module OpenTox module Validation # Leave one out validation class LeaveOneOut < Validation # Create a leave one out validation # @param [OpenTox::Model::Lazar] # @return [OpenTox::Validation::LeaveOneOut] def self.create model raise ArgumentError, "Cannot create leave one out validation for models with supervised feature selection. Please use crossvalidation instead." if model.algorithms[:feature_selection] $logger.debug "#{model.name}: LOO validation started" t = Time.now model.training_dataset.features.collect{|f| f.class}.include?(NominalBioActivity) ? klass = ClassificationLeaveOneOut : klass = RegressionLeaveOneOut loo = klass.new :model_id => model.id predictions = model.predict model.training_dataset.substances predictions.each{|cid,p| p.delete(:neighbors)} predictions.each do |cid,prediction| prediction[:measurements] = model.training_dataset.values(cid, prediction[:prediction_feature_id]) if prediction[:value] predictions.delete(cid) unless prediction[:value] and prediction[:measurements] end predictions.select!{|cid,p| p[:value] and p[:measurements]} loo.predictions = predictions loo.statistics $logger.debug "#{model.name}, LOO validation: #{Time.now-t} seconds" loo end end # Leave one out validation for classification models class ClassificationLeaveOneOut < LeaveOneOut include ClassificationStatistics field :accept_values, type: Array field :confusion_matrix, type: Hash field :weighted_confusion_matrix, type: Hash field :accuracy, type: Hash field :weighted_accuracy, type: Hash field :true_rate, type: Hash field :predictivity, type: Hash field :nr_predictions, type: Hash field :probability_plot_id, type: BSON::ObjectId end # Leave one out validation for regression models class RegressionLeaveOneOut < LeaveOneOut include RegressionStatistics field :rmse, type: Hash field :mae, type: Hash field :r_squared, type: Hash field :within_prediction_interval, type: Hash field :out_of_prediction_interval, type: Hash field :nr_predictions, type: Hash field :warnings, type: Array field :correlation_plot_id, type: BSON::ObjectId end end end