Changeset 14291

Timestamp:

09/19/16 17:46:47 (3 years ago)

Author:

gkronber

Message:

#2660: changed calculation of variable relevance values for variable interaction networks based on sampling Gaussian processes.
Instead of taking inverse length scale (ARD). We calculate the deviation from the original function (y) after individual variables are removed (y').

File:

• trunk/sources/HeuristicLab.Problems.Instances.DataAnalysis/3.3/Regression/VariableNetworks/VariableNetwork.cs (modified) (4 diffs)

trunk/sources/HeuristicLab.Problems.Instances.DataAnalysis/3.3/Regression/VariableNetworks/VariableNetwork.cs

@@ -26 +26 @@
 using HeuristicLab.Common;
 using HeuristicLab.Core;
+using HeuristicLab.Problems.DataAnalysis;
 using HeuristicLab.Random;
 
@@ -195 +196 @@
       int nl = xs.Length;
       int nRows = xs.First().Count;
-      double[,] K = new double[nRows, nRows];
-
-      // sample length-scales
+
+      // sample u iid ~ N(0, 1)
+      var u = Enumerable.Range(0, nRows).Select(_ => NormalDistributedRandom.NextDouble(random, 0, 1)).ToArray();
+
+      // sample actual length-scales
       var l = Enumerable.Range(0, nl)
         .Select(_ => random.NextDouble() * 2 + 0.5)
         .ToArray();
-      // calculate covariance matrix
+
+      double[,] K = CalculateCovariance(xs, l);
+
+      // decompose
+      alglib.trfac.spdmatrixcholesky(ref K, nRows, false);
+
+
+      // calc y = Lu
+      var y = new double[u.Length];
+      alglib.ablas.rmatrixmv(nRows, nRows, K, 0, 0, 0, u, 0, ref y, 0);
+
+      // calculate relevance by removing dimensions
+      relevance = CalculateRelevance(y, u, xs, l);
+
+
+      // calculate variable relevance
+      // as per Rasmussen and Williams "Gaussian Processes for Machine Learning" page 106:
+      // ,,For the squared exponential covariance function [...] the l1, ..., lD hyperparameters
+      // play the role of characteristic length scales [...]. Such a covariance function implements 
+      // automatic relevance determination (ARD) [Neal, 1996], since the inverse of the length-scale 
+      // determines how relevant an input is: if the length-scale has a very large value, the covariance 
+      // will become almost independent of that input, effectively removing it from inference.''
+      // relevance = l.Select(li => 1.0 / li).ToArray();
+
+      return y;
+    }
+
+    // calculate variable relevance based on removal of variables
+    //  1) to remove a variable we set it's length scale to infinity (no relation of the variable value to the target)
+    //  2) calculate MSE of the original target values (y) to the updated targes y' (after variable removal)
+    //  3) relevance is larger if MSE(y,y') is large
+    //  4) scale impacts so that the most important variable has impact = 1
+    private double[] CalculateRelevance(double[] y, double[] u, List<double>[] xs, double[] l) {
+      int nRows = xs.First().Count;
+      var changedL = new double[l.Length];
+      var relevance = new double[l.Length];
+      for (int i = 0; i < l.Length; i++) {
+        Array.Copy(l, changedL, changedL.Length);
+        changedL[i] = double.MaxValue;
+        var changedK = CalculateCovariance(xs, changedL);
+
+        var yChanged = new double[u.Length];
+        alglib.ablas.rmatrixmv(nRows, nRows, changedK, 0, 0, 0, u, 0, ref yChanged, 0);
+
+        OnlineCalculatorError error;
+        var mse = OnlineMeanSquaredErrorCalculator.Calculate(y, yChanged, out error);
+        if (error != OnlineCalculatorError.None) mse = double.MaxValue;
+        relevance[i] = mse;
+      }
+      // scale so that max relevance is 1.0
+      var maxRel = relevance.Max();
+      for (int i = 0; i < relevance.Length; i++) relevance[i] /= maxRel;
+      return relevance;
+    }
+
+    private double[,] CalculateCovariance(List<double>[] xs, double[] l) {
+      int nRows = xs.First().Count;
+      double[,] K = new double[nRows, nRows];
       for (int r = 0; r < nRows; r++) {
         double[] xi = xs.Select(x => x[r]).ToArray();
@@ -213 +273 @@
         }
       }
-
       // add a small diagonal matrix for numeric stability
       for (int i = 0; i < nRows; i++) {
@@ -219 +278 @@
       }
 
-      // decompose
-      alglib.trfac.spdmatrixcholesky(ref K, nRows, false);
-
-      // sample u iid ~ N(0, 1)
-      var u = Enumerable.Range(0, nRows).Select(_ => NormalDistributedRandom.NextDouble(random, 0, 1)).ToArray();
-
-      // calc y = Lu
-      var y = new double[u.Length];
-      alglib.ablas.rmatrixmv(nRows, nRows, K, 0, 0, 0, u, 0, ref y, 0);
-
-      // calculate variable relevance
-      // as per Rasmussen and Williams "Gaussian Processes for Machine Learning" page 106:
-      // ,,For the squared exponential covariance function [...] the l1, ..., lD hyperparameters
-      // play the role of characteristic length scales [...]. Such a covariance function implements 
-      // automatic relevance determination (ARD) [Neal, 1996], since the inverse of the length-scale 
-      // determines how relevant an input is: if the length-scale has a very large value, the covariance 
-      // will become almost independent of that input, effectively removing it from inference.''
-      relevance = l.Select(li => 1.0 / li).ToArray();
-
-      return y;
+      return K;
     }
   }