# selected attributes of interest when generating the report for a train-/test-evaluation VAL_ATTR_TRAIN_TEST = [ :model_uri, :training_dataset_uri, :test_dataset_uri, :prediction_feature ] # selected attributes of interest when generating the crossvalidation report VAL_ATTR_CV = [ :algorithm_uri, :dataset_uri, :num_folds, :crossvalidation_fold ] # selected attributes of interest when performing classification VAL_ATTR_CLASS = [ :num_instances, :num_unpredicted, :accuracy, :weighted_accuracy, :average_area_under_roc, :area_under_roc, :f_measure, :true_positive_rate, :true_negative_rate, :positive_predictive_value, :negative_predictive_value ] VAL_ATTR_REGR = [ :num_instances, :num_unpredicted, :root_mean_squared_error, :weighted_root_mean_squared_error, :mean_absolute_error, :weighted_mean_absolute_error, :r_square, :weighted_r_square, :sample_correlation_coefficient, :concordance_correlation_coefficient ] #VAL_ATTR_BOX_PLOT_CLASS = [ :accuracy, :average_area_under_roc, # :area_under_roc, :f_measure, :true_positive_rate, :true_negative_rate ] VAL_ATTR_BOX_PLOT_CLASS = [ :accuracy, :area_under_roc, :f_measure, :true_positive_rate, :true_negative_rate, :positive_predictive_value, :negative_predictive_value ] VAL_ATTR_BOX_PLOT_REGR = [ :root_mean_squared_error, :mean_absolute_error, :r_square ] VAL_ATTR_TTEST_REGR = [ :r_square, :root_mean_squared_error ] VAL_ATTR_TTEST_CLASS = [ :accuracy, :average_area_under_roc ] # = Reports::ReportFactory # # creates various reports (Reports::ReportContent) # module Reports::ReportFactory RT_VALIDATION = "validation" RT_CV = "crossvalidation" RT_ALG_COMP = "algorithm_comparison" RT_METHOD_COMP = "method_comparison" REPORT_TYPES = [RT_VALIDATION, RT_CV, RT_ALG_COMP, RT_METHOD_COMP ] # creates a report of a certain type according to the validation data in validation_set # # call-seq: # self.create_report(type, validation_set) => Reports::ReportContent # def self.create_report(type, validation_set, params={}, task=nil) case type when RT_VALIDATION create_report_validation(validation_set, {}, task) when RT_CV create_report_crossvalidation(validation_set, {}, task) when RT_ALG_COMP create_report_compare_algorithms(validation_set, params, task) when RT_METHOD_COMP create_report_compare_methods(validation_set, params, task) else raise "unknown report type "+type.to_s end end private # this function is only to set task progress accordingly # loading predicitons is time consuming, and is done dynamically -> # pre-load and set task progress def self.pre_load_predictions( validation_set, task=nil) i = 0 task_step = 100 / validation_set.size.to_f validation_set.validations.each do |v| v.get_predictions( OpenTox::SubTask.create(task, i*task_step, (i+1)*task_step ) ) i += 1 end end def self.add_filter_warning(report, filter_params) msg = "The validation results for this report have been filtered." msg += " Minimum confidence: "+ filter_params[:min_confidence].to_s if filter_params[:min_confidence]!=nil msg += " Minimum number of predictions (sorted with confidence): "+ filter_params[:min_num_predictions].to_s if filter_params[:min_num_predictions]!=nil msg += " Maximum number of predictions: "+ filter_params[:max_num_predictions].to_s if filter_params[:max_num_predictions]!=nil report.add_warning(msg) end def self.create_report_validation(validation_set, params, task=nil) raise OpenTox::BadRequestError.new("num validations is not equal to 1") unless validation_set.size==1 val = validation_set.validations[0] pre_load_predictions( validation_set, OpenTox::SubTask.create(task,0,50) ) report = Reports::ReportContent.new("Validation report") add_filter_warning(report, validation_set.filter_params) if validation_set.filter_params!=nil case val.feature_type when "classification" report.add_result(validation_set, [:validation_uri] + VAL_ATTR_TRAIN_TEST + VAL_ATTR_CLASS, "Results", "Results") report.add_confusion_matrix(val) report.add_section("Plots") if (validation_set.get_accept_values.size == 2) if validation_set.get_true_accept_value!=nil report.add_roc_plot(validation_set, validation_set.get_true_accept_value) else report.add_roc_plot(validation_set, validation_set.get_accept_values[0]) report.add_roc_plot(validation_set, validation_set.get_accept_values[1]) report.align_last_two_images "ROC Plots" end end report.add_confidence_plot(validation_set, :accuracy, nil) validation_set.get_accept_values.each do |accept_value| report.add_confidence_plot(validation_set, :true_positive_rate, accept_value) report.add_confidence_plot(validation_set, :positive_predictive_value, accept_value) report.align_last_two_images "Confidence Plots" end when "regression" report.add_result(validation_set, [:validation_uri] + VAL_ATTR_TRAIN_TEST + VAL_ATTR_REGR, "Results", "Results") report.add_section("Plots") report.add_regression_plot(validation_set, :model_uri) report.add_confidence_plot(validation_set, :root_mean_squared_error, nil) report.add_confidence_plot(validation_set, :r_square, nil) report.align_last_two_images "Confidence Plots" report.add_confidence_plot(validation_set, :sample_correlation_coefficient, nil) report.add_confidence_plot(validation_set, :concordance_correlation_coefficient, nil) report.align_last_two_images "More Confidence Plots" end task.progress(70) if task report.add_train_test_plot( validation_set, false, OpenTox::SubTask.create(task,70,80) ) report.add_train_test_plot( validation_set, true, OpenTox::SubTask.create(task,80,90) ) report.align_last_two_images "Training Test Data Distribution Plots" report.end_section report.add_result(validation_set, Validation::ALL_PROPS, "All Results", "All Results") report.add_predictions( validation_set, false ) task.progress(100) if task report end def self.create_report_crossvalidation(validation_set, params, task=nil) raise OpenTox::BadRequestError.new "cv report not implemented for filter params" if validation_set.filter_params!=nil raise OpenTox::BadRequestError.new("num validations is not >1") unless validation_set.size>1 raise OpenTox::BadRequestError.new("crossvalidation-id not unique and != nil: "+ validation_set.get_values(:crossvalidation_id,false).inspect) if validation_set.unique_value(:crossvalidation_id)==nil validation_set.load_cv_attributes raise OpenTox::BadRequestError.new("num validations ("+validation_set.size.to_s+") is not equal to num folds ("+ validation_set.unique_value(:num_folds).to_s+")") unless validation_set.unique_value(:num_folds).to_i==validation_set.size raise OpenTox::BadRequestError.new("num different folds is not equal to num validations") unless validation_set.num_different_values(:crossvalidation_fold)==validation_set.size raise OpenTox::BadRequestError.new("validations must have unique feature type, i.e. must be either all regression, "+ "or all classification validations") unless validation_set.unique_feature_type pre_load_predictions( validation_set, OpenTox::SubTask.create(task,0,80) ) validation_set.validations.sort! do |x,y| x.crossvalidation_fold.to_f <=> y.crossvalidation_fold.to_f end cv_set = validation_set.replace_with_cv_stats raise unless cv_set.size==1 #puts cv_set.get_values(:percent_correct_variance, false).inspect report = Reports::ReportContent.new("Crossvalidation report") res_titel = "Crossvalidation Results" res_text = "These performance statistics have been derieved by accumulating all predictions on the various fold (i.e. these numbers are NOT averaged results over all crossvalidation folds)." case validation_set.unique_feature_type when "classification" report.add_result(cv_set, [:crossvalidation_uri]+VAL_ATTR_CV+VAL_ATTR_CLASS-[:crossvalidation_fold], res_titel, res_titel, res_text) report.add_confusion_matrix(cv_set.validations[0]) report.add_section("Plots") [nil, :crossvalidation_fold].each do |split_attribute| if (validation_set.get_accept_values.size == 2) if validation_set.get_true_accept_value!=nil report.add_roc_plot(validation_set, validation_set.get_true_accept_value,split_attribute) else report.add_roc_plot(validation_set, validation_set.get_accept_values[0], split_attribute) report.add_roc_plot(validation_set, validation_set.get_accept_values[1], split_attribute) report.align_last_two_images "ROC Plots" end end report.add_confidence_plot(validation_set,:accuracy,nil,split_attribute) validation_set.get_accept_values.each do |accept_value| report.add_confidence_plot(validation_set, :true_positive_rate, accept_value, split_attribute) report.add_confidence_plot(validation_set, :positive_predictive_value, accept_value, split_attribute) report.align_last_two_images "Confidence Plots" end end report.end_section report.add_result(validation_set, [:validation_uri, :validation_report_uri]+VAL_ATTR_CV+VAL_ATTR_CLASS-[:num_folds, :dataset_uri, :algorithm_uri], "Results","Results") if (cv_set.unique_value(:num_folds).to_i < cv_set.unique_value(:num_instances).to_i) when "regression" report.add_result(cv_set, [:crossvalidation_uri]+VAL_ATTR_CV+VAL_ATTR_REGR-[:crossvalidation_fold],res_titel, res_titel, res_text) report.add_section("Plots") report.add_regression_plot(validation_set, :crossvalidation_fold) report.add_confidence_plot(validation_set, :root_mean_squared_error, nil) report.add_confidence_plot(validation_set, :r_square, nil) report.align_last_two_images "Confidence Plots" report.add_confidence_plot(validation_set, :root_mean_squared_error, nil, :crossvalidation_fold) report.add_confidence_plot(validation_set, :r_square, nil, :crossvalidation_fold) report.align_last_two_images "Confidence Plots Across Folds" report.end_section report.add_result(validation_set, [:validation_uri, :validation_report_uri]+VAL_ATTR_CV+VAL_ATTR_REGR-[:num_folds, :dataset_uri, :algorithm_uri], "Results","Results") if (cv_set.unique_value(:num_folds).to_i < cv_set.unique_value(:num_instances).to_i) end task.progress(90) if task report.add_result(validation_set, Validation::ALL_PROPS, "All Results", "All Results") if (cv_set.unique_value(:num_folds).to_i < cv_set.unique_value(:num_instances).to_i) report.add_predictions( validation_set, true ) task.progress(100) if task report end def self.create_report_compare_algorithms(validation_set, params={}, task=nil) #validation_set.to_array([:test_dataset_uri, :model_uri, :algorithm_uri], false).each{|a| puts a.inspect} raise OpenTox::BadRequestError.new("num validations is not >1") unless validation_set.size>1 raise OpenTox::BadRequestError.new("validations must have unique feature type, i.e. must be either all regression, "+ "or all classification validations") unless validation_set.unique_feature_type raise OpenTox::BadRequestError.new("number of different identifiers <2: "+ validation_set.get_values(:identifier).inspect) if validation_set.num_different_values(:identifier)<2 if validation_set.has_nil_values?(:crossvalidation_id) raise OpenTox::BadRequestError.new("algorithm comparison for non crossvalidation not yet implemented") else raise OpenTox::BadRequestError.new("num different cross-validation-ids <2") if validation_set.num_different_values(:crossvalidation_id)<2 validation_set.load_cv_attributes compare_algorithms_crossvalidation(validation_set, params, task) end end # create Algorithm Comparison report # crossvalidations, 1-n datasets, 2-n algorithms def self.compare_algorithms_crossvalidation(validation_set, params={}, task=nil) # groups results into sets with equal dataset if (validation_set.num_different_values(:dataset_uri)>1) LOGGER.debug "compare report -- num different datasets: "+validation_set.num_different_values(:dataset_uri).to_s dataset_grouping = Reports::Util.group(validation_set.validations, [:dataset_uri]) # check if equal values in each group exist Reports::Util.check_group_matching(dataset_grouping, [:crossvalidation_fold, :num_folds, :stratified, :random_seed]) else dataset_grouping = [ validation_set.validations ] end # we only checked that equal validations exist in each dataset group, now check for each identifier dataset_grouping.each do |validations| algorithm_grouping = Reports::Util.group(validations, [:identifier]) Reports::Util.check_group_matching(algorithm_grouping, [:crossvalidation_fold, :num_folds, :stratified, :random_seed]) end pre_load_predictions( validation_set, OpenTox::SubTask.create(task,0,80) ) report = Reports::ReportContent.new("Algorithm comparison report") add_filter_warning(report, validation_set.filter_params) if validation_set.filter_params!=nil if (validation_set.num_different_values(:dataset_uri)>1) all_merged = validation_set.merge([:algorithm_uri, :dataset_uri, :crossvalidation_id, :crossvalidation_uri]) report.add_ranking_plots(all_merged, :algorithm_uri, :dataset_uri, [:percent_correct, :average_area_under_roc, :true_positive_rate, :true_negative_rate] ) report.add_result_overview(all_merged, :algorithm_uri, :dataset_uri, [:percent_correct, :average_area_under_roc, :true_positive_rate, :true_negative_rate]) end result_attributes = [:identifier,:crossvalidation_uri,:crossvalidation_report_uri]+VAL_ATTR_CV-[:crossvalidation_fold,:num_folds,:dataset_uri] case validation_set.unique_feature_type when "classification" result_attributes += VAL_ATTR_CLASS ttest_attributes = VAL_ATTR_TTEST_CLASS box_plot_attributes = VAL_ATTR_BOX_PLOT_CLASS else result_attributes += VAL_ATTR_REGR ttest_attributes = VAL_ATTR_TTEST_REGR box_plot_attributes = VAL_ATTR_BOX_PLOT_REGR end if params[:ttest_attributes] and params[:ttest_attributes].chomp.size>0 ttest_attributes = params[:ttest_attributes].split(",").collect{|a| a.to_sym} end ttest_significance = 0.9 if params[:ttest_significance] ttest_significance = params[:ttest_significance].to_f end box_plot_attributes += ttest_attributes box_plot_attributes.uniq! result_attributes += ttest_attributes result_attributes.uniq! dataset_grouping.each do |validations| set = Reports::ValidationSet.create(validations) dataset = validations[0].dataset_uri merged = set.merge([:identifier, :dataset_uri]) #, :crossvalidation_id, :crossvalidation_uri]) merged.sort(:identifier) merged.validations.each do |v| v.crossvalidation_uri = v.crossvalidation_uri.split(";").uniq.join(" ") v.crossvalidation_report_uri = v.crossvalidation_report_uri.split(";").uniq.join(" ") if v.crossvalidation_report_uri end report.add_section("Dataset: "+dataset) res_titel = "Average Results on Folds" res_text = "These performance statistics have been derieved by computing the mean of the statistics on each crossvalidation fold." report.add_result(merged,result_attributes,res_titel,res_titel,res_text) # pending: regression stats have different scales!!! report.add_box_plot(set, :identifier, box_plot_attributes) report.add_paired_ttest_tables(set, :identifier, ttest_attributes, ttest_significance) if ttest_significance>0 report.end_section end task.progress(100) if task report end def self.create_report_compare_methods(validation_set, params={}, task=nil) raise OpenTox::BadRequestError.new("num validations is not >1") unless validation_set.size>1 raise OpenTox::BadRequestError.new("validations must have unique feature type, i.e. must be either all regression, "+ "or all classification validations") unless validation_set.unique_feature_type raise OpenTox::BadRequestError.new("number of different identifiers <2: "+ validation_set.get_values(:identifier).inspect) if validation_set.num_different_values(:identifier)<2 #validation_set.load_cv_attributes pre_load_predictions( validation_set, OpenTox::SubTask.create(task,0,80) ) report = Reports::ReportContent.new("Method comparison report") add_filter_warning(report, validation_set.filter_params) if validation_set.filter_params!=nil result_attributes = [:identifier,:validation_uri,:validation_report_uri]+VAL_ATTR_CV-[:crossvalidation_fold,:num_folds,:dataset_uri] case validation_set.unique_feature_type when "classification" result_attributes += VAL_ATTR_CLASS box_plot_attributes = VAL_ATTR_BOX_PLOT_CLASS else result_attributes += VAL_ATTR_REGR box_plot_attributes = VAL_ATTR_BOX_PLOT_REGR end merged = validation_set.merge([:identifier]) merged.sort(:identifier) merged.validations.each do |v| v.validation_uri = v.validation_uri.split(";").uniq.join(" ") v.validation_report_uri = v.validation_report_uri.split(";").uniq.join(" ") if v.validation_report_uri end msg = merged.validations.collect{|v| v.identifier+" ("+Lib::MergeObjects.merge_count(v).to_s+"x)"}.join(", ") report.add_result(merged,result_attributes,"Average Results","Results",msg) report.add_box_plot(validation_set, :identifier, box_plot_attributes) report end end