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-rw-r--r--test/validation-classification.rb67
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diff --git a/test/validation-classification.rb b/test/validation-classification.rb
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-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