Package org.data2semantics.exp.molecules

Source Code of org.data2semantics.exp.molecules.Task2Experiment

package org.data2semantics.exp.molecules;

import java.util.ArrayList;
import java.util.Comparator;
import java.util.HashSet;
import java.util.List;
import java.util.Map;
import java.util.Random;
import java.util.Set;

import org.data2semantics.exp.RDFMLExperiment;
import org.data2semantics.exp.utils.KernelExperiment;
import org.data2semantics.exp.utils.RDFGraphKernelExperiment;
import org.data2semantics.exp.utils.RDFOldKernelExperiment;
import org.data2semantics.exp.utils.Result;
import org.data2semantics.exp.utils.ResultsTable;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFGraphKernel;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFIntersectionSubTreeKernel;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFIntersectionTreeEdgeVertexPathKernel;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFIntersectionTreeEdgeVertexPathWithTextKernel;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFWLSubTreeKernel;
import org.data2semantics.proppred.kernels.rdfgraphkernels.RDFWLSubTreeWithTextKernel;
import org.data2semantics.proppred.learners.evaluation.Accuracy;
import org.data2semantics.proppred.learners.evaluation.EvaluationFunction;
import org.data2semantics.proppred.learners.evaluation.EvaluationUtils;
import org.data2semantics.proppred.learners.evaluation.F1;
import org.data2semantics.proppred.learners.liblinear.LibLINEARParameters;
import org.data2semantics.proppred.learners.libsvm.LibSVMParameters;
import org.data2semantics.tools.rdf.RDFFileDataSet;
import org.nodes.DTGraph;
import org.nodes.DTNode;
import org.nodes.algorithms.SlashBurn;
import org.nodes.util.MaxObserver;
import org.openrdf.model.Resource;
import org.openrdf.model.Statement;
import org.openrdf.model.Value;
import org.openrdf.model.vocabulary.RDF;
import org.openrdf.rio.RDFFormat;

public class Task2Experiment extends RDFMLExperiment {
  private static String dataFile = "C:\\Users\\Gerben\\Dropbox\\D2S\\Task2\\LDMC_Task2_train.ttl";
 
  public static void main(String[] args) {
    for (int i = 0; i < args.length; i++) {
      if (args[i].equals("-file")) {
        i++;
        dataFile = args[i];
      }
    } 
   
    createTask2DataSet(1,11);

    long[] seeds = {11,21,31,41,51,61,71,81,91,101};
    double[] cs = {0.0001, 0.001, 0.01, 0.1, 1, 10, 100, 1000, 10000}

    int[] depths = {1,2,3};
    int[] iterations = {0,2,4,6};

   
   
    List<EvaluationFunction> evalFuncs = new ArrayList<EvaluationFunction>();
    evalFuncs.add(new Accuracy());
    evalFuncs.add(new F1());

    List<Double> target = EvaluationUtils.createTarget(labels);

    LibLINEARParameters linParms = new LibLINEARParameters(LibLINEARParameters.SVC_DUAL, cs);
    linParms.setEvalFunction(new Accuracy());
    linParms.setDoCrossValidation(true);
    linParms.setNumFolds(10);
   
    Map<Double, Double> counts = EvaluationUtils.computeClassCounts(target);
    int[] wLabels = new int[counts.size()];
    double[] weights = new double[counts.size()];

    for (double label : counts.keySet()) {
      wLabels[(int) label - 1] = (int) label;
      weights[(int) label - 1] = 1 / counts.get(label);
    }
    linParms.setWeightLabels(wLabels);
    linParms.setWeights(weights);
   

    LibSVMParameters svmParms = new LibSVMParameters(LibSVMParameters.C_SVC, cs);
    svmParms.setNumFolds(10);
   
   

    ResultsTable resTable = new ResultsTable();
    resTable.setManWU(0.05);
    resTable.setDigits(2);

    boolean inference = false;
    boolean forward = true;



   
    DTGraph<String,String> sGraph = org.nodes.data.RDF.createDirectedGraph(dataset.getStatements(null, null, null, inference), null, null);
    List<DTNode<String,String>> hubs = SlashBurn.getHubs(sGraph, 1, true);
   
    Comparator<DTNode<String,String>> comp = new SlashBurn.SignatureComparator<String,String>();
    MaxObserver<DTNode<String,String>> obs = new MaxObserver<DTNode<String,String>>(hubs.size(), comp);   
    obs.observe(sGraph.nodes());
   
    List<DTNode<String,String>> degreeHubs = new ArrayList<DTNode<String,String>>(obs.elements());
   
    // Remove hubs from list that are root nodes
    List<DTNode<String,String>> rn = new ArrayList<DTNode<String,String>>();
    Set<String> is = new HashSet<String>();
    for (Resource r : instances) {
      is.add(r.toString());
    }
    for (DTNode<String,String> hub : hubs) {
      if (is.contains(hub.label())) {
        rn.add(hub);
      }
    }
    hubs.removeAll(rn);       
    degreeHubs.removeAll(rn);
   
    System.out.println("Total SB hubs: " + hubs.size());
    System.out.println(hubs)
    System.out.println(degreeHubs);
   
    for (int i = 0; i < degreeHubs.size() && i < hubs.size(); i++) {
      if (!hubs.get(i).equals(degreeHubs.get(i))) {
        System.out.println(i + " " + hubs.get(i).label() + " " + degreeHubs.get(i).label());
      }
    }
   
   
    /*
    Map<String,Integer> dMap  = GraphUtils.createDegreeHubMap(degreeHubs, 300);
    Map<String,Integer> sbMap = GraphUtils.createHubMap(hubs, 300);
   
    for (String k : dMap.keySet()) {
      int l = dMap.get(k);
      if (sbMap.get(k) != l) {
        System.out.println("fail in level: " + l + " " + sbMap.get(k));
      }
     
    }
    */
   
   
    //int[] hf = {0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20};
   
    int[] hf = {1,10};

   
   
   
    ///*
    for (int i : depths) {     
      resTable.newRow("RDF WL forward");
      for (int it : iterations) {
        RDFWLSubTreeKernel k = new RDFWLSubTreeKernel(it, i, inference, true, forward, false);
       
        //KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(k, seeds, linParms, dataset, instances, target, blackList, evalFuncs);
        KernelExperiment<RDFGraphKernel> exp = new RDFGraphKernelExperiment(k, seeds, svmParms, dataset, instances, target, blackList, evalFuncs);


        System.out.println("Running WL RDF fwd: " + i + " " + it);
        exp.run();

        for (Result res : exp.getResults()) {
          resTable.addResult(res);
       
      }
    }
    resTable.addCompResults(resTable.getBestResults());
    //resTable.addCompResults(table2.getBestResults());
    System.out.println(resTable);
   
   
    //*/

    for (int h : hf) {
      for (int i : depths) {     
        resTable.newRow("RDF WL forward Degree " + h);
        for (int it : iterations) {
          RDFWLSubTreeSlashBurnKernel k = new RDFWLSubTreeSlashBurnKernel(it, i, inference, true, forward);
          k.setHubMap(GraphUtils.createHubMap(degreeHubs, h));

          //KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(k, seeds, linParms, dataset, instances, target, blackList, evalFuncs);
          KernelExperiment<RDFGraphKernel> exp = new RDFGraphKernelExperiment(k, seeds, svmParms, dataset, instances, target, blackList, evalFuncs);


          System.out.println("Running WL RDF fwd Degree: " + i + " " + it + " " + h);
          exp.run();

          for (Result res : exp.getResults()) {
            resTable.addResult(res);
         
        }
      }
      resTable.addCompResults(resTable.getBestResults());
      //resTable.addCompResults(table2.getBestResults());
      System.out.println(resTable);
    }
   
   

    ///*
    for (int h : hf) {
      for (int i : depths) {     
        resTable.newRow("RDF WL forward SB " + h);
        for (int it : iterations) {
          RDFWLSubTreeSlashBurnKernel k = new RDFWLSubTreeSlashBurnKernel(it, i, inference, true, forward);
          k.setHubMap(GraphUtils.createHubMap(hubs, h));

          //KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(k, seeds, linParms, dataset, instances, target, blackList, evalFuncs);
          KernelExperiment<RDFGraphKernel> exp = new RDFGraphKernelExperiment(k, seeds, svmParms, dataset, instances, target, blackList, evalFuncs);


          System.out.println("Running WL RDF fwd SB: " + i + " " + it + " " + h);
          exp.run();

          for (Result res : exp.getResults()) {
            resTable.addResult(res);
         
        }
      }
      resTable.addCompResults(resTable.getBestResults());
      //resTable.addCompResults(table2.getBestResults());
      System.out.println(resTable);
    }
   
    //*/


    /*
    for (int h : hf) {
      for (int i : depths) {     
        resTable.newRow("RDF IST SB " + h);
          RDFIntersectionSubTreeSlashBurnKernel k = new RDFIntersectionSubTreeSlashBurnKernel(i, 1, inference, true);
          k.setHubThreshold(h);

          //KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(k, seeds, linParms, dataset, instances, target, blackList, evalFuncs);
          KernelExperiment<RDFGraphKernel> exp = new RDFGraphKernelExperiment(k, seeds, svmParms, dataset, instances, target, blackList, evalFuncs);


          System.out.println("Running RDF IST SB: " + i + " " + h);
          exp.run();

          for (Result res : exp.getResults()) {
            resTable.addResult(res);
          } 
        }
    }
    System.out.println(resTable);
    //*/

   
   
    /*
    for (int i : depths) {     
      for (int it : iterations) {
        resTable.newRow("RDF WL reverse");

        KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(new RDFWLSubTreeKernel(it, i, inference, true, true, false), seeds, linParms, dataset, instances, target, blackList, evalFuncs);

        System.out.println("Running WL RDF rev: " + i + " " + it);
        exp.run();

        for (Result res : exp.getResults()) {
          resTable.addResult(res);
        } 
      }
    }
    System.out.println(resTable);

    for (int i : depths) {     
      for (int it : iterations) {
        resTable.newRow("RDF WL Bi");

        KernelExperiment<RDFFeatureVectorKernel> exp = new RDFLinearKernelExperiment(new RDFWLBiSubTreeKernel(it, i, inference, true), seeds, linParms, dataset, instances, target, blackList, evalFuncs);

        System.out.println("Running WL RDF Bi: " + i + " " + it);
        exp.run();

        for (Result res : exp.getResults()) {
          resTable.addResult(res);
        } 
      }
    }
    System.out.println(resTable);
  //*/



    resTable.addCompResults(resTable.getBestResults());
    //resTable.addCompResults(table2.getBestResults());
    System.out.println(resTable);



  }



  private static void createTask2DataSet(double fraction, long seed) {
    RDFFileDataSet d = new RDFFileDataSet(dataFile, RDFFormat.TURTLE);

    dataset = d;

    Random rand = new Random(seed);



    List<Statement> stmts = dataset.getStatementsFromStrings(null, RDF.TYPE.toString(), "http://purl.org/procurement/public-contracts#Contract");
    instances = new ArrayList<Resource>();
    labels = new ArrayList<Value>();
    blackList = new ArrayList<Statement>();

    for(Statement stmt: stmts) {
      List<Statement> stmts2 = dataset.getStatementsFromStrings(stmt.getSubject().toString(), "http://example.com/multicontract", null);

      for (Statement stmt2 : stmts2) {

        if (rand.nextDouble() < fraction) {
          instances.add(stmt2.getSubject());
          labels.add(stmt2.getObject());
        }
      }
    }

    removeSmallClasses(5);
    createBlackList();

    System.out.println(EvaluationUtils.computeClassCounts(EvaluationUtils.createTarget(labels)));
  }
}
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