# HG changeset patch # User bgruening # Date 1546153352 18000 # Node ID 86e1e28744600c8fe106c11d499223746c94ae78 # Parent 33d2606fdb3f2e4bc75747baaa862ecc162084cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 57f4407e278a615f47a377a3328782b1d8e0b54d diff -r 33d2606fdb3f -r 86e1e2874460 main_macros.xml --- a/main_macros.xml Thu Oct 11 03:38:11 2018 -0400 +++ b/main_macros.xml Sun Dec 30 02:02:32 2018 -0500 @@ -1,13 +1,13 @@ - 0.9 + 1.0 python - scikit-learn - pandas - xgboost - asteval + scikit-learn + pandas + xgboost + asteval @@ -244,7 +244,7 @@ - + @@ -346,20 +346,20 @@ + - - + + + + - - - @@ -543,9 +543,18 @@ + + + + + + + + +
@@ -730,8 +739,8 @@ - + - - - - - - - - - - + - - - - -
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+ + + + + + + + + + + + + + + @@ -945,21 +1103,6 @@ - - - - - - - - - - - - - - - @@ -1122,22 +1265,22 @@ - + - - - - - - - - - - - - + + + + + + + + + + + + @@ -1244,6 +1387,30 @@ + + + + + + + + + + + + + + + + + + + + + + + + @@ -1373,7 +1540,7 @@ - + - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -1498,4 +1768,19 @@ + + + @article{JMLR:v18:16-365, + author = {Guillaume Lema{{\^i}}tre and Fernando Nogueira and Christos K. Aridas}, + title = {Imbalanced-learn: A Python Toolbox to Tackle the Curse of Imbalanced Datasets in Machine Learning}, + journal = {Journal of Machine Learning Research}, + year = {2017}, + volume = {18}, + number = {17}, + pages = {1-5}, + url = {http://jmlr.org/papers/v18/16-365.html} + } + + + diff -r 33d2606fdb3f -r 86e1e2874460 model_validation.xml --- a/model_validation.xml Thu Oct 11 03:38:11 2018 -0400 +++ b/model_validation.xml Sun Dec 30 02:02:32 2018 -0500 @@ -23,24 +23,26 @@ from sklearn import preprocessing, model_selection, svm, linear_model, ensemble, naive_bayes, tree, neighbors from sklearn.pipeline import Pipeline -exec(open("$__tool_directory__/utils.py").read(), globals()) +exec(open('$__tool_directory__/utils.py').read(), globals()) + +warnings.filterwarnings('ignore') safe_eval = SafeEval() input_json_path = sys.argv[1] -with open(input_json_path, "r") as param_handler: +with open(input_json_path, 'r') as param_handler: params = json.load(param_handler) -input_type = params["input_options"]["selected_input"] -if input_type=="tabular": - header = 'infer' if params["input_options"]["header1"] else None - column_option = params["input_options"]["column_selector_options_1"]["selected_column_selector_option"] - if column_option in ["by_index_number", "all_but_by_index_number", "by_header_name", "all_but_by_header_name"]: - c = params["input_options"]["column_selector_options_1"]["col1"] +input_type = params['input_options']['selected_input'] +if input_type == 'tabular': + header = 'infer' if params['input_options']['header1'] else None + column_option = params['input_options']['column_selector_options_1']['selected_column_selector_option'] + if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['input_options']['column_selector_options_1']['col1'] else: c = None X = read_columns( - "$input_options.infile1", + '$input_options.infile1', c = c, c_option = column_option, sep='\t', @@ -48,16 +50,16 @@ parse_dates=True ) else: - X = mmread("$input_options.infile1") + X = mmread('$input_options.infile1') -header = 'infer' if params["input_options"]["header2"] else None -column_option = params["input_options"]["column_selector_options_2"]["selected_column_selector_option2"] -if column_option in ["by_index_number", "all_but_by_index_number", "by_header_name", "all_but_by_header_name"]: - c = params["input_options"]["column_selector_options_2"]["col2"] +header = 'infer' if params['input_options']['header2'] else None +column_option = params['input_options']['column_selector_options_2']['selected_column_selector_option2'] +if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['input_options']['column_selector_options_2']['col2'] else: c = None y = read_columns( - "$input_options.infile2", + '$input_options.infile2', c = c, c_option = column_option, sep='\t', @@ -66,8 +68,14 @@ ) y=y.ravel() -options = params["model_validation_functions"]["options"] -options['cv'] = get_cv( options['cv'] ) +options = params['model_validation_functions']['options'] +splitter, groups = get_cv( options.pop('cv_selector') ) +if groups is None: + options['cv'] = splitter +elif groups == '': + options['cv'] = list( splitter.split(X, y, groups=None) ) +else: + options['cv'] = list( splitter.split(X, y, groups=groups) ) options['n_jobs'] = N_JOBS if 'scoring' in options: options['scoring'] = get_scoring(options['scoring']) @@ -78,8 +86,8 @@ ## Set up pre_processor and add to pipeline steps. if params['pre_processing']['do_pre_processing'] == 'Yes': - preprocessor = params["pre_processing"]["pre_processors"]["selected_pre_processor"] - pre_processor_options = params["pre_processing"]["pre_processors"]["options"] + preprocessor = params['pre_processing']['pre_processors']['selected_pre_processor'] + pre_processor_options = params['pre_processing']['pre_processors']['options'] my_class = getattr(preprocessing, preprocessor) pipeline_steps.append( ('pre_processor', my_class(**pre_processor_options)) ) @@ -89,7 +97,7 @@ pipeline_steps.append( ('feature_selector', feature_selector) ) ## Set up estimator and add to pipeline. -estimator_json = params["model_validation_functions"]['estimator_selector'] +estimator_json = params['model_validation_functions']['estimator_selector'] estimator = get_estimator(estimator_json) pipeline_steps.append( ('estimator', estimator) ) @@ -98,11 +106,11 @@ ## Set up validator, run pipeline through validator and return results. -validator = params["model_validation_functions"]["selected_function"] +validator = params['model_validation_functions']['selected_function'] validator = getattr(model_selection, validator) -selected_function = params["model_validation_functions"]["selected_function"] -rval_type = params["model_validation_functions"].get("return_type", None) +selected_function = params['model_validation_functions']['selected_function'] +rval_type = params['model_validation_functions'].get('return_type', None) if selected_function == 'cross_validate': res = validator(pipeline, X, y, **options) @@ -114,7 +122,7 @@ elif selected_function == 'permutation_test_score': score, permutation_scores, pvalue = validator(pipeline, X, y, **options) rval = eval(rval_type) - if rval_type in ["score", "pvalue"]: + if rval_type in ['score', 'pvalue']: rval = [rval] elif selected_function == 'validation_curve': options['param_name'] = 'estimator__' + options['param_name'] @@ -125,7 +133,7 @@ rval = validator(pipeline, X, y, **options) rval = pandas.DataFrame(rval) -rval.to_csv(path_or_buf="$outfile", sep='\t', header=False, index=False) +rval.to_csv(path_or_buf='$outfile', sep='\t', header=False, index=False) ]]> @@ -151,9 +159,7 @@ - - - + diff -r 33d2606fdb3f -r 86e1e2874460 search_model_validation.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/search_model_validation.py Sun Dec 30 02:02:32 2018 -0500 @@ -0,0 +1,234 @@ +import imblearn +import json +import numpy as np +import os +import pandas +import pickle +import skrebate +import sklearn +import sys +import xgboost +import warnings +from imblearn import under_sampling, over_sampling, combine +from imblearn.pipeline import Pipeline as imbPipeline +from sklearn import (cluster, compose, decomposition, ensemble, feature_extraction, + feature_selection, gaussian_process, kernel_approximation, metrics, + model_selection, naive_bayes, neighbors, pipeline, preprocessing, + svm, linear_model, tree, discriminant_analysis) +from sklearn.exceptions import FitFailedWarning +from sklearn.externals import joblib +from utils import get_cv, get_scoring, get_X_y, load_model, read_columns, SafeEval + + +N_JOBS = int(os.environ.get('GALAXY_SLOTS', 1)) + + +def get_search_params(params_builder): + search_params = {} + safe_eval = SafeEval(load_scipy=True, load_numpy=True) + safe_eval_es = SafeEval(load_estimators=True) + + for p in params_builder['param_set']: + search_p = p['search_param_selector']['search_p'] + if search_p.strip() == '': + continue + param_type = p['search_param_selector']['selected_param_type'] + + lst = search_p.split(':') + assert (len(lst) == 2), "Error, make sure there is one and only one colon in search parameter input." + literal = lst[1].strip() + param_name = lst[0].strip() + if param_name: + if param_name.lower() == 'n_jobs': + sys.exit("Parameter `%s` is invalid for search." %param_name) + elif not param_name.endswith('-'): + ev = safe_eval(literal) + if param_type == 'final_estimator_p': + search_params['estimator__' + param_name] = ev + else: + search_params['preprocessing_' + param_type[5:6] + '__' + param_name] = ev + else: + # only for estimator eval, add `-` to the end of param + #TODO maybe add regular express check + ev = safe_eval_es(literal) + for obj in ev: + if 'n_jobs' in obj.get_params(): + obj.set_params( n_jobs=N_JOBS ) + if param_type == 'final_estimator_p': + search_params['estimator__' + param_name[:-1]] = ev + else: + search_params['preprocessing_' + param_type[5:6] + '__' + param_name[:-1]] = ev + elif param_type != 'final_estimator_p': + #TODO regular express check ? + ev = safe_eval_es(literal) + preprocessors = [preprocessing.StandardScaler(), preprocessing.Binarizer(), preprocessing.Imputer(), + preprocessing.MaxAbsScaler(), preprocessing.Normalizer(), preprocessing.MinMaxScaler(), + preprocessing.PolynomialFeatures(),preprocessing.RobustScaler(), + feature_selection.SelectKBest(), feature_selection.GenericUnivariateSelect(), + feature_selection.SelectPercentile(), feature_selection.SelectFpr(), feature_selection.SelectFdr(), + feature_selection.SelectFwe(), feature_selection.VarianceThreshold(), + decomposition.FactorAnalysis(random_state=0), decomposition.FastICA(random_state=0), decomposition.IncrementalPCA(), + decomposition.KernelPCA(random_state=0, n_jobs=N_JOBS), decomposition.LatentDirichletAllocation(random_state=0, n_jobs=N_JOBS), + decomposition.MiniBatchDictionaryLearning(random_state=0, n_jobs=N_JOBS), + decomposition.MiniBatchSparsePCA(random_state=0, n_jobs=N_JOBS), decomposition.NMF(random_state=0), + decomposition.PCA(random_state=0), decomposition.SparsePCA(random_state=0, n_jobs=N_JOBS), + decomposition.TruncatedSVD(random_state=0), + kernel_approximation.Nystroem(random_state=0), kernel_approximation.RBFSampler(random_state=0), + kernel_approximation.AdditiveChi2Sampler(), kernel_approximation.SkewedChi2Sampler(random_state=0), + cluster.FeatureAgglomeration(), + skrebate.ReliefF(n_jobs=N_JOBS), skrebate.SURF(n_jobs=N_JOBS), skrebate.SURFstar(n_jobs=N_JOBS), + skrebate.MultiSURF(n_jobs=N_JOBS), skrebate.MultiSURFstar(n_jobs=N_JOBS), + imblearn.under_sampling.ClusterCentroids(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.CondensedNearestNeighbour(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.EditedNearestNeighbours(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.RepeatedEditedNearestNeighbours(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.AllKNN(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.InstanceHardnessThreshold(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.NearMiss(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.NeighbourhoodCleaningRule(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.OneSidedSelection(random_state=0, n_jobs=N_JOBS), + imblearn.under_sampling.RandomUnderSampler(random_state=0), + imblearn.under_sampling.TomekLinks(random_state=0, n_jobs=N_JOBS), + imblearn.over_sampling.ADASYN(random_state=0, n_jobs=N_JOBS), + imblearn.over_sampling.RandomOverSampler(random_state=0), + imblearn.over_sampling.SMOTE(random_state=0, n_jobs=N_JOBS), + imblearn.over_sampling.SVMSMOTE(random_state=0, n_jobs=N_JOBS), + imblearn.over_sampling.BorderlineSMOTE(random_state=0, n_jobs=N_JOBS), + imblearn.over_sampling.SMOTENC(categorical_features=[], random_state=0, n_jobs=N_JOBS), + imblearn.combine.SMOTEENN(random_state=0), imblearn.combine.SMOTETomek(random_state=0)] + newlist = [] + for obj in ev: + if obj is None: + newlist.append(None) + elif obj == 'all_0': + newlist.extend(preprocessors[0:36]) + elif obj == 'sk_prep_all': # no KernalCenter() + newlist.extend(preprocessors[0:8]) + elif obj == 'fs_all': + newlist.extend(preprocessors[8:15]) + elif obj == 'decomp_all': + newlist.extend(preprocessors[15:26]) + elif obj == 'k_appr_all': + newlist.extend(preprocessors[26:30]) + elif obj == 'reb_all': + newlist.extend(preprocessors[31:36]) + elif obj == 'imb_all': + newlist.extend(preprocessors[36:55]) + elif type(obj) is int and -1 < obj < len(preprocessors): + newlist.append(preprocessors[obj]) + elif hasattr(obj, 'get_params'): # user object + if 'n_jobs' in obj.get_params(): + newlist.append( obj.set_params(n_jobs=N_JOBS) ) + else: + newlist.append(obj) + else: + sys.exit("Unsupported preprocessor type: %r" %(obj)) + search_params['preprocessing_' + param_type[5:6]] = newlist + else: + sys.exit("Parameter name of the final estimator can't be skipped!") + + return search_params + + +if __name__ == '__main__': + + warnings.simplefilter('ignore') + + input_json_path = sys.argv[1] + with open(input_json_path, 'r') as param_handler: + params = json.load(param_handler) + + infile_pipeline = sys.argv[2] + infile1 = sys.argv[3] + infile2 = sys.argv[4] + outfile_result = sys.argv[5] + if len(sys.argv) > 6: + outfile_estimator = sys.argv[6] + else: + outfile_estimator = None + + params_builder = params['search_schemes']['search_params_builder'] + + input_type = params['input_options']['selected_input'] + if input_type == 'tabular': + header = 'infer' if params['input_options']['header1'] else None + column_option = params['input_options']['column_selector_options_1']['selected_column_selector_option'] + if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['input_options']['column_selector_options_1']['col1'] + else: + c = None + X = read_columns( + infile1, + c = c, + c_option = column_option, + sep='\t', + header=header, + parse_dates=True + ) + else: + X = mmread(open(infile1, 'r')) + + header = 'infer' if params['input_options']['header2'] else None + column_option = params['input_options']['column_selector_options_2']['selected_column_selector_option2'] + if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['input_options']['column_selector_options_2']['col2'] + else: + c = None + y = read_columns( + infile2, + c = c, + c_option = column_option, + sep='\t', + header=header, + parse_dates=True + ) + y = y.ravel() + + optimizer = params['search_schemes']['selected_search_scheme'] + optimizer = getattr(model_selection, optimizer) + + options = params['search_schemes']['options'] + splitter, groups = get_cv(options.pop('cv_selector')) + if groups is None: + options['cv'] = splitter + elif groups == '': + options['cv'] = list( splitter.split(X, y, groups=None) ) + else: + options['cv'] = list( splitter.split(X, y, groups=groups) ) + options['n_jobs'] = N_JOBS + primary_scoring = options['scoring']['primary_scoring'] + options['scoring'] = get_scoring(options['scoring']) + if options['error_score']: + options['error_score'] = 'raise' + else: + options['error_score'] = np.NaN + if options['refit'] and isinstance(options['scoring'], dict): + options['refit'] = 'primary' + if 'pre_dispatch' in options and options['pre_dispatch'] == '': + options['pre_dispatch'] = None + + with open(infile_pipeline, 'rb') as pipeline_handler: + pipeline = load_model(pipeline_handler) + + search_params = get_search_params(params_builder) + searcher = optimizer(pipeline, search_params, **options) + + if options['error_score'] == 'raise': + searcher.fit(X, y) + else: + warnings.simplefilter('always', FitFailedWarning) + with warnings.catch_warnings(record=True) as w: + try: + searcher.fit(X, y) + except ValueError: + pass + for warning in w: + print(repr(warning.message)) + + cv_result = pandas.DataFrame(searcher.cv_results_) + cv_result.rename(inplace=True, columns={'mean_test_primary': 'mean_test_'+primary_scoring, 'rank_test_primary': 'rank_test_'+primary_scoring}) + cv_result.to_csv(path_or_buf=outfile_result, sep='\t', header=True, index=False) + + if outfile_estimator: + with open(outfile_estimator, 'wb') as output_handler: + pickle.dump(searcher.best_estimator_, output_handler, pickle.HIGHEST_PROTOCOL) diff -r 33d2606fdb3f -r 86e1e2874460 sk_whitelist.json --- a/sk_whitelist.json Thu Oct 11 03:38:11 2018 -0400 +++ b/sk_whitelist.json Sun Dec 30 02:02:32 2018 -0500 @@ -48,7 +48,10 @@ "sklearn.cluster.mean_shift_.get_bin_seeds", "sklearn.cluster.mean_shift_.mean_shift", "sklearn.cluster.spectral.SpectralClustering", "sklearn.cluster.spectral.discretize", "sklearn.cluster.spectral.spectral_clustering", "sklearn.cluster.spectral_clustering", - "sklearn.cluster.ward_tree", "sklearn.config_context", + "sklearn.cluster.ward_tree", "sklearn.config_context", "sklearn.compose.TransformedTargetRegressor", + "sklearn.compose._target.TransformedTargetRegressor", "sklearn.compose.ColumnTransformer", + "sklearn.compose._column_transformer.ColumnTransformer", "sklearn.compose.make_column_transformer", + "sklearn.compose._column_transformer.make_column_transformer", "sklearn.covariance.EllipticEnvelope", "sklearn.covariance.EmpiricalCovariance", "sklearn.covariance.GraphLasso", "sklearn.covariance.GraphLassoCV", "sklearn.covariance.LedoitWolf", "sklearn.covariance.MinCovDet", @@ -749,5 +752,10 @@ "numpy.core.multiarray._reconstruct", "numpy.ndarray", "numpy.dtype", "numpy.core.multiarray.scalar", "numpy.random.__RandomState_ctor" + ], + + "IMBLEARN_NAMES":[ + "imblearn.pipeline.Pipeline", "imblearn.over_sampling._random_over_sampler.RandomOverSampler", + "imblearn.under_sampling._prototype_selection._edited_nearest_neighbours.EditedNearestNeighbours" ] } \ No newline at end of file diff -r 33d2606fdb3f -r 86e1e2874460 test-data/abc_model01 Binary file test-data/abc_model01 has changed diff -r 33d2606fdb3f -r 86e1e2874460 test-data/abr_model01 Binary file test-data/abr_model01 has changed diff -r 33d2606fdb3f -r 86e1e2874460 test-data/blobs.txt --- a/test-data/blobs.txt Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/blobs.txt Sun Dec 30 02:02:32 2018 -0500 @@ -1,101 +1,101 @@ 0 1 0 -0.3368184589673989 -3.402879612990731 0 +0.33681845896740 -3.40287961299073 0 -9.48324265575857 -8.66266051536995 2 --1.9333632849607592 5.709539081468901 1 --10.031824059894126 -5.578343934583625 2 -0.5418607766170062 -4.3769362832693 0 --8.129629290673781 -7.05554320549807 2 --0.7308257856942714 7.323755516994815 1 --1.8414253200701474 6.206304668308321 1 -0.4100718503166844 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--- a/test-data/gbc_result01 Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/gbc_result01 Sun Dec 30 02:02:32 2018 -0500 @@ -1,6 +1,6 @@ 0 1 2 3 predicted -3.68258022948 2.82110345641 -3.990140724 -1.9523364774 1 -0.015942057224 -0.711958594347 0.125502976978 -0.972218263337 0 -2.08690768825 0.929399321468 -2.12924084484 -1.99714022188 1 -1.41321052084 0.523750660422 -1.4210539291 -1.49298569451 1 -0.76831404394 1.38267855169 -0.989045048734 0.649504257894 1 +3.68258022948 2.82110345641 -3.9901407239999998 -1.9523364774 1 +0.015942057224 -0.7119585943469999 0.125502976978 -0.972218263337 0 +2.0869076882499997 0.929399321468 -2.1292408448400004 -1.9971402218799998 1 +1.4132105208399999 0.523750660422 -1.4210539291 -1.49298569451 1 +0.7683140439399999 1.38267855169 -0.989045048734 0.649504257894 1 diff -r 33d2606fdb3f -r 86e1e2874460 test-data/gbr_model01 Binary file test-data/gbr_model01 has changed diff -r 33d2606fdb3f -r 86e1e2874460 test-data/gbr_prediction_result01.tabular --- 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file test-data/rfr_model01 has changed diff -r 33d2606fdb3f -r 86e1e2874460 test-data/rfr_result01 --- a/test-data/rfr_result01 Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/rfr_result01 Sun Dec 30 02:02:32 2018 -0500 @@ -1,5 +1,6 @@ -86.9702122735 1.00532111569 -1.01739601979 -0.613139481654 0.641846874331 predicted -91.2021798817 -0.6215229712070001 1.11914889596 0.390012184498 1.28956938152 0.8511213285107001 --47.4101632272 -0.638416457964 -0.7327774684530001 -0.8640261049779999 -1.06109770116 0.05344095304070007 -61.712804630200004 -1.0999480057700002 -0.739679672932 0.585657963012 1.4890682753600002 1.1892759745694002 --206.998295124 0.130238853011 0.70574123041 1.3320656526399999 -1.3322092373799999 -0.35023626536690006 +0 1 2 3 4 predicted +86.97021227350001 1.00532111569 -1.01739601979 -0.613139481654 0.641846874331 0.6686209127804698 +91.2021798817 -0.6215229712070001 1.11914889596 0.390012184498 1.28956938152 1.0374491367850487 +-47.4101632272 -0.638416457964 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test-data/searchCV02 has changed diff -r 33d2606fdb3f -r 86e1e2874460 test-data/sparse_u.txt --- a/test-data/sparse_u.txt Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/sparse_u.txt Sun Dec 30 02:02:32 2018 -0500 @@ -1,101 +1,101 @@ 0 1 2 3 4 5 6 7 8 9 0 --1.7497654730546974 0.34268040332750216 1.153035802563644 -0.25243603652138985 0.9813207869512316 0.5142188413943821 0.22117966922140045 -1.0700433305682933 -0.18949583082317534 0.25500144427338167 -3.2026895707176237 --0.4580269855026243 0.43516348812289213 -0.5835950503226648 0.816847071685779 0.672720805709661 -0.10441114339062771 -0.5312803768519098 1.0297326851333461 -0.43813562270441736 -1.1183182462554362 -0.3226956819689937 -1.6189816606752596 1.5416051745134067 -0.251879139213213 -0.8424357382512976 0.18451869056394285 0.9370822011089522 0.7310003438348087 1.361556125145331 -0.32623805920230253 0.055676014854776905 6.6047216717528965 -0.22239960855530486 -1.4432169952253369 -0.7563523055944354 0.8164540110192858 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-r 86e1e2874460 test-data/svc_prediction_result03.tabular --- a/test-data/svc_prediction_result03.tabular Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/svc_prediction_result03.tabular Sun Dec 30 02:02:32 2018 -0500 @@ -25,7 +25,7 @@ 1 -50 97 45 2 1 -61 111 45 2 2 -109 23 -92 2 -2 -94 20 -96 3 +2 -94 20 -96 1 2 -85 26 -88 2 2 -90 33 -114 0 2 -63 9 -106 0 @@ -33,7 +33,7 @@ 2 -99 26 -108 1 2 -81 19 -110 0 2 -108 21 -108 1 -2 -92 27 -106 0 +2 -92 27 -106 1 2 -88 2 -106 3 2 -88 15 -103 3 3 54 -74 4 3 diff -r 33d2606fdb3f -r 86e1e2874460 test-data/swiss_r.txt --- a/test-data/swiss_r.txt Thu Oct 11 03:38:11 2018 -0400 +++ b/test-data/swiss_r.txt Sun Dec 30 02:02:32 2018 -0500 @@ -1,101 +1,101 @@ 0 1 2 0 --9.022432560391366 16.34407352444682 -3.911586790185589 9.833859899549347 -3.6324989224084425 16.371566370825743 6.373479468911753 7.335958625969624 --6.5999037486787 12.81689121739727 5.688948917237484 8.713373013636033 -12.600582699437291 6.489007319012446 1.3642134579818455 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20.02989941752092 7.51375887065696 7.65895436945237 +-8.28803153159531 10.30048008956189 3.55761030474492 9.01931581380457 +-0.79470794357540 13.27603335308786 -10.89380414305644 10.92275283172038 +4.82092592045283 15.39289541659784 5.22421533655818 7.10870963067305 +-2.56630792573832 18.95059956820729 -10.44394771632344 10.75462599400857 +6.27317580578337 3.40718529371220 2.04636103864001 6.59850954312636 +-0.92862878529940 8.52350776971879 -10.87076506408071 10.91035675398950 diff -r 33d2606fdb3f -r 86e1e2874460 utils.py --- a/utils.py Thu Oct 11 03:38:11 2018 -0400 +++ b/utils.py Sun Dec 30 02:02:32 2018 -0500 @@ -1,21 +1,34 @@ -import sys +import json +import numpy as np import os import pandas +import pickle import re -import pickle -import warnings -import numpy as np -import xgboost import scipy import sklearn +import sys +import warnings +import xgboost + from asteval import Interpreter, make_symbol_table -from sklearn import (cluster, decomposition, ensemble, feature_extraction, feature_selection, - gaussian_process, kernel_approximation, metrics, +from sklearn import (cluster, compose, decomposition, ensemble, feature_extraction, + feature_selection, gaussian_process, kernel_approximation, metrics, model_selection, naive_bayes, neighbors, pipeline, preprocessing, svm, linear_model, tree, discriminant_analysis) +try: + import skrebate +except ModuleNotFoundError: + pass + + N_JOBS = int(os.environ.get('GALAXY_SLOTS', 1)) +try: + sk_whitelist +except NameError: + sk_whitelist = None + class SafePickler(pickle.Unpickler): """ @@ -25,6 +38,13 @@ """ def find_class(self, module, name): + # sk_whitelist could be read from tool + global sk_whitelist + if not sk_whitelist: + whitelist_file = os.path.join(os.path.dirname(__file__), 'sk_whitelist.json') + with open(whitelist_file, 'r') as f: + sk_whitelist = json.load(f) + bad_names = ('and', 'as', 'assert', 'break', 'class', 'continue', 'def', 'del', 'elif', 'else', 'except', 'exec', 'finally', 'for', 'from', 'global', 'if', 'import', @@ -46,13 +66,14 @@ or ( ( module.startswith('sklearn.') or module.startswith('xgboost.') or module.startswith('skrebate.') + or module.startswith('imblearn') or module.startswith('numpy.') or module == 'numpy' ) and (name not in bad_names) ): # TODO: replace with a whitelist checker - if fullname not in sk_whitelist['SK_NAMES'] + sk_whitelist['SKR_NAMES'] + sk_whitelist['XGB_NAMES'] + sk_whitelist['NUMPY_NAMES'] + good_names: + if fullname not in sk_whitelist['SK_NAMES'] + sk_whitelist['SKR_NAMES'] + sk_whitelist['XGB_NAMES'] + sk_whitelist['NUMPY_NAMES'] + sk_whitelist['IMBLEARN_NAMES'] + good_names: print("Warning: global %s is not in pickler whitelist yet and will loss support soon. Contact tool author or leave a message at github.com" % fullname) mod = sys.modules[module] return getattr(mod, name) @@ -83,44 +104,56 @@ return y, data else: return y - return y ## generate an instance for one of sklearn.feature_selection classes def feature_selector(inputs): - selector = inputs["selected_algorithm"] + selector = inputs['selected_algorithm'] selector = getattr(sklearn.feature_selection, selector) - options = inputs["options"] + options = inputs['options'] if inputs['selected_algorithm'] == 'SelectFromModel': if not options['threshold'] or options['threshold'] == 'None': options['threshold'] = None + else: + try: + options['threshold'] = float(options['threshold']) + except ValueError: + pass if inputs['model_inputter']['input_mode'] == 'prefitted': model_file = inputs['model_inputter']['fitted_estimator'] with open(model_file, 'rb') as model_handler: fitted_estimator = load_model(model_handler) new_selector = selector(fitted_estimator, prefit=True, **options) else: - estimator_json = inputs['model_inputter']["estimator_selector"] + estimator_json = inputs['model_inputter']['estimator_selector'] estimator = get_estimator(estimator_json) new_selector = selector(estimator, **options) elif inputs['selected_algorithm'] == 'RFE': - estimator = get_estimator(inputs["estimator_selector"]) + estimator = get_estimator(inputs['estimator_selector']) + step = options.get('step', None) + if step and step >= 1.0: + options['step'] = int(step) new_selector = selector(estimator, **options) elif inputs['selected_algorithm'] == 'RFECV': options['scoring'] = get_scoring(options['scoring']) options['n_jobs'] = N_JOBS - options['cv'] = get_cv(options['cv'].strip()) - estimator = get_estimator(inputs["estimator_selector"]) + splitter, groups = get_cv(options.pop('cv_selector')) + # TODO support group cv splitters + options['cv'] = splitter + step = options.get('step', None) + if step and step >= 1.0: + options['step'] = int(step) + estimator = get_estimator(inputs['estimator_selector']) new_selector = selector(estimator, **options) - elif inputs['selected_algorithm'] == "VarianceThreshold": + elif inputs['selected_algorithm'] == 'VarianceThreshold': new_selector = selector(**options) else: - score_func = inputs["score_func"] + score_func = inputs['score_func'] score_func = getattr(sklearn.feature_selection, score_func) new_selector = selector(score_func, **options) @@ -128,12 +161,12 @@ def get_X_y(params, file1, file2): - input_type = params["selected_tasks"]["selected_algorithms"]["input_options"]["selected_input"] - if input_type == "tabular": - header = 'infer' if params["selected_tasks"]["selected_algorithms"]["input_options"]["header1"] else None - column_option = params["selected_tasks"]["selected_algorithms"]["input_options"]["column_selector_options_1"]["selected_column_selector_option"] - if column_option in ["by_index_number", "all_but_by_index_number", "by_header_name", "all_but_by_header_name"]: - c = params["selected_tasks"]["selected_algorithms"]["input_options"]["column_selector_options_1"]["col1"] + input_type = params['selected_tasks']['selected_algorithms']['input_options']['selected_input'] + if input_type == 'tabular': + header = 'infer' if params['selected_tasks']['selected_algorithms']['input_options']['header1'] else None + column_option = params['selected_tasks']['selected_algorithms']['input_options']['column_selector_options_1']['selected_column_selector_option'] + if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['selected_tasks']['selected_algorithms']['input_options']['column_selector_options_1']['col1'] else: c = None X = read_columns( @@ -147,10 +180,10 @@ else: X = mmread(file1) - header = 'infer' if params["selected_tasks"]["selected_algorithms"]["input_options"]["header2"] else None - column_option = params["selected_tasks"]["selected_algorithms"]["input_options"]["column_selector_options_2"]["selected_column_selector_option2"] - if column_option in ["by_index_number", "all_but_by_index_number", "by_header_name", "all_but_by_header_name"]: - c = params["selected_tasks"]["selected_algorithms"]["input_options"]["column_selector_options_2"]["col2"] + header = 'infer' if params['selected_tasks']['selected_algorithms']['input_options']['header2'] else None + column_option = params['selected_tasks']['selected_algorithms']['input_options']['column_selector_options_2']['selected_column_selector_option2'] + if column_option in ['by_index_number', 'all_but_by_index_number', 'by_header_name', 'all_but_by_header_name']: + c = params['selected_tasks']['selected_algorithms']['input_options']['column_selector_options_2']['col2'] else: c = None y = read_columns( @@ -167,7 +200,7 @@ class SafeEval(Interpreter): - def __init__(self, load_scipy=False, load_numpy=False): + def __init__(self, load_scipy=False, load_numpy=False, load_estimators=False): # File opening and other unneeded functions could be dropped unwanted = ['open', 'type', 'dir', 'id', 'str', 'repr'] @@ -199,6 +232,30 @@ for f in from_numpy_random: syms['np_random_' + f] = getattr(np.random, f) + if load_estimators: + estimator_table = { + 'sklearn_svm' : getattr(sklearn, 'svm'), + 'sklearn_tree' : getattr(sklearn, 'tree'), + 'sklearn_ensemble' : getattr(sklearn, 'ensemble'), + 'sklearn_neighbors' : getattr(sklearn, 'neighbors'), + 'sklearn_naive_bayes' : getattr(sklearn, 'naive_bayes'), + 'sklearn_linear_model' : getattr(sklearn, 'linear_model'), + 'sklearn_cluster' : getattr(sklearn, 'cluster'), + 'sklearn_decomposition' : getattr(sklearn, 'decomposition'), + 'sklearn_preprocessing' : getattr(sklearn, 'preprocessing'), + 'sklearn_feature_selection' : getattr(sklearn, 'feature_selection'), + 'sklearn_kernel_approximation' : getattr(sklearn, 'kernel_approximation'), + 'skrebate_ReliefF': getattr(skrebate, 'ReliefF'), + 'skrebate_SURF': getattr(skrebate, 'SURF'), + 'skrebate_SURFstar': getattr(skrebate, 'SURFstar'), + 'skrebate_MultiSURF': getattr(skrebate, 'MultiSURF'), + 'skrebate_MultiSURFstar': getattr(skrebate, 'MultiSURFstar'), + 'skrebate_TuRF': getattr(skrebate, 'TuRF'), + 'xgboost_XGBClassifier' : getattr(xgboost, 'XGBClassifier'), + 'xgboost_XGBRegressor' : getattr(xgboost, 'XGBRegressor') + } + syms.update(estimator_table) + for key in unwanted: syms.pop(key, None) @@ -209,33 +266,20 @@ no_raise=True, no_print=True) -def get_search_params(params_builder): - search_params = {} - safe_eval = SafeEval(load_scipy=True, load_numpy=True) - - for p in params_builder['param_set']: - search_p = p['search_param_selector']['search_p'] - if search_p.strip() == '': - continue - param_type = p['search_param_selector']['selected_param_type'] - - lst = search_p.split(":") - assert (len(lst) == 2), "Error, make sure there is one and only one colon in search parameter input." - literal = lst[1].strip() - ev = safe_eval(literal) - if param_type == "final_estimator_p": - search_params["estimator__" + lst[0].strip()] = ev - else: - search_params["preprocessing_" + param_type[5:6] + "__" + lst[0].strip()] = ev - - return search_params - def get_estimator(estimator_json): + estimator_module = estimator_json['selected_module'] + + if estimator_module == 'customer_estimator': + c_estimator = estimator_json['c_estimator'] + with open(c_estimator, 'rb') as model_handler: + new_model = load_model(model_handler) + return new_model + estimator_cls = estimator_json['selected_estimator'] - if estimator_module == "xgboost": + if estimator_module == 'xgboost': cls = getattr(xgboost, estimator_cls) else: module = getattr(sklearn, estimator_module) @@ -244,7 +288,7 @@ estimator = cls() estimator_params = estimator_json['text_params'].strip() - if estimator_params != "": + if estimator_params != '': try: params = safe_eval('dict(' + estimator_params + ')') except ValueError: @@ -256,32 +300,68 @@ return estimator -def get_cv(literal): - safe_eval = SafeEval() - if literal == "": - return None - if literal.isdigit(): - return int(literal) - m = re.match(r'^(?P\w+)\((?P.*)\)$', literal) - if m: - my_class = getattr(model_selection, m.group('method')) - args = safe_eval('dict('+ m.group('args') + ')') - return my_class(**args) - sys.exit("Unsupported CV input: %s" % literal) +def get_cv(cv_json): + """ + cv_json: + e.g.: + { + 'selected_cv': 'StratifiedKFold', + 'n_splits': 3, + 'shuffle': True, + 'random_state': 0 + } + """ + cv = cv_json.pop('selected_cv') + if cv == 'default': + return cv_json['n_splits'], None + + groups = cv_json.pop('groups', None) + if groups: + groups = groups.strip() + if groups != '': + if groups.startswith('__ob__'): + groups = groups[6:] + if groups.endswith('__cb__'): + groups = groups[:-6] + groups = [int(x.strip()) for x in groups.split(',')] + + for k, v in cv_json.items(): + if v == '': + cv_json[k] = None + + test_fold = cv_json.get('test_fold', None) + if test_fold: + if test_fold.startswith('__ob__'): + test_fold = test_fold[6:] + if test_fold.endswith('__cb__'): + test_fold = test_fold[:-6] + cv_json['test_fold'] = [int(x.strip()) for x in test_fold.split(',')] + + test_size = cv_json.get('test_size', None) + if test_size and test_size > 1.0: + cv_json['test_size'] = int(test_size) + + cv_class = getattr(model_selection, cv) + splitter = cv_class(**cv_json) + + return splitter, groups + + +# needed when sklearn < v0.20 +def balanced_accuracy_score(y_true, y_pred): + C = metrics.confusion_matrix(y_true, y_pred) + with np.errstate(divide='ignore', invalid='ignore'): + per_class = np.diag(C) / C.sum(axis=1) + if np.any(np.isnan(per_class)): + warnings.warn('y_pred contains classes not in y_true') + per_class = per_class[~np.isnan(per_class)] + score = np.mean(per_class) + return score def get_scoring(scoring_json): - def balanced_accuracy_score(y_true, y_pred): - C = metrics.confusion_matrix(y_true, y_pred) - with np.errstate(divide='ignore', invalid='ignore'): - per_class = np.diag(C) / C.sum(axis=1) - if np.any(np.isnan(per_class)): - warnings.warn('y_pred contains classes not in y_true') - per_class = per_class[~np.isnan(per_class)] - score = np.mean(per_class) - return score - if scoring_json['primary_scoring'] == "default": + if scoring_json['primary_scoring'] == 'default': return None my_scorers = metrics.SCORERS