Mercurial > repos > bgruening > sklearn_sample_generator
changeset 23:4ba68dd788b3 draft
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/sklearn commit 57f4407e278a615f47a377a3328782b1d8e0b54d
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--- a/main_macros.xml Thu Oct 11 03:31:19 2018 -0400 +++ b/main_macros.xml Sun Dec 30 01:52:56 2018 -0500 @@ -1,13 +1,13 @@ <macros> - <token name="@VERSION@">0.9</token> + <token name="@VERSION@">1.0</token> <xml name="python_requirements"> <requirements> <requirement type="package" version="3.6">python</requirement> - <requirement type="package" version="0.19.1">scikit-learn</requirement> - <requirement type="package" version="0.22.0">pandas</requirement> - <requirement type="package" version="0.72.1">xgboost</requirement> - <requirement type="package" version="0.9.12">asteval</requirement> + <requirement type="package" version="0.20.2">scikit-learn</requirement> + <requirement type="package" version="0.23.4">pandas</requirement> + <requirement type="package" version="0.80">xgboost</requirement> + <requirement type="package" version="0.9.13">asteval</requirement> <yield /> </requirements> </xml> @@ -244,7 +244,7 @@ <param argument="shuffle" type="boolean" optional="true" truevalue="booltrue" falsevalue="boolfalse" checked="@CHECKED@" label="@LABEL@" help="@HELP_TEXT@"/> </xml> - <xml name="random_state" token_default_value="" token_help_text="Integer number. The seed of the pseudo random number generator to use when shuffling the data. A fixed seed allows reproducible results."> + <xml name="random_state" token_default_value="" token_help_text="Integer number. The seed of the pseudo random number generator to use when shuffling the data. A fixed seed allows reproducible results. default=None."> <param argument="random_state" type="integer" optional="true" value="@DEFAULT_VALUE@" label="Random seed number" help="@HELP_TEXT@"/> </xml> @@ -346,20 +346,20 @@ <xml name="samples_column_selector_options" token_column_option="selected_column_selector_option" token_col_name="col1" token_multiple="False" token_infile="infile1"> <param name="@COLUMN_OPTION@" type="select" label="Choose how to select data by column:"> <option value="by_index_number" selected="true">Select columns by column index number(s)</option> + <option value="all_but_by_index_number">All columns BUT by column index number(s)</option> <option value="by_header_name">Select columns by column header name(s)</option> - <option value="all_but_by_index_number">All columns but by column index number(s)</option> - <option value="all_but_by_header_name">All columns but by column header name(s)</option> + <option value="all_but_by_header_name">All columns BUT by column header name(s)</option> <option value="all_columns">All columns</option> </param> <when value="by_index_number"> <param name="@COL_NAME@" multiple="@MULTIPLE@" type="data_column" data_ref="@INFILE@" label="Select target column(s):"/> </when> + <when value="all_but_by_index_number"> + <param name="@COL_NAME@" multiple="@MULTIPLE@" type="data_column" data_ref="@INFILE@" label="Select target column(s):"/> + </when> <when value="by_header_name"> <param name="@COL_NAME@" type="text" value="" label="Type header name(s):" help="Comma-separated string. For example: target1,target2"/> </when> - <when value="all_but_by_index_number"> - <param name="@COL_NAME@" multiple="@MULTIPLE@" type="data_column" data_ref="@INFILE@" label="Select target column(s):"/> - </when> <when value="all_but_by_header_name"> <param name="@COL_NAME@" type="text" value="" label="Type header name(s):" help="Comma-separated string. For example: target1,target2"/> </when> @@ -543,9 +543,18 @@ <!--param argument="precompute_distances"/--> <expand macro="random_state"/> <param argument="copy_x" type="boolean" optional="true" truevalue="booltrue" falsevalue="boolfalse" checked="true" label="Use a copy of data for precomputing distances" help="Mofifying the original data introduces small numerical differences caused by subtracting and then adding the data mean."/> + <expand macro="kmeans_algorithm"/> </section> </xml> + <xml name="kmeans_algorithm"> + <param argument="algorithm" type="select" label="K-means algorithm to use:"> + <option value="auto" selected="true">auto</option> + <option value="full">full</option> + <option value="elkan">elkan</option> + </param> + </xml> + <xml name="birch_advanced_options"> <section name="options" title="Advanced Options" expanded="False"> <param argument="threshold" type="float" optional="true" value="0.5" label="Subcluster radius threshold" help="The radius of the subcluster obtained by merging a new sample; the closest subcluster should be less than the threshold to avoid a new subcluster."/> @@ -730,8 +739,8 @@ </param> <param argument="missing_values" type="text" optional="true" value="NaN" label="Placeholder for missing values" help="For missing values encoded as numpy.nan, use the string value “NaN”"/> - <param argument="axis" type="boolean" optional="true" truevalue="1" falsevalue="0" - label="Impute along axis = 1" help="If fasle, axis = 0 is selected for imputation. "/> + <!--param argument="axis" type="boolean" optional="true" truevalue="1" falsevalue="0" + label="Impute along axis = 1" help="If fasle, axis = 0 is selected for imputation. "/> --> <!--param argument="axis" type="select" optional="true" label="The axis along which to impute" help=" "> <option value="0" selected="true">Impute along columns</option> <option value="1">Impute along rows</option> @@ -802,136 +811,285 @@ </expand> </xml> - <xml name="fs_selectfrommodel_prefitted"> - <param name="input_mode" type="select" label="Construct a new estimator from a selection list?" > - <option value="new" selected="true">Yes</option> - <option value="prefitted">No. Load a prefitted estimator</option> - </param> - <when value="new"> - <expand macro="estimator_selector_all"/> - </when> - <when value="prefitted"> - <param name="fitted_estimator" type="data" format='zip' label="Load a prefitted estimator" /> - </when> + <xml name="cv_splitter"> + <option value="default" selected="true">default splitter</option> + <option value="KFold">KFold</option> + <option value="StratifiedKFold">StratifiedKFold</option> + <option value="LeaveOneOut">LeaveOneOut</option> + <option value="LeavePOut">LeavePOut</option> + <option value="RepeatedKFold">RepeatedKFold</option> + <option value="RepeatedStratifiedKFold">RepeatedStratifiedKFold</option> + <option value="ShuffleSplit">ShuffleSplit</option> + <option value="StratifiedShuffleSplit">StratifiedShuffleSplit</option> + <option value="TimeSeriesSplit">TimeSeriesSplit</option> + <option value="PredefinedSplit">PredefinedSplit</option> + <yield/> </xml> - <xml name="fs_selectfrommodel_no_prefitted"> - <param name="input_mode" type="select" label="Construct a new estimator from a selection list?" > - <option value="new" selected="true">Yes</option> - </param> - <when value="new"> - <expand macro="estimator_selector_all"/> + <xml name="cv_splitter_options"> + <when value="default"> + <expand macro="cv_n_splits"/> + </when> + <when value="KFold"> + <expand macro="cv_n_splits"/> + <expand macro="cv_shuffle"/> + <expand macro="random_state"/> + </when> + <when value="StratifiedKFold"> + <expand macro="cv_n_splits"/> + <expand macro="cv_shuffle"/> + <expand macro="random_state"/> + </when> + <when value="LeaveOneOut"> + </when> + <when value="LeavePOut"> + <param argument="p" type="integer" value="" label="p" help="Integer. Size of the test sets."/> + </when> + <when value="RepeatedKFold"> + <expand macro="cv_n_splits" value="5"/> + <param argument="n_repeats" type="integer" value="10" label="n_repeats" help="Number of times cross-validator needs to be repeated." /> + <expand macro="random_state" /> </when> + <when value="RepeatedStratifiedKFold"> + <expand macro="cv_n_splits" value="5"/> + <param argument="n_repeats" type="integer" value="10" label="n_repeats" help="Number of times cross-validator needs to be repeated." /> + <expand macro="random_state" /> + </when> + <when value="ShuffleSplit"> + <expand macro="cv_n_splits" value="10" help="Number of re-shuffling and splitting iterations."/> + <expand macro="cv_test_size" value="0.1" /> + <expand macro="random_state"/> + </when> + <when value="StratifiedShuffleSplit"> + <expand macro="cv_n_splits" value="10" help="Number of re-shuffling and splitting iterations."/> + <expand macro="cv_test_size" value="0.1" /> + <expand macro="random_state"/> + </when> + <when value="TimeSeriesSplit"> + <expand macro="cv_n_splits"/> + <param argument="max_train_size" type="integer" value="" optional="true" label="Maximum size of the training set" help="Maximum size for a single training set." /> + </when> + <when value="PredefinedSplit"> + <param argument="test_fold" type="text" value="" area="true" label="test_fold" help="List, e.g., [0, 1, -1, 1], represents two test sets, [X[0]] and [X[1], X[3]], X[2] is excluded from any test set due to '-1'."/> + </when> + <yield/> </xml> <xml name="cv"> - <param argument="cv" type="text" value="" optional="true" label="cv" help="Optional. Integer or evalable splitter object, e.g., StratifiedKFold(n_splits=3, shuffle=True, random_state=10). Leave blank for default." > - <sanitizer> - <valid initial="default"> - <add value="'"/> - </valid> - </sanitizer> - </param> + <conditional name="cv_selector"> + <param name="selected_cv" type="select" label="Select the cv splitter:"> + <expand macro="cv_splitter"> + <option value="GroupKFold">GroupKFold</option> + <option value="GroupShuffleSplit">GroupShuffleSplit</option> + <option value="LeaveOneGroupOut">LeaveOneGroupOut</option> + <option value="LeavePGroupsOut">LeavePGroupsOut</option> + </expand> + </param> + <expand macro="cv_splitter_options"> + <when value="GroupKFold"> + <expand macro="cv_n_splits"/> + <expand macro="cv_groups" /> + </when> + <when value="GroupShuffleSplit"> + <expand macro="cv_n_splits" value="5"/> + <expand macro="cv_test_size"/> + <expand macro="random_state"/> + <expand macro="cv_groups"/> + </when> + <when value="LeaveOneGroupOut"> + <expand macro="cv_groups"/> + </when> + <when value="LeavePGroupsOut"> + <param argument="n_groups" type="integer" value="" label="n_groups" help="Number of groups (p) to leave out in the test split." /> + <expand macro="cv_groups"/> + </when> + </expand> + </conditional> + </xml> + + <xml name="cv_reduced"> + <conditional name="cv_selector"> + <param name="selected_cv" type="select" label="Select the cv splitter:"> + <expand macro="cv_splitter"/> + </param> + <expand macro="cv_splitter_options"/> + </conditional> + </xml> + + <xml name="cv_n_splits" token_value="3" token_help="Number of folds. Must be at least 2."> + <param argument="n_splits" type="integer" value="@VALUE@" min="2" label="n_splits" help="@HELP@"/> + </xml> + + <xml name="cv_shuffle"> + <param argument="shuffle" type="boolean" optional="true" truevalue="booltrue" falsevalue="boolfalse" checked="false" label="Whether to shuffle data before splitting" /> + </xml> + + <xml name="cv_test_size" token_value="0.2"> + <param argument="test_size" type="float" value="@VALUE@" min="0.0" label="Portion or number of the test set" help="0.0-1.0, proportion of the dataset to include in the test split; >1, integer only, the absolute number of test samples "/> + </xml> + + <xml name="cv_groups" > + <param argument="groups" type="text" value="" area="true" label="Groups" help="Group lables in a list. e.g., [1, 1, 2, 2, 3, 3, 3]"/> + </xml> + + <xml name="feature_selection_algorithms"> + <option value="SelectKBest" selected="true">SelectKBest - Select features according to the k highest scores</option> + <option value="GenericUnivariateSelect">GenericUnivariateSelect - Univariate feature selector with configurable strategy</option> + <option value="SelectPercentile">SelectPercentile - Select features according to a percentile of the highest scores</option> + <option value="SelectFpr">SelectFpr - Filter: Select the p-values below alpha based on a FPR test</option> + <option value="SelectFdr">SelectFdr - Filter: Select the p-values for an estimated false discovery rate</option> + <option value="SelectFwe">SelectFwe - Filter: Select the p-values corresponding to Family-wise error rate</option> + <option value="VarianceThreshold">VarianceThreshold - Feature selector that removes all low-variance features</option> + <option value="SelectFromModel">SelectFromModel - Meta-transformer for selecting features based on importance weights</option> + <option value="RFE">RFE - Feature ranking with recursive feature elimination</option> + <option value="RFECV">RFECV - Feature ranking with recursive feature elimination and cross-validated selection of the best number of features</option> </xml> - <xml name="feature_selection_all"> + <xml name="feature_selection_algorithm_details"> + <when value="GenericUnivariateSelect"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="mode" type="select" label="Feature selection mode"> + <option value="percentile">percentile</option> + <option value="k_best">k_best</option> + <option value="fpr">fpr</option> + <option value="fdr">fdr</option> + <option value="fwe">fwe</option> + </param> + <param argument="param" type="float" value="" optional="true" label="Parameter of the corresponding mode" help="float or int depending on the feature selection mode" /> + </section> + </when> + <when value="SelectPercentile"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="percentile" type="integer" value="10" optional="True" label="Percent of features to keep" /> + </section> + </when> + <when value="SelectKBest"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="k" type="integer" value="10" optional="True" label="Number of top features to select" help="No 'all' option is supported." /> + </section> + </when> + <when value="SelectFpr"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest p-value for features to be kept."/> + </section> + </when> + <when value="SelectFdr"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest uncorrected p-value for features to keep."/> + </section> + </when> + <when value="SelectFwe"> + <expand macro="feature_selection_score_function" /> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest uncorrected p-value for features to keep."/> + </section> + </when> + <when value="VarianceThreshold"> + <section name="options" title="Options" expanded="False"> + <param argument="threshold" type="float" value="" optional="True" label="Threshold" help="Features with a training-set variance lower than this threshold will be removed."/> + </section> + </when> + </xml> + + <xml name="feature_selection_SelectFromModel"> + <when value="SelectFromModel"> + <conditional name="model_inputter"> + <param name="input_mode" type="select" label="Construct a new estimator from a selection list?" > + <option value="new" selected="true">Yes</option> + <option value="prefitted">No. Load a prefitted estimator</option> + </param> + <when value="new"> + <expand macro="estimator_selector_fs"/> + </when> + <when value="prefitted"> + <param name="fitted_estimator" type="data" format='zip' label="Load a prefitted estimator" /> + </when> + </conditional> + <expand macro="feature_selection_SelectFromModel_options"/> + </when> + </xml> + + <xml name="feature_selection_SelectFromModel_no_prefitted"> + <when value="SelectFromModel"> + <conditional name="model_inputter"> + <param name="input_mode" type="select" label="Construct a new estimator from a selection list?" > + <option value="new" selected="true">Yes</option> + </param> + <when value="new"> + <expand macro="estimator_selector_all"/> + </when> + </conditional> + <expand macro="feature_selection_SelectFromModel_options"/> + </when> + </xml> + + <xml name="feature_selection_SelectFromModel_options"> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="threshold" type="text" value="" optional="true" label="threshold" help="The threshold value to use for feature selection. e.g. 'mean', 'median', '1.25*mean'." /> + <param argument="norm_order" type="integer" value="1" label="norm_order" help="Order of the norm used to filter the vectors of coefficients below threshold in the case where the coef_ attribute of the estimator is of dimension 2. " /> + <param argument="max_features" type="integer" value="" optional="true" label="The maximum number of features selected scoring above threshold" help="To disable threshold and only select based on max_features, set threshold=-np.inf."/> + </section> + </xml> + + <xml name="feature_selection_RFE"> + <when value="RFE"> + <yield/> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="n_features_to_select" type="integer" value="" optional="true" label="n_features_to_select" help="The number of features to select. If None, half of the features are selected." /> + <param argument="step" type="float" value="1" label="step" optional="true" help="Default = 1. " /> + <param argument="verbose" type="integer" value="0" label="verbose" help="Controls verbosity of output." /> + </section> + </when> + </xml> + + <xml name="feature_selection_RFECV"> + <when value="RFECV"> + <yield/> + <section name="options" title="Advanced Options" expanded="False"> + <param argument="step" type="float" value="1" label="step" optional="true" help="Default = 1. " /> + <param argument="min_features_to_select" type="integer" value="1" optional="true" label="The minimum number of features to be selected"/> + <expand macro="cv_reduced"/> + <expand macro="scoring_selection"/> + <param argument="verbose" type="integer" value="0" label="verbose" help="Controls verbosity of output." /> + </section> + </when> + </xml> + + <xml name="feature_selection_pipeline"> + <!--compare to `feature_selection_fs`, no fitted estimator for SelectFromModel and no customer estimator for RFE and RFECV--> <conditional name="fs_algorithm_selector"> <param name="selected_algorithm" type="select" label="Select a feature selection algorithm"> - <option value="SelectKBest" selected="true">SelectKBest - Select features according to the k highest scores</option> - <option value="SelectFromModel">SelectFromModel - Meta-transformer for selecting features based on importance weights</option> - <option value="GenericUnivariateSelect">GenericUnivariateSelect - Univariate feature selector with configurable strategy</option> - <option value="SelectPercentile">SelectPercentile - Select features according to a percentile of the highest scores</option> - <option value="SelectFpr">SelectFpr - Filter: Select the p-values below alpha based on a FPR test</option> - <option value="SelectFdr">SelectFdr - Filter: Select the p-values for an estimated false discovery rate</option> - <option value="SelectFwe">SelectFwe - Filter: Select the p-values corresponding to Family-wise error rate</option> - <option value="RFE">RFE - Feature ranking with recursive feature elimination</option> - <option value="RFECV">RFECV - Feature ranking with recursive feature elimination and cross-validated selection of the best number of features</option> - <option value="VarianceThreshold">VarianceThreshold - Feature selector that removes all low-variance features</option> + <expand macro="feature_selection_algorithms"/> </param> - <when value="SelectFromModel"> - <conditional name="model_inputter"> - <yield/> - </conditional> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="threshold" type="text" value="" optional="true" label="threshold" help="The threshold value to use for feature selection. e.g. 'mean', 'median', '1.25*mean'." /> - <param argument="norm_order" type="integer" value="1" label="norm_order" help="Order of the norm used to filter the vectors of coefficients below threshold in the case where the coef_ attribute of the estimator is of dimension 2. " /> - </section> - </when> - <when value="GenericUnivariateSelect"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="mode" type="select" label="Feature selection mode"> - <option value="percentile">percentile</option> - <option value="k_best">k_best</option> - <option value="fpr">fpr</option> - <option value="fdr">fdr</option> - <option value="fwe">fwe</option> - </param> - <param argument="param" type="float" value="" optional="true" label="Parameter of the corresponding mode" help="float or int depending on the feature selection mode" /> - </section> - </when> - <when value="SelectPercentile"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="percentile" type="integer" value="10" optional="True" label="Percent of features to keep" /> - </section> - </when> - <when value="SelectKBest"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="k" type="integer" value="10" optional="True" label="Number of top features to select" help="No 'all' option is supported." /> - </section> - </when> - <when value="SelectFpr"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest p-value for features to be kept."/> - </section> - </when> - <when value="SelectFdr"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest uncorrected p-value for features to keep."/> - </section> - </when> - <when value="SelectFwe"> - <expand macro="feature_selection_score_function" /> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="alpha" type="float" value="" optional="True" label="Alpha" help="The highest uncorrected p-value for features to keep."/> - </section> - </when> - <when value="RFE"> + <expand macro="feature_selection_algorithm_details"/> + <expand macro="feature_selection_SelectFromModel_no_prefitted"/> + <expand macro="feature_selection_RFE"> + <expand macro="estimator_selector_all"/> + </expand> + <expand macro="feature_selection_RFECV"> <expand macro="estimator_selector_all"/> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="n_features_to_select" type="integer" value="" optional="true" label="n_features_to_select" help="The number of features to select. If None, half of the features are selected." /> - <param argument="step" type="float" value="1" label="step" optional="true" help="Default = 1. " /> - <param argument="verbose" type="integer" value="0" label="verbose" help="Controls verbosity of output." /> - </section> - </when> - <when value="RFECV"> - <expand macro="estimator_selector_all"/> - <section name="options" title="Advanced Options" expanded="False"> - <param argument="step" type="float" value="1" label="step" optional="true" help="Default = 1. " /> - <expand macro="cv"/> - <expand macro="scoring_selection"/> - <param argument="verbose" type="integer" value="0" label="verbose" help="Controls verbosity of output." /> - </section> - </when> - <when value="VarianceThreshold"> - <section name="options" title="Options" expanded="False"> - <param argument="threshold" type="float" value="" optional="True" label="Threshold" help="Features with a training-set variance lower than this threshold will be removed."/> - </section> - </when> - <!--when value="chi2"> - </when> - <when value="f_classif"> - </when> - <when value="f_regression"> - </when> - <when value="mutual_info_classif"> - </when> - <when value="mutual_info_regression"> - </when--> + </expand> + </conditional> + </xml> + + <xml name="feature_selection_fs"> + <conditional name="fs_algorithm_selector"> + <param name="selected_algorithm" type="select" label="Select a feature selection algorithm"> + <expand macro="feature_selection_algorithms"/> + </param> + <expand macro="feature_selection_algorithm_details"/> + <expand macro="feature_selection_SelectFromModel"/> + <expand macro="feature_selection_RFE"> + <expand macro="estimator_selector_fs"/> + </expand> + <expand macro="feature_selection_RFECV"> + <expand macro="estimator_selector_fs"/> + </expand> </conditional> </xml> @@ -945,21 +1103,6 @@ </param> </xml> - <xml name="feature_selection_output_mothods"> - <conditional name="output_method_selector"> - <param name="selected_method" type="select" label="Select an output method:"> - <option value="fit_transform">fit_transform - Fit to data, then transform it</option> - <option value="get_support">get_support - Get a mask, or integer index, of the features selected</option> - </param> - <when value="fit_transform"> - <!--**fit_params--> - </when> - <when value="get_support"> - <param name="indices" type="boolean" optional="true" truevalue="booltrue" falsevalue="boolfalse" checked="false" label="Indices" help="If True, the return value will be an array of integers, rather than a boolean mask."/> - </when> - </conditional> - </xml> - <xml name="model_validation_common_options"> <expand macro="cv"/> <expand macro="verbose"/> @@ -1122,22 +1265,22 @@ <expand macro="pre_dispatch" value="2*n_jobs" help="Controls the number of jobs that get dispatched during parallel execution"/> <param argument="iid" type="boolean" truevalue="booltrue" falsevalue="boolfalse" checked="true" label="iid" help="If True, data is identically distributed across the folds"/> <param argument="refit" type="boolean" truevalue="booltrue" falsevalue="boolfalse" checked="true" label="refit" help="Refit an estimator using the best found parameters on the whole dataset."/> - <param argument="error_score" type="boolean" truevalue="booltrue" falsevalue="boolfalse" checked="true" label="Raise fit error:" help="If false, the metric score is assigned to 0 if an error occurs in estimator fitting and FitFailedWarning is raised."/> + <param argument="error_score" type="boolean" truevalue="booltrue" falsevalue="boolfalse" checked="true" label="Raise fit error:" help="If false, the metric score is assigned to NaN if an error occurs in estimator fitting and FitFailedWarning is raised."/> <param argument="return_train_score" type="boolean" truevalue="booltrue" falsevalue="boolfalse" checked="false" label="return_train_score" help=""/> </xml> - <xml name="estimator_selector_all"> - <conditional name="estimator_selector"> - <param name="selected_module" type="select" label="Choose the module that contains target estimator:" > - <option value="svm" selected="true">sklearn.svm</option> - <option value="linear_model">sklearn.linear_model</option> - <option value="ensemble">sklearn.ensemble</option> - <option value="naive_bayes">sklearn.naive_bayes</option> - <option value="tree">sklearn.tree</option> - <option value="neighbors">sklearn.neighbors</option> - <option value="xgboost">xgboost</option> - <!--more--> - </param> + <xml name="estimator_module_options"> + <option value="svm" selected="true">sklearn.svm</option> + <option value="linear_model">sklearn.linear_model</option> + <option value="ensemble">sklearn.ensemble</option> + <option value="naive_bayes">sklearn.naive_bayes</option> + <option value="tree">sklearn.tree</option> + <option value="neighbors">sklearn.neighbors</option> + <option value="xgboost">xgboost</option> + <yield/> + </xml> + + <xml name="estimator_suboptions"> <when value="svm"> <param name="selected_estimator" type="select" label="Choose estimator class:"> <option value="LinearSVC" selected="true">LinearSVC</option> @@ -1244,6 +1387,30 @@ </param> <expand macro="estimator_params_text"/> </when> + <yield/> + </xml> + + <xml name="estimator_selector_all"> + <conditional name="estimator_selector"> + <param name="selected_module" type="select" label="Choose the module that contains target estimator:" > + <expand macro="estimator_module_options"/> + </param> + <expand macro="estimator_suboptions"/> + </conditional> + </xml> + + <xml name="estimator_selector_fs"> + <conditional name="estimator_selector"> + <param name="selected_module" type="select" label="Choose the module that contains target estimator:" > + <expand macro="estimator_module_options"> + <option value="customer_estimator">Load a customer estimator</option> + </expand> + </param> + <expand macro="estimator_suboptions"> + <when value="customer_estimator"> + <param name="c_estimator" type="data" format="zip" label="Choose the dataset containing the customer estimator or pipeline:"/> + </when> + </expand> </conditional> </xml> @@ -1373,7 +1540,7 @@ <option value="SURFstar">SURFstar</option> <option value="MultiSURF">MultiSURF</option> <option value="MultiSURFstar">MultiSURFstar</option> - <option value="TuRF">TuRF</option> + <!--option value="TuRF">TuRF</option> --> </param> <when value="ReliefF"> <expand macro="estimator_params_text" @@ -1395,12 +1562,115 @@ <expand macro="estimator_params_text" help="Default(=blank): discrete_threshold=10, n_features_to_select=10, verbose=False."/> </when> - <when value="TuRF"> + <!--when value="TuRF"> <expand macro="estimator_params_text" help="Default(=blank): core_algorithm='ReliefF', discrete_threshold=10, n_features_to_select=10, n_neighbors=100, pct=0.5, verbose=False."/> + </when> --> + </conditional> + </xml> + + <xml name="imbalanced_learn_sampling"> + <conditional name="imblearn_selector"> + <param name="select_algorithm" type="select" label="Choose the algorithm:"> + <option value="under_sampling.ClusterCentroids" selected="true">under_sampling.ClusterCentroids</option> + <option value="under_sampling.CondensedNearestNeighbour">under_sampling.CondensedNearestNeighbour</option> + <option value="under_sampling.EditedNearestNeighbours">under_sampling.EditedNearestNeighbours</option> + <option value="under_sampling.RepeatedEditedNearestNeighbours">under_sampling.RepeatedEditedNearestNeighbours</option> + <option value="under_sampling.AllKNN">under_sampling.AllKNN</option> + <option value="under_sampling.InstanceHardnessThreshold">under_sampling.InstanceHardnessThreshold</option> + <option value="under_sampling.NearMiss">under_sampling.NearMiss</option> + <option value="under_sampling.NeighbourhoodCleaningRule">under_sampling.NeighbourhoodCleaningRule</option> + <option value="under_sampling.OneSidedSelection">under_sampling.OneSidedSelection</option> + <option value="under_sampling.RandomUnderSampler">under_sampling.RandomUnderSampler</option> + <option value="under_sampling.TomekLinks">under_sampling.TomekLinks</option> + <option value="over_sampling.ADASYN">over_sampling.ADASYN</option> + <option value="over_sampling.RandomOverSampler">over_sampling.RandomOverSampler</option> + <option value="over_sampling.SMOTE">over_sampling.SMOTE</option> + <option value="over_sampling.SVMSMOTE">over_sampling.SVMSMOTE</option> + <option value="over_sampling.BorderlineSMOTE">over_sampling.BorderlineSMOTE</option> + <option value="over_sampling.SMOTENC">over_sampling.SMOTENC</option> + <option value="combine.SMOTEENN">combine.SMOTEENN</option> + <option value="combine.SMOTETomek">combine.SMOTETomek</option> + </param> + <when value="under_sampling.ClusterCentroids"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, estimator=None, voting='auto'."/> + </when> + <when value="under_sampling.CondensedNearestNeighbour"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=None, n_seeds_S=1."/> + </when> + <when value="under_sampling.EditedNearestNeighbours"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=3, max_iter=100, kind_sel='all'."/> + </when> + <when value="under_sampling.RepeatedEditedNearestNeighbours"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=3, max_iter=100, kind_sel='all'."/> + </when> + <when value="under_sampling.AllKNN"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=3, kind_sel='all', allow_minority=False."/> + </when> + <when value="under_sampling.InstanceHardnessThreshold"> + <expand macro="estimator_params_text" + help="Default(=blank): estimator=None, sampling_strategy='auto', random_state=None, cv=5."/> + </when> + <when value="under_sampling.NearMiss"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, version=1, n_neighbors=3, n_neighbors_ver3=3."/> + </when> + <when value="under_sampling.NeighbourhoodCleaningRule"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=3, kind_sel='all', threshold_cleaning=0.5."/> + </when> + <when value="under_sampling.OneSidedSelection"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=None, n_seeds_S=1."/> + </when> + <when value="under_sampling.RandomUnderSampler"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, replacement=False."/> + </when> + <when value="under_sampling.TomekLinks"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None."/> + </when> + <when value="over_sampling.ADASYN"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, n_neighbors=5."/> + </when> + <when value="over_sampling.RandomOverSampler"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None."/> + </when> + <when value="over_sampling.SMOTE"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, k_neighbors=5."/> + </when> + <when value="over_sampling.SVMSMOTE"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', k_neighbors=5, m_neighbors=10, out_step=0.5, random_state=None, svm_estimator=None."/> + </when> + <when value="over_sampling.BorderlineSMOTE"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', k_neighbors=5, kind='borderline-1', m_neighbors=10, random_state=None."/> + </when> + <when value="over_sampling.SMOTENC"> + <expand macro="estimator_params_text" + help="Default: categorical_features=[], sampling_strategy='auto', random_state=None, k_neighbors=5."/> + </when> + <when value="combine.SMOTEENN"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, smote=None, enn=None."/> + </when> + <when value="combine.SMOTETomek"> + <expand macro="estimator_params_text" + help="Default(=blank): sampling_strategy='auto', random_state=None, smote=None, tomek=None."/> </when> </conditional> </xml> + <!-- Outputs --> <xml name="output"> @@ -1498,4 +1768,19 @@ </citation> </xml> + <xml name="imblearn_citation"> + <citation type="bibtex"> + @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} + } + </citation> + </xml> + </macros>
--- a/sample_generator.xml Thu Oct 11 03:31:19 2018 -0400 +++ b/sample_generator.xml Sun Dec 30 01:52:56 2018 -0500 @@ -32,7 +32,7 @@ points_df = pandas.DataFrame(my_points) targets_df = pandas.DataFrame(my_targets) res = pandas.concat([points_df, targets_df], axis=1) -res.to_csv(path_or_buf = "$outfile", sep="\t", index=False) +res.to_csv(path_or_buf = "$outfile", sep="\t", index=False, float_format='%.14f') ]]> </configfile> @@ -238,7 +238,7 @@ <test> <param name="selected_generator" value="make_blobs"/> <param name="random_state" value="100"/> - <output name="outfile" file="blobs.txt"/> + <output name="outfile" file="blobs.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_classification"/> @@ -248,57 +248,57 @@ <test> <param name="selected_generator" value="make_circles"/> <param name="random_state" value="100"/> - <output name="outfile" file="circles.txt"/> + <output name="outfile" file="circles.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_friedman1"/> <param name="random_state" value="100"/> - <output name="outfile" file="friedman1.txt"/> + <output name="outfile" file="friedman1.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_friedman2"/> <param name="random_state" value="100"/> - <output name="outfile" file="friedman2.txt"/> + <output name="outfile" file="friedman2.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_friedman3"/> <param name="random_state" value="100"/> - <output name="outfile" file="friedman3.txt"/> + <output name="outfile" file="friedman3.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_gaussian_quantiles"/> <param name="random_state" value="100"/> - <output name="outfile" file="gaus.txt"/> + <output name="outfile" file="gaus.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_hastie_10_2"/> <param name="random_state" value="100"/> - <output name="outfile" file="hastie.txt" compare="contains"/> + <output name="outfile" file="hastie.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_moons"/> <param name="random_state" value="100"/> - <output name="outfile" file="moons.txt"/> + <output name="outfile" file="moons.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_regression"/> <param name="random_state" value="100"/> - <output name="outfile" file="regression.txt" compare="sim_size" /> + <output name="outfile" file="regression.txt" compare="sim_size" delta="1" /> </test> <test> <param name="selected_generator" value="make_s_curve"/> <param name="random_state" value="100"/> - <output name="outfile" file="scurve.txt"/> + <output name="outfile" file="scurve.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_sparse_uncorrelated"/> <param name="random_state" value="100"/> - <output name="outfile" file="sparse_u.txt"/> + <output name="outfile" file="sparse_u.txt" compare="sim_size" delta="1"/> </test> <test> <param name="selected_generator" value="make_swiss_roll"/> <param name="random_state" value="100"/> - <output name="outfile" file="swiss_r.txt"/> + <output name="outfile" file="swiss_r.txt" compare="sim_size" delta="1"/> </test> </tests> <help>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/search_model_validation.py Sun Dec 30 01:52:56 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)
--- a/sk_whitelist.json Thu Oct 11 03:31:19 2018 -0400 +++ b/sk_whitelist.json Sun Dec 30 01:52:56 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
--- a/test-data/blobs.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/blobs.txt Sun Dec 30 01:52:56 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 -3.997448810001185 0 --8.735095893232405 -5.490905352087513 2 -1.8494196227705402 -3.918393456729695 0 --9.152560688488569 -9.17805648051067 2 --3.214299390778301 5.7592616395707115 1 -0.2845037854966439 -3.615765226438298 0 --0.9290748492230643 5.79099955373578 1 -0.366925241944827 6.518619296229099 1 -1.5990991796541174 -3.0710561729787464 0 --9.71270568435724 -7.917076514990086 2 --10.080404430632045 -6.551353241086546 2 -1.1059434577429306 -4.419063749495465 0 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--- a/test-data/circles.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/circles.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,101 +1,101 @@ 0 1 0 --0.06279051952931321 -0.9980267284282716 0 -0.05023241562345065 0.7984213827426173 1 --0.9921147013144779 -0.12533323356430429 0 -0.4257792915650726 -0.9048270524660196 0 --0.30901699437494756 -0.9510565162951535 0 --1.0 -3.216245299353273e-16 0 --0.18738131458572463 -0.9822872507286887 0 --0.5358267949789963 -0.8443279255020153 0 --0.7748665289029049 -0.19895190973188404 1 --0.8763066800438636 0.4817536741017152 0 --0.24721359549995806 -0.7608452130361228 1 -0.8 0.0 1 -0.42866143598319745 -0.675462340401612 1 --0.5831749019371294 0.5476376847429508 1 -0.7010453440350909 -0.38540293928137226 1 --0.743821188710601 -0.29449964214774266 1 --0.7438211887106012 0.2944996421477422 1 -0.8090169943749475 0.5877852522924731 0 -0.30901699437494723 -0.9510565162951536 0 -0.18738131458572452 0.9822872507286887 0 --0.8763066800438635 -0.4817536741017154 0 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--- a/test-data/classification_report.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/classification_report.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,9 +1,11 @@ classification_report : - precision recall f1-score support + precision recall f1-score support - 0 1.00 1.00 1.00 14 - 1 1.00 0.62 0.77 16 - 2 0.60 1.00 0.75 9 + 0 1.00 1.00 1.00 14 + 1 1.00 0.62 0.77 16 + 2 0.60 1.00 0.75 9 -avg / total 0.91 0.85 0.85 39 + micro avg 0.85 0.85 0.85 39 + macro avg 0.87 0.88 0.84 39 +weighted avg 0.91 0.85 0.85 39
--- a/test-data/cluster_result12 Thu Oct 11 03:31:19 2018 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,48 +0,0 @@ -0 44 64 -76 3 -0 51 48 -73 3 -0 58 65 -49 3 -0 43 61 -49 1 -0 45 43 -79 3 -0 42 60 -98 0 -0 50 55 -59 2 -0 53 53 -56 2 -0 45 44 -61 2 -0 43 65 -84 3 -0 35 52 -75 1 -0 56 56 -70 3 -1 -61 86 43 0 -1 -67 93 15 3 -1 -59 94 36 0 -1 -50 92 62 2 -1 -78 91 70 2 -1 -35 87 47 3 -1 -56 91 52 2 -1 -61 81 46 0 -1 -83 78 34 2 -1 -50 87 45 2 -1 -67 73 50 2 -1 -50 97 45 2 -1 -61 111 45 0 -2 -109 23 -92 0 -2 -94 20 -96 0 -2 -85 26 -88 0 -2 -90 33 -114 0 -2 -63 9 -106 2 -2 -79 9 -93 2 -2 -99 26 -108 0 -2 -81 19 -110 0 -2 -108 21 -108 0 -2 -92 27 -106 0 -2 -88 2 -106 0 -2 -88 15 -103 0 -3 54 -74 4 1 -3 42 -92 31 0 -3 39 -99 -7 2 -3 48 -115 -5 2 -3 39 -96 2 2 -3 31 -109 9 1 -3 33 -96 -8 2 -3 23 -102 4 1 -3 38 -90 21 0 -3 34 -107 1 1 -3 35 -78 18 0
--- a/test-data/feature_selection_result12 Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/feature_selection_result12 Sun Dec 30 01:52:56 2018 -0500 @@ -1,11 +1,11 @@ 0 1 -143.762620712 -1.1796457192799998 --88.5787166225 -2.5710918402200003 --82.8452345578 -0.168636324107 -72.4951388149 0.991068834926 -11.805182128 -0.7096855607860001 --63.9354970901 0.9841122108220001 -126.32584079600001 0.35353444883900004 -23.0341392692 1.03188231893 -67.6714937696 -0.8214378651719999 -47.39275848810001 -0.0942409319417 +143.762620712 -0.330941870584 +-88.5787166225 1.08055532812 +-82.8452345578 0.272541389247 +72.4951388149 -0.26868660527800003 +11.805182128 1.0360467096600001 +-63.9354970901 -0.101485840571 +126.32584079600001 -0.35999834017899995 +23.0341392692 0.5185404651359999 +67.6714937696 -0.115688051547 +47.39275848810001 -0.7850965413680001
--- a/test-data/friedman1.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/friedman1.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,101 +1,101 @@ 0 1 2 3 4 5 6 7 8 9 0 -0.5434049417909654 0.27836938509379616 0.4245175907491331 0.8447761323199037 0.004718856190972565 0.12156912078311422 0.6707490847267786 0.8258527551050476 0.13670658968495297 0.57509332942725 13.160650397398078 -0.891321954312264 0.20920212211718958 0.18532821955007506 0.10837689046425514 0.21969749262499216 0.9786237847073697 0.8116831490893233 0.1719410127325942 0.8162247487258399 0.2740737470416992 9.691298137658498 -0.4317041836631217 0.9400298196223746 0.8176493787767274 0.3361119501208987 0.17541045374233666 0.37283204628992317 0.005688507352573424 0.25242635344484043 0.7956625084732873 0.01525497124633901 15.821619961828777 -0.5988433769284929 0.6038045390428536 0.10514768541205632 0.38194344494311006 0.03647605659256892 0.8904115634420757 0.9809208570123115 0.05994198881803725 0.8905459447285041 0.5769014994000329 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--- a/test-data/gbc_result01 Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/gbc_result01 Sun Dec 30 01:52:56 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
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--- a/test-data/moons.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/moons.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,101 +1,101 @@ 0 1 0 --0.7183493500977275 0.6956825506034865 0 -0.2816506499022724 -0.19568255060348638 1 --0.09602302590768154 0.9953791129491982 0 --0.8713187041233892 0.49071755200393813 0 --0.6234898018587335 0.7818314824680299 0 --0.032051577571654985 0.9994862162006879 0 --0.6723008902613166 0.7402779970753157 0 --0.518392568310525 0.8551427630053462 0 -1.159599895033379 -0.4871817834144502 1 -0.22252093395631445 0.9749279121818236 0 -1.6234898018587334 -0.2818314824680299 1 -0.0 0.5 1 -1.900968867902419 0.06611626088244171 1 -0.6546349455786922 -0.43846842204976033 1 -1.9815591569910653 0.30884137129862743 1 -1.2225209339563143 -0.4749279121818236 1 -0.8404001049666207 -0.4871817834144502 1 -0.9490557470106686 0.31510821802362066 0 --0.8380881048918404 0.545534901210549 0 -0.7614459583691344 0.6482283953077884 0 --0.28452758663103234 0.9586678530366607 0 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--- a/test-data/prp_result06 Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/prp_result06 Sun Dec 30 01:52:56 2018 -0500 @@ -2,8 +2,8 @@ % 3 3 6 1 1 1.000000000000000e+00 +3 1 4.000000000000000e-02 +3 2 -5.000000000000000e+00 1 3 -2.000000000000000e-01 2 3 1.100000000000000e+01 -3 1 4.000000000000000e-02 -3 2 -5.000000000000000e+00 3 3 2.600000000000000e+00
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--- a/test-data/rfc_result01 Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/rfc_result01 Sun Dec 30 01:52:56 2018 -0500 @@ -1,4 +1,5 @@ -3.68258022948 2.82110345641 -3.990140724 -1.9523364774 0 +0 1 2 3 predicted +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
--- a/test-data/rfr_result01 Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/rfr_result01 Sun Dec 30 01:52:56 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 -0.7327774684530001 -0.8640261049779999 -1.06109770116 -0.16198314840411981 +61.712804630200004 -1.0999480057700002 -0.739679672932 0.585657963012 1.4890682753600002 1.1603837128651284 +-206.998295124 0.130238853011 0.70574123041 1.3320656526399999 -1.3322092373799999 -0.6710618307873705
--- a/test-data/roc_curve.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/roc_curve.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,2 +1,2 @@ roc_curve : -(array([0., 1.]), array([1., 1.]), array([1, 0])) +(array([0., 0., 1.]), array([0., 1., 1.]), array([2, 1, 0]))
--- a/test-data/scurve.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/scurve.txt Sun Dec 30 01:52:56 2018 -0500 @@ -1,101 +1,101 @@ 0 1 2 0 -0.3977671870599717 1.556578430899697 -0.08251361596021634 0.40908193877996885 --0.8687998111588782 1.5591967972214993 1.4951634963628657 -2.0888193347997555 --0.6528985856951757 1.2206563064187876 0.2425546641524292 -0.7114049471333452 --0.10763690701724954 0.6180006970488043 -1.994190271652142 3.2494384932879354 -0.9990111870215757 1.395469815025912 1.0444595119827287 -4.667914808555971 -0.4123520816278936 1.7192365914581302 1.911024566505834 -3.5666270101178843 -0.9992598944951743 1.2506475155136152 -1.038466391220041 1.6092722105544868 -0.07044439596581016 1.9648156592190993 -1.9975157076843513 3.071089864770035 -0.2786297608351926 1.9530002540317106 1.9603985924484288 -3.4239597268300024 -0.6501166570301194 0.33338826239771624 -0.24016558892612527 0.7077379561867405 --0.5197257228645411 0.04635627295680722 -1.8543331744658698 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--- a/test-data/svc_prediction_result03.tabular Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/svc_prediction_result03.tabular Sun Dec 30 01:52:56 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
--- a/test-data/swiss_r.txt Thu Oct 11 03:31:19 2018 -0400 +++ b/test-data/swiss_r.txt Sun Dec 30 01:52:56 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 12.674216454057314 -0.21148781431603128 14.652433057772075 -4.752159504191911 4.756863152213408 -5.336919430343019 18.05198421031037 -2.4156207389915676 5.8581509506514955 -0.4244400906317155 13.13179891289296 -11.025883810051546 11.034050171323868 -12.464824437123061 20.630564421800543 -0.8802638610387414 12.495867825539413 -5.763177385414243 20.50650266733296 -1.6720065493379934 6.000818233939377 --7.699034264457019 3.5005767551760205 -6.587317375235983 10.13251591695612 -11.202785903218851 0.4867408660464758 6.815111686710793 13.112900491336806 -6.154126712593873 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--- a/utils.py Thu Oct 11 03:31:19 2018 -0400 +++ b/utils.py Sun Dec 30 01:52:56 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<method>\w+)\((?P<args>.*)\)$', 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