module OpenTox class Validation field :model_id, type: BSON::ObjectId field :prediction_dataset_id, type: BSON::ObjectId field :crossvalidation_id, type: BSON::ObjectId field :test_dataset_id, type: BSON::ObjectId field :nr_instances, type: Integer field :nr_unpredicted, type: Integer field :predictions, type: Hash def prediction_dataset Dataset.find prediction_dataset_id end def test_dataset Dataset.find test_dataset_id end def model Model::Lazar.find model_id end def self.create model, training_set, test_set, crossvalidation=nil atts = model.attributes.dup # do not modify attributes of the original model atts["_id"] = BSON::ObjectId.new atts[:training_dataset_id] = training_set.id validation_model = model.class.create model.prediction_feature, training_set, atts validation_model.save predictions = validation_model.predict test_set.substances predictions.each{|cid,p| p.delete(:neighbors)} nr_unpredicted = 0 predictions.each do |cid,prediction| if prediction[:value] prediction[:measured] = test_set.values(cid, prediction[:prediction_feature_id]) else nr_unpredicted += 1 end end predictions.select!{|cid,p| p[:value] and p[:measured]} validation = self.new( :model_id => validation_model.id, :test_dataset_id => test_set.id, :nr_instances => test_set.substances.size, :nr_unpredicted => nr_unpredicted, :predictions => predictions#.sort{|a,b| p a; b[3] <=> a[3]} # sort according to confidence ) validation.crossvalidation_id = crossvalidation.id if crossvalidation validation.save validation end end class ClassificationValidation < Validation end class RegressionValidation < Validation end end