-1, -2], [1, 1], [1, 2], [2, 1]] y = [-1, -1, -1, 1, 1, 1] T = [[-1, -1], [2, 2], [3, 2]] true_result = [-1, 1, 1] # also load the boston dataset boston = datasets.load_boston() # also load the iris dataset iris = datasets.load_iris() def test_partial_dependence_classifier(): # Test partial dependence for classifier clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(X, y) pdp, axes = partial_dependence(clf, [0], X=X, grid_resolution=5) # only 4 grid points instead of 5 because only 4 unique X[:,0] vals assert pdp.shape == (1, 4) assert axes[0].shape[0] == 4 # now with our own grid X_ = np.asarray(X) grid = np.unique(X_[:, 0]) pdp_2, axes = partial_dependence(clf, [0], grid=grid) assert axes is None assert_array_equal(pdp, pdp_2) def test_partial_dependence_multiclass(): # Test partial dependence for multi-class classifier clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, iris.target) grid_resolution = 25 n_classes = clf.n_classes_ pdp, axes = partial_dependence( clf, [0], X=iris.data, grid_resolution=grid_resolution) assert pdp.shape == (n_classes, grid_resolution) assert len(axes) == 1 assert axes[0].shape[0] == grid_resolution def test_partial_dependence_regressor(): # Test partial dependence for regressor clf = GradientBoostingRegressor(n_estimators=10, random_state=1) clf.fit(boston.data, boston.target) grid_resolution = 25 pdp, axes = partial_dependence( clf, [0], X=boston.data, grid_resolution=grid_resolution) assert pdp.shape == (1, grid_resolution) assert axes[0].shape[0] == grid_resolution def test_partial_dependecy_input(): # Test input validation of partial dependence. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(X, y) assert_raises(ValueError, partial_dependence, clf, [0], grid=None, X=None) assert_raises(ValueError, partial_dependence, clf, [0], grid=[0, 1], X=X) # first argument must be an instance of BaseGradientBoosting assert_raises(ValueError, partial_dependence, {}, [0], X=X) # Gradient boosting estimator must be fit assert_raises(ValueError, partial_dependence, GradientBoostingClassifier(), [0], X=X) assert_raises(ValueError, partial_dependence, clf, [-1], X=X) assert_raises(ValueError, partial_dependence, clf, [100], X=X) # wrong ndim for grid grid = np.random.rand(10, 2, 1) assert_raises(ValueError, partial_dependence, clf, [0], grid=grid) @if_matplotlib def test_plot_partial_dependence(): # Test partial dependence plot function. clf = GradientBoostingRegressor(n_estimators=10, random_state=1) clf.fit(boston.data, boston.target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, boston.data, [0, 1, (0, 1)], grid_resolution=grid_resolution, feature_names=boston.feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) # check with str features and array feature names fig, axs = plot_partial_dependence(clf, boston.data, ['CRIM', 'ZN', ('CRIM', 'ZN')], grid_resolution=grid_resolution, feature_names=boston.feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) # check with list feature_names feature_names = boston.feature_names.tolist() fig, axs = plot_partial_dependence(clf, boston.data, ['CRIM', 'ZN', ('CRIM', 'ZN')], grid_resolution=grid_resolution, feature_names=feature_names) assert len(axs) == 3 assert all(ax.has_data for ax in axs) @if_matplotlib def test_plot_partial_dependence_input(): # Test partial dependence plot function input checks. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) # not fitted yet assert_raises(ValueError, plot_partial_dependence, clf, X, [0]) clf.fit(X, y) assert_raises(ValueError, plot_partial_dependence, clf, np.array(X)[:, :0], [0]) # first argument must be an instance of BaseGradientBoosting assert_raises(ValueError, plot_partial_dependence, {}, X, [0]) # must be larger than -1 assert_raises(ValueError, plot_partial_dependence, clf, X, [-1]) # too large feature value assert_raises(ValueError, plot_partial_dependence, clf, X, [100]) # str feature but no feature_names assert_raises(ValueError, plot_partial_dependence, clf, X, ['foobar']) # not valid features value assert_raises(ValueError, plot_partial_dependence, clf, X, [{'foo': 'bar'}]) @if_matplotlib def test_plot_partial_dependence_multiclass(): # Test partial dependence plot function on multi-class input. clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, iris.target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, iris.data, [0, 1], label=0, grid_resolution=grid_resolution) assert len(axs) == 2 assert all(ax.has_data for ax in axs) # now with symbol labels target = iris.target_names[iris.target] clf = GradientBoostingClassifier(n_estimators=10, random_state=1) clf.fit(iris.data, target) grid_resolution = 25 fig, axs = plot_partial_dependence(clf, iris.data, [0, 1], label='setosa', grid_resolution=grid_resolution) assert len(axs) == 2 assert all(ax.has_data for ax in axs) # label not in gbrt.classes_ assert_raises(ValueError, plot_partial_dependence, clf, iris.data, [0, 1], label='foobar', grid_resolution=grid_resolution) # label not provided assert_raises(ValueError, plot_partial_dependence, clf, iris.data, [0, 1], grid_resolution=grid_resolution)
bsd-3-clause
siutanwong/scikit-learn
examples/text/document_clustering.py
230
8356
""" ======================================= Clustering text documents using k-means ======================================= This is an example showing how the scikit-learn can be used to cluster documents by topics using a bag-of-words approach. This example uses a scipy.sparse matrix to store the features instead of standard numpy arrays. Two feature extraction methods can be used in this example: - TfidfVectorizer uses a in-memory vocabulary (a python dict) to map the most frequent words to features indices and hence compute a word occurrence frequency (sparse) matrix. The word frequencies are then reweighted using the Inverse Document Frequency (IDF) vector collected feature-wise over the corpus. - HashingVectorizer hashes word occurrences to a fixed dimensional space, possibly with collisions. The word count vectors are then normalized to each have l2-norm equal to one (projected to the euclidean unit-ball) which seems to be important for k-means to work in high dimensional space. HashingVectorizer does not provide IDF weighting as this is a stateless model (the fit method does nothing). When IDF weighting is needed it can be added by pipelining its output to a TfidfTransformer instance. Two algorithms are demoed: ordinary k-means and its more scalable cousin minibatch k-means. Additionally, latent sematic analysis can also be used to reduce dimensionality and discover latent patterns in the data. It can be noted that k-means (and minibatch k-means) are very sensitive to feature scaling and that in this case the IDF weighting helps improve the quality of the clustering by quite a lot as measured against the "ground truth" provided by the class label assignments of the 20 newsgroups dataset. This improvement is not visible in the Silhouette Coefficient which is small for both as this measure seem to suffer from the phenomenon called "Concentration of Measure" or "Curse of Dimensionality" for high dimensional datasets such as text data. Other measures such as V-measure and Adjusted Rand Index are information theoretic based evaluation scores: as they are only based on cluster assignments rather than distances, hence not affected by the curse of dimensionality. Note: as k-means is optimizing a non-convex objective function, it will likely end up in a local optimum. Several runs with independent random init might be necessary to get a good convergence. """ # Author: Peter Prettenhofer <[email protected]> # Lars Buitinck <[email protected]> # License: BSD 3 clause from __future__ import print_function from sklearn.datasets import fetch_20newsgroups from sklearn.decomposition import TruncatedSVD from sklearn.feature_extraction.text import TfidfVectorizer from sklearn.feature_extraction.text import HashingVectorizer from sklearn.feature_extraction.text import TfidfTransformer from sklearn.pipeline import make_pipeline from sklearn.preprocessing import Normalizer from sklearn import metrics from sklearn.cluster import KMeans, MiniBatchKMeans import logging from optparse import OptionParser import sys from time import time import numpy as np # Display progress logs on stdout logging.basicConfig(level=logging.INFO, format='%(asctime)s %(levelname)s %(message)s') # parse commandline arguments op = OptionParser() op.add_option("--lsa", dest="n_components", type="int", help="Preprocess documents with latent semantic analysis.") op.add_option("--no-minibatch", action="store_false", dest="minibatch", default=True, help="Use ordinary k-means algorithm (in batch mode).") op.add_option("--no-idf", action="store_false", dest="use_idf", default=True, help="Disable Inverse Document Frequency feature weighting.") op.add_option("--use-hashing", action="store_true", default=False, help="Use a hashing feature vectorizer") op.add_option("--n-features", type=int, default=10000, help="Maximum number of features (dimensions)" " to extract from text.") op.add_option("--verbose", action="store_true", dest="verbose", default=False, help="Print progress reports inside k-means algorithm.") print(__doc__) op.print_help() (opts, args) = op.parse_args() if len(args) > 0: op.error("this script takes no arguments.") sys.exit(1) ############################################################################### # Load some categories from the training set categories = [ 'alt.atheism', 'talk.religion.misc', 'comp.graphics', 'sci.space', ] # Uncomment the following to do the analysis on all the categories #categories = None print("Loading 20 newsgroups dataset for categories:") print(categories) dataset = fetch_20newsgroups(subset='all', categories=categories, shuffle=True, random_state=42) print("%d documents" % len(dataset.data)) print("%d categories" % len(dataset.target_names)) print() labels = dataset.target true_k = np.unique(labels).shape[0] print("Extracting features from the training dataset using a sparse vectorizer") t0 = time() if opts.use_hashing: if opts.use_idf: # Perform an IDF normalization on the output of HashingVectorizer hasher = HashingVectorizer(n_features=opts.n_features, stop_words='english', non_negative=True, norm=None, binary=False) vectorizer = make_pipeline(hasher, TfidfTransformer()) else: vectorizer = HashingVectorizer(n_features=opts.n_features, stop_words='english', non_negative=False, norm='l2', binary=False) else: vectorizer = TfidfVectorizer(max_df=0.5, max_features=opts.n_features, min_df=2, stop_words='english', use_idf=opts.use_idf) X = vectorizer.fit_transform(dataset.data) print("done in %fs" % (time() - t0)) print("n_samples: %d, n_features: %d" % X.shape) print() if opts.n_components: print("Performing dimensionality reduction using LSA") t0 = time() # Vectorizer results are normalized, which makes KMeans behave as # spherical k-means for better results. Since LSA/SVD results are # not normalized, we have to redo the normalization. svd = TruncatedSVD(opts.n_components) normalizer = Normalizer(copy=False) lsa = make_pipeline(svd, normalizer) X = lsa.fit_transform(X) print("done in %fs" % (time() - t0)) explained_variance = svd.explained_variance_ratio_.sum() print("Explained variance of the SVD step: {}%".format( int(explained_variance * 100))) print() ############################################################################### # Do the actual clustering if opts.minibatch: km = MiniBatchKMeans(n_clusters=true_k, init='k-means++', n_init=1, init_size=1000, batch_size=1000, verbose=opts.verbose) else: km = KMeans(n_clusters=true_k, init='k-means++', max_iter=100, n_init=1, verbose=opts.verbose) print("Clustering sparse data with %s" % km) t0 = time() km.fit(X) print("done in %0.3fs" % (time() - t0)) print() print("Homogeneity: %0.3f" % metrics.homogeneity_score(labels, km.labels_)) print("Completeness: %0.3f" % metrics.completeness_score(labels, km.labels_)) print("V-measure: %0.3f" % metrics.v_measure_score(labels, km.labels_)) print("Adjusted Rand-Index: %.3f" % metrics.adjusted_rand_score(labels, km.labels_)) print("Silhouette Coefficient: %0.3f" % metrics.silhouette_score(X, km.labels_, sample_size=1000)) print() if not opts.use_hashing: print("Top terms per cluster:") if opts.n_components: original_space_centroids = svd.inverse_transform(km.cluster_centers_) order_centroids = original_space_centroids.argsort()[:, ::-1] else: order_centroids = km.cluster_centers_.argsort()[:, ::-1] terms = vectorizer.get_feature_names() for i in range(true_k): print("Cluster %d:" % i, end='') for ind in order_centroids[i, :10]: print(' %s' % terms[ind], end='') print()
bsd-3-clause
COL-IU/XLSearch
xlsearch_train.py
1
5042
import sys import pickle import os import getopt from time import ctime import numpy as np usage = ''' USAGE: python xlsearch_train.py -l [path to xlsearch library] -p [parameter file] -o [output file]''' (pairs, args) = getopt.getopt(sys.argv[1:], 'l:p:o:') cmd_arg = dict() for i in range(len(pairs)): cmd_arg[pairs[i][0]] = pairs[i][1] if len(cmd_arg) != 3: print usage sys.exit(1) lib_path = cmd_arg['-l'] param_file = cmd_arg['-p'] output_file = cmd_arg['-o'] sys.path.append(lib_path) from utility import * from index import EnumIndexBuilder from fastareader import FastaReader print 'XLSearch, version 1.0' print 'Copyright of School of Informatics and Computing, Indiana University' print 'Current time %s' % ctime() print 'Training logistic regression models using authetic true-true PSMs...' print '\nReading paramters from: %s...' % param_file [param, mass] = read_param(param_file) param['ntermxlink'] = False param['neutral_loss']['h2o_loss']['aa'] = set('DEST') param['neutral_loss']['nh3_loss']['aa'] = set('KNQR') param['neutral_loss']['h2o_gain']['aa'] = set() mass['C'] = 103.009184 print 'Reading parameters done!' print '\nReading MSMS spectra files from directory: %s...' % param['ms_data'] spec_dict = read_spec(param['ms_data'], param, mass) pickle.dump(spec_dict, file('spectra.pickle', 'w')) print 'Total number of spectra: %d' % len(spec_dict) print 'Reading MSMS spectra files done!' print '\nDeisotoping MSMS spectra...' spec_dict = pickle.load(file('spectra.pickle')) deisotoped = dict() titles = spec_dict.keys() for i in range(len(titles)): title = titles[i] (one, align) = spec_dict[title].deisotope(mass, 4, 0.02) deisotoped[title] = one pickle.dump(deisotoped, file('deisotoped.pickle', 'w')) deisotoped = pickle.load(file('deisotoped.pickle')) spec_dict = deisotoped print 'Deisotoping MSMS spectra done!' print 'Current time %s' % ctime() print '\nBuilding index for all possible inter-peptide cross-links...' index = EnumIndexBuilder(param['target_database'], spec_dict, mass, param) pickle.dump(index, file('index.pickle', 'w')) index = pickle.load(file('index.pickle')) print 'Building index done!' print 'Current time %s' % ctime() print '\nComputing features for candidate PSMs for query spectra...' results = [] titles = [] for title in index.search_index.keys(): if len(index.search_index[title]) != 0: titles.append(title) length = len(titles) for i in range(0, length): print '%d / %d' % (i, length) sys.stdout.flush() title = titles[i] result = get_matches_per_spec(mass, param, index, title) result = [title, result] results.append(result) print 'Computing features done!\n' print 'Current time: %s' % ctime() pickle.dump(results, file('results.pickle', 'w')) results = pickle.load(file('results.pickle')) print 'Extracting authentic true-true PSMs...' true_true = get_true_true(results, index, param, mass) pickle.dump(true_true, file('TT.pickle', 'w')) print 'Extracting authentic true-true PSMs done!' print 'Extracting true-false PSMs based on true-true PSMs as seeds...' true_false = get_true_false(true_true, param, mass) pickle.dump(true_false, file('TF.pickle', 'w')) print 'Extracting true-false PSMs done!' print 'Extracting false-false PSMs based on true-true PSMs as seeds...' false_false = get_false_false(true_true, param, mass) pickle.dump(false_false, file('FF.pickle', 'w')) print 'Extracting false-false PSMs done!' print 'Computing feature matrix for true-true, true-false, false-false PSMs...' X_true_true = get_feature_matrix(true_true) X_true_false = get_feature_matrix(true_false) X_false_false = get_feature_matrix(false_false) X_TT_TF = np.concatenate((X_true_true, X_true_false), axis = 0) y_TT_TF = [] y_TT_TF.extend([1.0] * len(true_true)) y_TT_TF.extend([0.0] * len(true_false)) y_TT_TF = np.asarray(y_TT_TF) y_TT_TF = y_TT_TF.T X_TF_FF = np.concatenate((X_true_false, X_false_false), axis = 0) y_TF_FF = [] y_TF_FF.extend([1.0] * len(true_false)) y_TF_FF.extend([0.0] * len(false_false)) y_TF_FF = np.asarray(y_TF_FF) y_TF_FF = y_TF_FF.T print 'Computing features done!' from sklearn import linear_model log_reg = linear_model.LogisticRegression() log_reg.fit(X_TT_TF, y_TT_TF) model_TT_TF = [] model_TT_TF.extend(log_reg.intercept_.tolist()) model_TT_TF.extend(log_reg.coef_.tolist()) log_reg = linear_model.LogisticRegression() log_reg.fit(X_TF_FF, y_TF_FF) model_TF_FF = [] model_TF_FF.extend(log_reg.intercept_.tolist()) model_TF_FF.extend(log_reg.coef_.tolist()) f = open(output_file, 'w') f.write('# Classifier I (TT-TF) coefficients') for i in range(len(model_TT_TF)): f.write('CI%02d\t') f.write('%.60f\n' % model_TT_TF[i]) f.write('# Classifier II (TF-FF) coefficients') for i in range(len(model_TF_FF)): f.write('CII%02d\t') f.write('%.60f\n' % model_TF_FF[i]) f.write('nTT\t%d\n' % len(true_true)) f.write('nTF\t%d\n' % len(true_false)) f.write('nFF\t%d\n' % len(false_false)) f.close() print 'XLSearch train mode finished!'
mit
meduz/scikit-learn
examples/linear_model/plot_lasso_lars.py
363
1080
#!/usr/bin/env python """ ===================== Lasso path using LARS ===================== Computes Lasso Path along the regularization parameter using the LARS algorithm on the diabetes dataset. Each color represents a different feature of the coefficient vector, and this is displayed as a function of the regularization parameter. """ print(__doc__) # Author: Fabian Pedregosa <[email protected]> # Alexandre Gramfort <[email protected]> # License: BSD 3 clause import numpy as np import matplotlib.pyplot as plt from sklearn import linear_model from sklearn import datasets diabetes = datasets.load_diabetes() X = diabetes.data y = diabetes.target print("Computing regularization path using the LARS ...") alphas, _, coefs = linear_model.lars_path(X, y, method='lasso', verbose=True) xx = np.sum(np.abs(coefs.T), axis=1) xx /= xx[-1] plt.plot(xx, coefs.T) ymin, ymax = plt.ylim() plt.vlines(xx, ymin, ymax, linestyle='dashed') plt.xlabel('|coef| / max|coef|') plt.ylabel('Coefficients') plt.title('LASSO Path') plt.axis('tight') plt.show()
bsd-3-clause
YAML Metadata Warning: The task_categories "conversational" is not in the official list: text-classification, token-classification, table-question-answering, question-answering, zero-shot-classification, translation, summarization, feature-extraction, text-generation, text2text-generation, fill-mask, sentence-similarity, text-to-speech, text-to-audio, automatic-speech-recognition, audio-to-audio, audio-classification, voice-activity-detection, depth-estimation, image-classification, object-detection, image-segmentation, text-to-image, image-to-text, image-to-image, image-to-video, unconditional-image-generation, video-classification, reinforcement-learning, robotics, tabular-classification, tabular-regression, tabular-to-text, table-to-text, multiple-choice, text-retrieval, time-series-forecasting, text-to-video, image-text-to-text, visual-question-answering, document-question-answering, zero-shot-image-classification, graph-ml, mask-generation, zero-shot-object-detection, text-to-3d, image-to-3d, image-feature-extraction, other

dataset_info: features:

  • name: repo_name dtype: string
  • name: path dtype: string
  • name: copies dtype: string
  • name: size dtype: string
  • name: content dtype: string
  • name: license dtype: string splits:
  • name: train num_bytes: 3147402833.3951 num_examples: 241075
  • name: valid num_bytes: 17472318.29500301 num_examples: 1312 download_size: 966099631 dataset_size: 3164875151.690103 configs:
  • config_name: default data_files:
    • split: train path: data/train-*
    • split: valid path: data/valid-* license: mit
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