1 files changed, 53 insertions, 0 deletions
diff --git a/nch/08_grid_search.rb b/nch/08_grid_search.rb
new file mode 100755
index 0000000..c5ae2a3
--- /dev/null
+++ b/nch/08_grid_search.rb
@@ -0,0 +1,53 @@
+#!/usr/bin/env ruby
+
+require "./config.rb"
+
+require "bundler"
+Bundler.require
+
+DATA.each do |d|
+  puts ""
+  puts d
+
+  dataset_uri = dataset_uri(d)
+  prediction_feature = prediction_feature(d)
+
+  results = []
+#  skip_ratio = 0.8
+#  random_seed = 3
+  {
+    all_feature_dataset_uri(d)=>"all-pc-features",
+#    new_feature_dataset_uri(d)=>"new-pc-features",
+#    ob_feature_dataset_uri(d)=>"ob-pc-features",
+  }.each do |feature_dataset_uri,f_desc|
+    [ 0.65 ].each do |min_sim| # [0.2,0.4,0.6,0.8]
+      [ 0.0 ].each do |min_train| #[0.0,0.1,0.2]
+
+        puts "\nfeatures #{f_desc}"
+        puts "min_sim #{min_sim}"
+        puts "min_train #{min_train}"
+        
+        params = { :dataset_uri => dataset_uri,
+          :algorithm_uri => File.join($algorithm[:uri],"lazar"),
+          :algorithm_params => "feature_dataset_uri=#{feature_dataset_uri};min_sim=#{min_sim};min_train_performance=#{min_train}",
+          :prediction_feature => prediction_feature,
+          :loo => "uniq", }
+        if defined?(skip_ratio)
+          params[:skip_ratio] = skip_ratio
+          params[:random_seed] = random_seed
+        end
+        cv_uri = wait_for_task(OpenTox::RestClientWrapper.post("http://localhost:8087/validation/crossvalidation/loo",params))
+        cv = OpenTox::Crossvalidation.find(cv_uri)
+        puts "Cross-Validation: "+cv.uri
+        r_square = cv.statistics.metadata[RDF::OT.regressionStatistics.to_s][RDF::OT.rSquare.to_s]
+        unpredicted = cv.statistics.metadata[RDF::OT.numUnpredicted.to_s]
+        puts "r^2 #{r_square}"
+        #      r = OpenTox::CrossvalidationReport.create(cv.uri)
+        #      puts "Report: "+r.uri
+        
+        results << {:min_sim => min_sim, :min_train=>min_train, :cv => cv_uri, :r_square => r_square, :unpredicted => unpredicted, :features => f_desc}#, :report => r.uri}
+        puts results.to_yaml
+      end
+    end
+  end
+end