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view iraps_classifier.py @ 24:b628de0d101f draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit ab963ec9498bd05d2fb2f24f75adb2fccae7958c
author | bgruening |
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date | Wed, 15 May 2019 07:40:56 -0400 |
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""" class IRAPSCore class IRAPSClassifier class BinarizeTargetClassifier class BinarizeTargetRegressor class _BinarizeTargetScorer class _BinarizeTargetProbaScorer binarize_auc_scorer binarize_average_precision_scorer binarize_accuracy_scorer binarize_balanced_accuracy_scorer binarize_precision_scorer binarize_recall_scorer """ import numpy as np import random import warnings from abc import ABCMeta from scipy.stats import ttest_ind from sklearn import metrics from sklearn.base import BaseEstimator, clone, RegressorMixin from sklearn.externals import six from sklearn.feature_selection.univariate_selection import _BaseFilter from sklearn.metrics.scorer import _BaseScorer from sklearn.pipeline import Pipeline from sklearn.utils import as_float_array, check_X_y from sklearn.utils._joblib import Parallel, delayed from sklearn.utils.validation import (check_array, check_is_fitted, check_memory, column_or_1d) VERSION = '0.1.1' class IRAPSCore(six.with_metaclass(ABCMeta, BaseEstimator)): """ Base class of IRAPSClassifier From sklearn BaseEstimator: get_params() set_params() Parameters ---------- n_iter : int sample count positive_thres : float z_score shreshold to discretize positive target values negative_thres : float z_score threshold to discretize negative target values verbose : int 0 or geater, if not 0, print progress n_jobs : int, default=1 The number of CPUs to use to do the computation. pre_dispatch : int, or string. 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' random_state : int or None """ def __init__(self, n_iter=1000, positive_thres=-1, negative_thres=0, verbose=0, n_jobs=1, pre_dispatch='2*n_jobs', random_state=None): """ IRAPS turns towwards general Anomaly Detection It comapares positive_thres with negative_thres, and decide which portion is the positive target. e.g.: (positive_thres=-1, negative_thres=0) => positive = Z_score of target < -1 (positive_thres=1, negative_thres=0) => positive = Z_score of target > 1 Note: The positive targets here is always the abnormal minority group. """ self.n_iter = n_iter self.positive_thres = positive_thres self.negative_thres = negative_thres self.verbose = verbose self.n_jobs = n_jobs self.pre_dispatch = pre_dispatch self.random_state = random_state def fit(self, X, y): """ X: array-like (n_samples x n_features) y: 1-d array-like (n_samples) """ X, y = check_X_y(X, y, ['csr', 'csc'], multi_output=False) def _stochastic_sampling(X, y, random_state=None, positive_thres=-1, negative_thres=0): # each iteration select a random number of random subset of # training samples. this is somewhat different from the original # IRAPS method, but effect is almost the same. SAMPLE_SIZE = [0.25, 0.75] n_samples = X.shape[0] if random_state is None: n_select = random.randint(int(n_samples * SAMPLE_SIZE[0]), int(n_samples * SAMPLE_SIZE[1])) index = random.sample(list(range(n_samples)), n_select) else: n_select = random.Random(random_state).randint( int(n_samples * SAMPLE_SIZE[0]), int(n_samples * SAMPLE_SIZE[1])) index = random.Random(random_state).sample( list(range(n_samples)), n_select) X_selected, y_selected = X[index], y[index] # Spliting by z_scores. y_selected = (y_selected - y_selected.mean()) / y_selected.std() if positive_thres < negative_thres: X_selected_positive = X_selected[y_selected < positive_thres] X_selected_negative = X_selected[y_selected > negative_thres] else: X_selected_positive = X_selected[y_selected > positive_thres] X_selected_negative = X_selected[y_selected < negative_thres] # For every iteration, at least 5 responders are selected if X_selected_positive.shape[0] < 5: warnings.warn("Warning: fewer than 5 positives were selected!") return # p_values _, p = ttest_ind(X_selected_positive, X_selected_negative, axis=0, equal_var=False) # fold_change == mean change? # TODO implement other normalization method positive_mean = X_selected_positive.mean(axis=0) negative_mean = X_selected_negative.mean(axis=0) mean_change = positive_mean - negative_mean # mean_change = np.select( # [positive_mean > negative_mean, # positive_mean < negative_mean], # [positive_mean / negative_mean, # -negative_mean / positive_mean]) # mean_change could be adjusted by power of 2 # mean_change = 2**mean_change \ # if mean_change>0 else -2**abs(mean_change) return p, mean_change, negative_mean parallel = Parallel(n_jobs=self.n_jobs, verbose=self.verbose, pre_dispatch=self.pre_dispatch) if self.random_state is None: res = parallel(delayed(_stochastic_sampling)( X, y, random_state=None, positive_thres=self.positive_thres, negative_thres=self.negative_thres) for i in range(self.n_iter)) else: res = parallel(delayed(_stochastic_sampling)( X, y, random_state=seed, positive_thres=self.positive_thres, negative_thres=self.negative_thres) for seed in range(self.random_state, self.random_state+self.n_iter)) res = [_ for _ in res if _] if len(res) < 50: raise ValueError("too few (%d) valid feature lists " "were generated!" % len(res)) pvalues = np.vstack([x[0] for x in res]) fold_changes = np.vstack([x[1] for x in res]) base_values = np.vstack([x[2] for x in res]) self.pvalues_ = np.asarray(pvalues) self.fold_changes_ = np.asarray(fold_changes) self.base_values_ = np.asarray(base_values) return self def _iraps_core_fit(iraps_core, X, y): return iraps_core.fit(X, y) class IRAPSClassifier(six.with_metaclass(ABCMeta, _BaseFilter, BaseEstimator, RegressorMixin)): """ Extend the bases of both sklearn feature_selector and classifier. From sklearn BaseEstimator: get_params() set_params() From sklearn _BaseFilter: get_support() fit_transform(X) transform(X) From sklearn RegressorMixin: score(X, y): R2 New: predict(X) predict_label(X) get_signature() Properties: discretize_value Parameters ---------- iraps_core: object p_thres: float, threshold for p_values fc_thres: float, threshold for fold change or mean difference occurrence: float, occurrence rate selected by set of p_thres and fc_thres discretize: float, threshold of z_score to discretize target value memory: None, str or joblib.Memory object min_signature_features: int, the mininum number of features in a signature """ def __init__(self, iraps_core, p_thres=1e-4, fc_thres=0.1, occurrence=0.8, discretize=-1, memory=None, min_signature_features=1): self.iraps_core = iraps_core self.p_thres = p_thres self.fc_thres = fc_thres self.occurrence = occurrence self.discretize = discretize self.memory = memory self.min_signature_features = min_signature_features def fit(self, X, y): memory = check_memory(self.memory) cached_fit = memory.cache(_iraps_core_fit) iraps_core = clone(self.iraps_core) # allow pre-fitted iraps_core here if not hasattr(iraps_core, 'pvalues_'): iraps_core = cached_fit(iraps_core, X, y) self.iraps_core_ = iraps_core pvalues = as_float_array(iraps_core.pvalues_, copy=True) # why np.nan is here? pvalues[np.isnan(pvalues)] = np.finfo(pvalues.dtype).max fold_changes = as_float_array(iraps_core.fold_changes_, copy=True) fold_changes[np.isnan(fold_changes)] = 0.0 base_values = as_float_array(iraps_core.base_values_, copy=True) p_thres = self.p_thres fc_thres = self.fc_thres occurrence = self.occurrence mask_0 = np.zeros(pvalues.shape, dtype=np.int32) # mark p_values less than the threashold mask_0[pvalues <= p_thres] = 1 # mark fold_changes only when greater than the threashold mask_0[abs(fold_changes) < fc_thres] = 0 # count the occurrence and mask greater than the threshold counts = mask_0.sum(axis=0) occurrence_thres = int(occurrence * iraps_core.n_iter) mask = np.zeros(counts.shape, dtype=bool) mask[counts >= occurrence_thres] = 1 # generate signature fold_changes[mask_0 == 0] = 0.0 signature = fold_changes[:, mask].sum(axis=0) / counts[mask] signature = np.vstack((signature, base_values[:, mask].mean(axis=0))) # It's not clearn whether min_size could impact prediction # performance if signature is None\ or signature.shape[1] < self.min_signature_features: raise ValueError("The classifier got None signature or the number " "of sinature feature is less than minimum!") self.signature_ = np.asarray(signature) self.mask_ = mask # TODO: support other discretize method: fixed value, upper # third quater, etc. self.discretize_value = y.mean() + y.std() * self.discretize if iraps_core.negative_thres > iraps_core.positive_thres: self.less_is_positive = True else: self.less_is_positive = False return self def _get_support_mask(self): """ return mask of feature selection indices """ check_is_fitted(self, 'mask_') return self.mask_ def get_signature(self): """ return signature """ check_is_fitted(self, 'signature_') return self.signature_ def predict(self, X): """ compute the correlation coefficient with irpas signature """ signature = self.get_signature() X = as_float_array(X) X_transformed = self.transform(X) - signature[1] corrcoef = np.array( [np.corrcoef(signature[0], e)[0][1] for e in X_transformed]) corrcoef[np.isnan(corrcoef)] = np.finfo(np.float32).min return corrcoef def predict_label(self, X, clf_cutoff=0.4): return self.predict(X) >= clf_cutoff class BinarizeTargetClassifier(BaseEstimator, RegressorMixin): """ Convert continuous target to binary labels (True and False) and apply a classification estimator. Parameters ---------- classifier: object Estimator object such as derived from sklearn `ClassifierMixin`. z_score: float, default=-1.0 Threshold value based on z_score. Will be ignored when fixed_value is set value: float, default=None Threshold value less_is_positive: boolean, default=True When target is less the threshold value, it will be converted to True, False otherwise. Attributes ---------- classifier_: object Fitted classifier discretize_value: float The threshold value used to discretize True and False targets """ def __init__(self, classifier, z_score=-1, value=None, less_is_positive=True): self.classifier = classifier self.z_score = z_score self.value = value self.less_is_positive = less_is_positive def fit(self, X, y, sample_weight=None): """ Convert y to True and False labels and then fit the classifier with X and new y Returns ------ self: object """ y = check_array(y, accept_sparse=False, force_all_finite=True, ensure_2d=False, dtype='numeric') y = column_or_1d(y) if self.value is None: discretize_value = y.mean() + y.std() * self.z_score else: discretize_value = self.Value self.discretize_value = discretize_value if self.less_is_positive: y_trans = y < discretize_value else: y_trans = y > discretize_value self.classifier_ = clone(self.classifier) if sample_weight is not None: self.classifier_.fit(X, y_trans, sample_weight=sample_weight) else: self.classifier_.fit(X, y_trans) if hasattr(self.classifier_, 'feature_importances_'): self.feature_importances_ = self.classifier_.feature_importances_ if hasattr(self.classifier_, 'coef_'): self.coef_ = self.classifier_.coef_ if hasattr(self.classifier_, 'n_outputs_'): self.n_outputs_ = self.classifier_.n_outputs_ if hasattr(self.classifier_, 'n_features_'): self.n_features_ = self.classifier_.n_features_ return self def predict(self, X): """ Predict class probabilities of X. """ check_is_fitted(self, 'classifier_') proba = self.classifier_.predict_proba(X) return proba[:, 1] def predict_label(self, X): """Predict class label of X """ check_is_fitted(self, 'classifier_') return self.classifier_.predict(X) class _BinarizeTargetProbaScorer(_BaseScorer): """ base class to make binarized target specific scorer """ def __call__(self, clf, X, y, sample_weight=None): clf_name = clf.__class__.__name__ # support pipeline object if isinstance(clf, Pipeline): main_estimator = clf.steps[-1][-1] # support stacking ensemble estimators # TODO support nested pipeline/stacking estimators elif clf_name in ['StackingCVClassifier', 'StackingClassifier']: main_estimator = clf.meta_clf_ elif clf_name in ['StackingCVRegressor', 'StackingRegressor']: main_estimator = clf.meta_regr_ else: main_estimator = clf discretize_value = main_estimator.discretize_value less_is_positive = main_estimator.less_is_positive if less_is_positive: y_trans = y < discretize_value else: y_trans = y > discretize_value y_pred = clf.predict(X) if sample_weight is not None: return self._sign * self._score_func(y_trans, y_pred, sample_weight=sample_weight, **self._kwargs) else: return self._sign * self._score_func(y_trans, y_pred, **self._kwargs) # roc_auc binarize_auc_scorer =\ _BinarizeTargetProbaScorer(metrics.roc_auc_score, 1, {}) # average_precision_scorer binarize_average_precision_scorer =\ _BinarizeTargetProbaScorer(metrics.average_precision_score, 1, {}) # roc_auc_scorer iraps_auc_scorer = binarize_auc_scorer # average_precision_scorer iraps_average_precision_scorer = binarize_average_precision_scorer class BinarizeTargetRegressor(BaseEstimator, RegressorMixin): """ Extend regression estimator to have discretize_value Parameters ---------- regressor: object Estimator object such as derived from sklearn `RegressionMixin`. z_score: float, default=-1.0 Threshold value based on z_score. Will be ignored when fixed_value is set value: float, default=None Threshold value less_is_positive: boolean, default=True When target is less the threshold value, it will be converted to True, False otherwise. Attributes ---------- regressor_: object Fitted regressor discretize_value: float The threshold value used to discretize True and False targets """ def __init__(self, regressor, z_score=-1, value=None, less_is_positive=True): self.regressor = regressor self.z_score = z_score self.value = value self.less_is_positive = less_is_positive def fit(self, X, y, sample_weight=None): """ Calculate the discretize_value fit the regressor with traning data Returns ------ self: object """ y = check_array(y, accept_sparse=False, force_all_finite=True, ensure_2d=False, dtype='numeric') y = column_or_1d(y) if self.value is None: discretize_value = y.mean() + y.std() * self.z_score else: discretize_value = self.Value self.discretize_value = discretize_value self.regressor_ = clone(self.regressor) if sample_weight is not None: self.regressor_.fit(X, y, sample_weight=sample_weight) else: self.regressor_.fit(X, y) # attach classifier attributes if hasattr(self.regressor_, 'feature_importances_'): self.feature_importances_ = self.regressor_.feature_importances_ if hasattr(self.regressor_, 'coef_'): self.coef_ = self.regressor_.coef_ if hasattr(self.regressor_, 'n_outputs_'): self.n_outputs_ = self.regressor_.n_outputs_ if hasattr(self.regressor_, 'n_features_'): self.n_features_ = self.regressor_.n_features_ return self def predict(self, X): """Predict target value of X """ check_is_fitted(self, 'regressor_') y_pred = self.regressor_.predict(X) if not np.all((y_pred >= 0) & (y_pred <= 1)): y_pred = (y_pred - y_pred.min()) / (y_pred.max() - y_pred.min()) if self.less_is_positive: y_pred = 1 - y_pred return y_pred # roc_auc_scorer regression_auc_scorer = binarize_auc_scorer # average_precision_scorer regression_average_precision_scorer = binarize_average_precision_scorer