# Do a 10-fold crossvalidation # # Author: Andreas Maunz, David Vorgrimmler # # @params: Dataset_name(see dataset.yaml), pc_type(electronic,cpsa or constitutional ... or nil to disable), prediction_algorithm(local_mlr_prop or local_svm_regression ...), algo_params (e.g. ;param_name1=param_value1;param_name2=param_value2 or nil), random_seed (1, 2, ... or 10), path (e.g. ../data/dataset.yaml) require 'rubygems' require 'opentox-ruby' require 'yaml' if ARGV.size != 6 puts "Args: ds_name, pc_type, algo, algo_params, random_seed, path/to/dataset.yaml" puts ARGV.size exit end #ds_file = "datasets.yaml" #pwd=`pwd` #path = "#{pwd.chop}/../data/#{ds_file}" path = ARGV[5] ds_file = path.split("/").last if File.exists?(path) puts "[#{Time.now.utc.iso8601(4).to_s}] #{ds_file} exists." else puts "#{ds_file} does not exist." exit end subjectid = nil ds_name = ARGV[0] # e.g. MOU pc_type = ARGV[1] # e.g. electronic,cpsa or nil to disable algo = ARGV[2] # e.g. local_svm_regression, local_mlr_prop user_algo_params = ARGV[3] #e.g. ;param_name1=param_value1;param_name2=param_value2 r_seed = ARGV[4] # 1, 2, ..., 10 ds = YAML::load_file("#{path}") ds_uri = ds[ds_name]["dataset"] pc_ds_uri = ds[ds_name][pc_type] algo_params = "prediction_algorithm=#{algo}" algo_params += ";pc_type=#{pc_type}" unless (pc_type == "nil") || (pc_ds_uri.include? 'pc_type') algo_params += ";feature_dataset_uri=#{pc_ds_uri}" unless (pc_type == "nil") || (pc_ds_uri.include? 'feature_dataset_uri') algo_params += "#{user_algo_params}" unless user_algo_params == "nil" #algo_params += ";min_chisq_significance=0.9" #algo_params += ";min_frequency=6" #algo_params += ";feature_type=trees" puts "[#{Time.now.utc.iso8601(4).to_s}] #{algo_params.to_yaml}" prediction_feature = OpenTox::Dataset.find(ds_uri).features.keys.first # Ready cv_args = {} cv_args[:dataset_uri] = ds_uri cv_args[:prediction_feature] = prediction_feature cv_args[:algorithm_uri] = "http://toxcreate3.in-silico.ch:8085/algorithm/lazar" cv_args[:algorithm_params] = algo_params cv_args[:loo] = true puts "[#{Time.now.utc.iso8601(4).to_s}] #{cv_args.to_yaml}" loo = OpenTox::RestClientWrapper.post( File.join(CONFIG[:services]["opentox-validation"],"crossvalidation/loo"), cv_args ) puts "[#{Time.now.utc.iso8601(4).to_s}] #{loo}" cvr = OpenTox::CrossvalidationReport.create( loo , subjectid).uri puts "[#{Time.now.utc.iso8601(4).to_s}] #{cvr}"