Run
10225668

Run 10225668

Task 9957 (Supervised Classification) qsar-biodeg Uploaded 18-04-2019 by Jan van Rijn
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Flow

sklearn.pipeline.Pipeline(columntransformer=sklearn.compose._column_transfo rmer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.pr eprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.St andardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.imput e.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder )),variancethreshold=sklearn.feature_selection.variance_threshold.VarianceT hreshold,gradientboostingclassifier=sklearn.ensemble.gradient_boosting.Grad ientBoostingClassifier)(4)Automatically created scikit-learn flow.
sklearn.impute.SimpleImputer(10)_copytrue
sklearn.impute.SimpleImputer(10)_fill_value-1
sklearn.impute.SimpleImputer(10)_missing_valuesNaN
sklearn.impute.SimpleImputer(10)_strategy"constant"
sklearn.impute.SimpleImputer(10)_verbose0
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(4)_n_jobsnull
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(4)_remainder"passthrough"
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(4)_sparse_threshold0.3
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(4)_transformer_weightsnull
sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder))(4)_transformers[{"oml-python:serialized_object": "component_reference", "value": {"key": "numeric", "step_name": "numeric", "argument_1": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40]}}, {"oml-python:serialized_object": "component_reference", "value": {"key": "nominal", "step_name": "nominal", "argument_1": []}}]
sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler)(4)_memorynull
sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler)(4)_steps[{"oml-python:serialized_object": "component_reference", "value": {"key": "imputer", "step_name": "imputer"}}, {"oml-python:serialized_object": "component_reference", "value": {"key": "standardscaler", "step_name": "standardscaler"}}]
sklearn.preprocessing.imputation.Imputer(38)_axis0
sklearn.preprocessing.imputation.Imputer(38)_copytrue
sklearn.preprocessing.imputation.Imputer(38)_missing_values"NaN"
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sklearn.preprocessing.imputation.Imputer(38)_verbose0
sklearn.preprocessing.data.StandardScaler(25)_copytrue
sklearn.preprocessing.data.StandardScaler(25)_with_meantrue
sklearn.preprocessing.data.StandardScaler(25)_with_stdtrue
sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)(4)_memorynull
sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)(4)_steps[{"oml-python:serialized_object": "component_reference", "value": {"key": "simpleimputer", "step_name": "simpleimputer"}}, {"oml-python:serialized_object": "component_reference", "value": {"key": "onehotencoder", "step_name": "onehotencoder"}}]
sklearn.preprocessing._encoders.OneHotEncoder(9)_categorical_featuresnull
sklearn.preprocessing._encoders.OneHotEncoder(9)_categoriesnull
sklearn.preprocessing._encoders.OneHotEncoder(9)_dtype{"oml-python:serialized_object": "type", "value": "np.float64"}
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sklearn.preprocessing._encoders.OneHotEncoder(9)_sparsetrue
sklearn.feature_selection.variance_threshold.VarianceThreshold(24)_threshold0.0
sklearn.pipeline.Pipeline(columntransformer=sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)),variancethreshold=sklearn.feature_selection.variance_threshold.VarianceThreshold,gradientboostingclassifier=sklearn.ensemble.gradient_boosting.GradientBoostingClassifier)(4)_memorynull
sklearn.pipeline.Pipeline(columntransformer=sklearn.compose._column_transformer.ColumnTransformer(numeric=sklearn.pipeline.Pipeline(imputer=sklearn.preprocessing.imputation.Imputer,standardscaler=sklearn.preprocessing.data.StandardScaler),nominal=sklearn.pipeline.Pipeline(simpleimputer=sklearn.impute.SimpleImputer,onehotencoder=sklearn.preprocessing._encoders.OneHotEncoder)),variancethreshold=sklearn.feature_selection.variance_threshold.VarianceThreshold,gradientboostingclassifier=sklearn.ensemble.gradient_boosting.GradientBoostingClassifier)(4)_steps[{"oml-python:serialized_object": "component_reference", "value": {"key": "columntransformer", "step_name": "columntransformer"}}, {"oml-python:serialized_object": "component_reference", "value": {"key": "variancethreshold", "step_name": "variancethreshold"}}, {"oml-python:serialized_object": "component_reference", "value": {"key": "gradientboostingclassifier", "step_name": "gradientboostingclassifier"}}]
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_criterion"mae"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_initnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_learning_rate0.0018184412895770952
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_loss"deviance"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_max_depth8
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_max_features0.04713647755665229
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_max_leaf_nodesnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_min_impurity_decrease0.053098567088223025
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_min_impurity_splitnull
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_min_samples_leaf17
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_min_samples_split15
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_min_weight_fraction_leaf0.4904502507999132
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_n_estimators408
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_n_iter_no_change988
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_presort"auto"
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_random_state30142
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_subsample0.9436420307911587
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_tol2.4000226780719306e-05
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_validation_fraction0.08503677572145996
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_verbose0
sklearn.ensemble.gradient_boosting.GradientBoostingClassifier(20)_warm_startfalse

Result files

xml
Description

XML file describing the run, including user-defined evaluation measures.

arff
Predictions

ARFF file with instance-level predictions generated by the model.

15 Evaluation measures

Area under ROC curve
0.5815 ± 0.1009
Per class
Cross-validation details (10-fold Crossvalidation)
KB relative information score
2.098 ± 0.0845
Cross-validation details (10-fold Crossvalidation)
Mean absolute error
0.4464 ± 0.001
Cross-validation details (10-fold Crossvalidation)
Mean prior absolute error
0.4472 ± 0.0012
Cross-validation details (10-fold Crossvalidation)
Number of instances
1055
Per class
Cross-validation details (10-fold Crossvalidation)
Predictive accuracy
0.6626 ± 0.0037
Cross-validation details (10-fold Crossvalidation)
Prior entropy
0.9226
Cross-validation details (10-fold Crossvalidation)
Recall
0.6626 ± 0.0037
Per class
Cross-validation details (10-fold Crossvalidation)
Relative absolute error
0.9981 ± 0.0007
Cross-validation details (10-fold Crossvalidation)
Root mean prior squared error
0.4728 ± 0.0013
Cross-validation details (10-fold Crossvalidation)
Root mean squared error
0.4727 ± 0.0012
Cross-validation details (10-fold Crossvalidation)
Root relative squared error
0.9997 ± 0.0005
Cross-validation details (10-fold Crossvalidation)