require_relative "setup.rb" class ValidationClassificationTest < MiniTest::Test include OpenTox::Validation # defaults def test_default_classification_crossvalidation dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" model = Model::Lazar.create training_dataset: dataset cv = ClassificationCrossValidation.create model assert cv.accuracy > 0.7, "Accuracy (#{cv.accuracy}) should be larger than 0.7, this may occur due to an unfavorable training/test set split" assert cv.weighted_accuracy > cv.accuracy, "Weighted accuracy (#{cv.weighted_accuracy}) should be larger than accuracy (#{cv.accuracy})." File.open("/tmp/tmp.pdf","w+"){|f| f.puts cv.probability_plot(format:"pdf")} p `file -b /tmp/tmp.pdf` File.open("/tmp/tmp.png","w+"){|f| f.puts cv.probability_plot(format:"png")} p `file -b /tmp/tmp.png` end # parameters def test_classification_crossvalidation_parameters dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" algorithms = { :similarity => { :min => 0.3, }, :descriptors => { :type => "FP3" } } model = Model::Lazar.create training_dataset: dataset, algorithms: algorithms cv = ClassificationCrossValidation.create model params = model.algorithms params = Hash[params.map{ |k, v| [k.to_s, v] }] # convert symbols to string cv.validations.each do |validation| validation_params = validation.model.algorithms refute_nil model.training_dataset_id refute_nil validation.model.training_dataset_id refute_equal model.training_dataset_id, validation.model.training_dataset_id ["min_sim","type","prediction_feature_id"].each do |k| assert_equal params[k], validation_params[k] end end end # LOO def test_classification_loo_validation dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" model = Model::Lazar.create training_dataset: dataset loo = ClassificationLeaveOneOut.create model assert_equal 24, loo.nr_unpredicted refute_empty loo.confusion_matrix assert loo.accuracy > 0.77 assert loo.weighted_accuracy > loo.accuracy, "Weighted accuracy (#{loo.weighted_accuracy}) should be larger than accuracy (#{loo.accuracy})." end # repeated CV def test_repeated_crossvalidation dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" model = Model::Lazar.create training_dataset: dataset repeated_cv = RepeatedCrossValidation.create model repeated_cv.crossvalidations.each do |cv| assert_operator cv.accuracy, :>, 0.7, "model accuracy < 0.7, this may happen by chance due to an unfavorable training/test set split" end end end