source: branches/ParameterBinding/HeuristicLab.ExtLibs/HeuristicLab.ALGLIB/2.5.0/ALGLIB-2.5.0/kmeans.cs @ 12547

/*************************************************************************
Copyright (c) 2008, Sergey Bochkanov (ALGLIB project).

>>> SOURCE LICENSE >>>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation (www.fsf.org); either version 2 of the 
License, or (at your option) any later version.

This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
GNU General Public License for more details.

A copy of the GNU General Public License is available at
http://www.fsf.org/licensing/licenses

>>> END OF LICENSE >>>
*************************************************************************/


namespace alglib {
  public class kmeans {
    /*************************************************************************
    k-means++ clusterization

    INPUT PARAMETERS:
        XY          -   dataset, array [0..NPoints-1,0..NVars-1].
        NPoints     -   dataset size, NPoints>=K
        NVars       -   number of variables, NVars>=1
        K           -   desired number of clusters, K>=1
        Restarts    -   number of restarts, Restarts>=1

    OUTPUT PARAMETERS:
        Info        -   return code:
                        * -3, if taskis degenerate (number of distinct points is
                              less than K)
                        * -1, if incorrect NPoints/NFeatures/K/Restarts was passed
                        *  1, if subroutine finished successfully
        C           -   array[0..NVars-1,0..K-1].matrix whose columns store
                        cluster's centers
        XYC         -   array which contains number of clusters dataset points
                        belong to.

      -- ALGLIB --
         Copyright 21.03.2009 by Bochkanov Sergey
    *************************************************************************/
    public static void kmeansgenerate(ref double[,] xy,
        int npoints,
        int nvars,
        int k,
        int restarts,
        ref int info,
        ref double[,] c,
        ref int[] xyc) {
      int i = 0;
      int j = 0;
      double[,] ct = new double[0, 0];
      double[,] ctbest = new double[0, 0];
      double e = 0;
      double ebest = 0;
      double[] x = new double[0];
      double[] tmp = new double[0];
      double[] d2 = new double[0];
      double[] p = new double[0];
      int[] csizes = new int[0];
      bool[] cbusy = new bool[0];
      double v = 0;
      int cclosest = 0;
      double dclosest = 0;
      double[] work = new double[0];
      bool waschanges = new bool();
      bool zerosizeclusters = new bool();
      int pass = 0;
      int i_ = 0;


      //
      // Test parameters
      //
      if (npoints < k | nvars < 1 | k < 1 | restarts < 1) {
        info = -1;
        return;
      }

      //
      // TODO: special case K=1
      // TODO: special case K=NPoints
      //
      info = 1;

      //
      // Multiple passes of k-means++ algorithm
      //
      ct = new double[k - 1 + 1, nvars - 1 + 1];
      ctbest = new double[k - 1 + 1, nvars - 1 + 1];
      xyc = new int[npoints - 1 + 1];
      d2 = new double[npoints - 1 + 1];
      p = new double[npoints - 1 + 1];
      tmp = new double[nvars - 1 + 1];
      csizes = new int[k - 1 + 1];
      cbusy = new bool[k - 1 + 1];
      ebest = AP.Math.MaxRealNumber;
      for (pass = 1; pass <= restarts; pass++) {

        //
        // Select initial centers  using k-means++ algorithm
        // 1. Choose first center at random
        // 2. Choose next centers using their distance from centers already chosen
        //
        // Note that for performance reasons centers are stored in ROWS of CT, not
        // in columns. We'll transpose CT in the end and store it in the C.
        //
        i = AP.Math.RandomInteger(npoints);
        for (i_ = 0; i_ <= nvars - 1; i_++) {
          ct[0, i_] = xy[i, i_];
        }
        cbusy[0] = true;
        for (i = 1; i <= k - 1; i++) {
          cbusy[i] = false;
        }
        if (!selectcenterpp(ref xy, npoints, nvars, ref ct, cbusy, k, ref d2, ref p, ref tmp)) {
          info = -3;
          return;
        }

        //
        // Update centers:
        // 2. update center positions
        //
        while (true) {

          //
          // fill XYC with center numbers
          //
          waschanges = false;
          for (i = 0; i <= npoints - 1; i++) {
            cclosest = -1;
            dclosest = AP.Math.MaxRealNumber;
            for (j = 0; j <= k - 1; j++) {
              for (i_ = 0; i_ <= nvars - 1; i_++) {
                tmp[i_] = xy[i, i_];
              }
              for (i_ = 0; i_ <= nvars - 1; i_++) {
                tmp[i_] = tmp[i_] - ct[j, i_];
              }
              v = 0.0;
              for (i_ = 0; i_ <= nvars - 1; i_++) {
                v += tmp[i_] * tmp[i_];
              }
              if ((double)(v) < (double)(dclosest)) {
                cclosest = j;
                dclosest = v;
              }
            }
            if (xyc[i] != cclosest) {
              waschanges = true;
            }
            xyc[i] = cclosest;
          }

          //
          // Update centers
          //
          for (j = 0; j <= k - 1; j++) {
            csizes[j] = 0;
          }
          for (i = 0; i <= k - 1; i++) {
            for (j = 0; j <= nvars - 1; j++) {
              ct[i, j] = 0;
            }
          }
          for (i = 0; i <= npoints - 1; i++) {
            csizes[xyc[i]] = csizes[xyc[i]] + 1;
            for (i_ = 0; i_ <= nvars - 1; i_++) {
              ct[xyc[i], i_] = ct[xyc[i], i_] + xy[i, i_];
            }
          }
          zerosizeclusters = false;
          for (i = 0; i <= k - 1; i++) {
            cbusy[i] = csizes[i] != 0;
            zerosizeclusters = zerosizeclusters | csizes[i] == 0;
          }
          if (zerosizeclusters) {

            //
            // Some clusters have zero size - rare, but possible.
            // We'll choose new centers for such clusters using k-means++ rule
            // and restart algorithm
            //
            if (!selectcenterpp(ref xy, npoints, nvars, ref ct, cbusy, k, ref d2, ref p, ref tmp)) {
              info = -3;
              return;
            }
            continue;
          }
          for (j = 0; j <= k - 1; j++) {
            v = (double)(1) / (double)(csizes[j]);
            for (i_ = 0; i_ <= nvars - 1; i_++) {
              ct[j, i_] = v * ct[j, i_];
            }
          }

          //
          // if nothing has changed during iteration
          //
          if (!waschanges) {
            break;
          }
        }

        //
        // 3. Calculate E, compare with best centers found so far
        //
        e = 0;
        for (i = 0; i <= npoints - 1; i++) {
          for (i_ = 0; i_ <= nvars - 1; i_++) {
            tmp[i_] = xy[i, i_];
          }
          for (i_ = 0; i_ <= nvars - 1; i_++) {
            tmp[i_] = tmp[i_] - ct[xyc[i], i_];
          }
          v = 0.0;
          for (i_ = 0; i_ <= nvars - 1; i_++) {
            v += tmp[i_] * tmp[i_];
          }
          e = e + v;
        }
        if ((double)(e) < (double)(ebest)) {

          //
          // store partition
          //
          blas.copymatrix(ref ct, 0, k - 1, 0, nvars - 1, ref ctbest, 0, k - 1, 0, nvars - 1);
        }
      }

      //
      // Copy and transpose
      //
      c = new double[nvars - 1 + 1, k - 1 + 1];
      blas.copyandtranspose(ref ctbest, 0, k - 1, 0, nvars - 1, ref c, 0, nvars - 1, 0, k - 1);
    }


    /*************************************************************************
    Select center for a new cluster using k-means++ rule
    *************************************************************************/
    private static bool selectcenterpp(ref double[,] xy,
        int npoints,
        int nvars,
        ref double[,] centers,
        bool[] busycenters,
        int ccnt,
        ref double[] d2,
        ref double[] p,
        ref double[] tmp) {
      bool result = new bool();
      int i = 0;
      int j = 0;
      int cc = 0;
      double v = 0;
      double s = 0;
      int i_ = 0;

      busycenters = (bool[])busycenters.Clone();

      result = true;
      for (cc = 0; cc <= ccnt - 1; cc++) {
        if (!busycenters[cc]) {

          //
          // fill D2
          //
          for (i = 0; i <= npoints - 1; i++) {
            d2[i] = AP.Math.MaxRealNumber;
            for (j = 0; j <= ccnt - 1; j++) {
              if (busycenters[j]) {
                for (i_ = 0; i_ <= nvars - 1; i_++) {
                  tmp[i_] = xy[i, i_];
                }
                for (i_ = 0; i_ <= nvars - 1; i_++) {
                  tmp[i_] = tmp[i_] - centers[j, i_];
                }
                v = 0.0;
                for (i_ = 0; i_ <= nvars - 1; i_++) {
                  v += tmp[i_] * tmp[i_];
                }
                if ((double)(v) < (double)(d2[i])) {
                  d2[i] = v;
                }
              }
            }
          }

          //
          // calculate P (non-cumulative)
          //
          s = 0;
          for (i = 0; i <= npoints - 1; i++) {
            s = s + d2[i];
          }
          if ((double)(s) == (double)(0)) {
            result = false;
            return result;
          }
          s = 1 / s;
          for (i_ = 0; i_ <= npoints - 1; i_++) {
            p[i_] = s * d2[i_];
          }

          //
          // choose one of points with probability P
          // random number within (0,1) is generated and
          // inverse empirical CDF is used to randomly choose a point.
          //
          s = 0;
          v = AP.Math.RandomReal();
          for (i = 0; i <= npoints - 1; i++) {
            s = s + p[i];
            if ((double)(v) <= (double)(s) | i == npoints - 1) {
              for (i_ = 0; i_ <= nvars - 1; i_++) {
                centers[cc, i_] = xy[i, i_];
              }
              busycenters[cc] = true;
              break;
            }
          }
        }
      }
      return result;
    }
  }
}