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# Scaling.cpp

    00001 /*
    00002  *             Copyright (C) 2005 Maarten Keijzer
    00003  *
    00004  *          This program is free software; you can redistribute it and/or modify
    00005  *          it under the terms of version 2 of the GNU General Public License as
    00006  *          published by the Free Software Foundation.
    00007  *
    00008  *          This program is distributed in the hope that it will be useful,
    00009  *          but WITHOUT ANY WARRANTY; without even the implied warranty of
    00010  *          MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    00011  *          GNU General Public License for more details.
    00012  *
    00013  *          You should have received a copy of the GNU General Public License
    00014  *          along with this program; if not, write to the Free Software
    00015  *          Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
    00016  */
    00017
    00018 #include "Scaling.h"
    00019 #include "TargetInfo.h"
    00020
    00021 using namespace std;
    00022
    00023 Scaling slope(const std::valarray<double>& x, const TargetInfo& targets) {
    00024
    00025     double xx = 0.0;
    00026     double xy = 0.0;
    00027
    00028     const valarray<double>& y = targets.targets();
    00029
    00030     for (unsigned i = 0; i < x.size(); ++i) {
    00031         xx += x[i] * x[i];
    00032         xy += x[i] * y[i];
    00033     }
    00034
    00035     if (xx < 1e-7) return Scaling(new LinearScaling(0.0,0.0));
    00036
    00037     double b = xy / xx;
    00038
    00039     return Scaling(new LinearScaling(0.0, b));
    00040
    00041 }
    00042
    00043 // Still needs proper testing with non-trivial lambda
    00044 Scaling regularized_least_squares(const std::valarray<double>& inputs, const TargetInfo& targets, double lambda) {
    00045
    00046     double n = inputs.size();
    00047
    00048     valarray<double> x = inputs;
    00049
    00050     double a,b,d;
    00051     a=b=d=0;
    00052
    00053     for (unsigned i = 0; i < n; ++i) {
    00054         a += 1 + lambda;
    00055         b += x[i];
    00056         d += x[i] * x[i] + lambda;
    00057     }
    00058
    00059     //invert
    00060
    00061     double ad_bc = a*d - b * b;
    00062     // if ad_bc equals zero there's a problem
    00063
    00064     if (ad_bc < 1e-17) return Scaling(new LinearScaling);
    00065
    00066     double ai = d/ad_bc;
    00067     double bi = -b/ad_bc;
    00068     double di = a/ad_bc;
    00069     double ci = bi;
    00070
    00071     // Now multiply this inverted covariance matrix (C^-1) with x' * t
    00072
    00073     std::valarray<double> ones = x;
    00074
    00075     // calculate C^-1 * x' )
    00076     for (unsigned i = 0; i < n; ++i)
    00077     {
    00078         ones[i] = (ai + bi * x[i]);
    00079         x[i]    = (ci + di * x[i]);
    00080     }
    00081
    00082     // results are in [ones, x], now multiply with y
    00083
    00084     a = 0.0; // intercept
    00085     b = 0.0; // slope
    00086
    00087     const valarray<double>& t = targets.targets();
    00088
    00089     for (unsigned i = 0; i < n; ++i)
    00090     {
    00091         a += ones[i] * t[i];
    00092         b += x[i] * t[i];
    00093     }
    00094
    00095     return Scaling(new LinearScaling(a,b));
    00096 }
    00097
    00098 Scaling ols(const std::valarray<double>& y, const std::valarray<double>& t) {
    00099     double n = y.size();
    00100
    00101     double y_mean = y.sum() / n;
    00102     double t_mean = t.sum() / n;
    00103
    00104     std::valarray<double> y_var = (y - y_mean);
    00105     std::valarray<double> t_var = (t - t_mean);
    00106     std::valarray<double> cov = t_var * y_var;
    00107
    00108     y_var *= y_var;
    00109     t_var *= t_var;
    00110
    00111     double sumvar = y_var.sum();
    00112
    00113     if (sumvar == 0. || sumvar/n < 1e-7 || sumvar/n > 1e+7) // breakout when numerical problems are likely
    00114         return Scaling(new LinearScaling(t_mean,0.));
    00115
    00116
    00117     double b = cov.sum() / sumvar;
    00118     double a = t_mean - b * y_mean;
    00119
    00120     Scaling s = Scaling(new LinearScaling(a,b));
    00121
    00122     return s;
    00123 }
    00124
    00125 Scaling ols(const std::valarray<double>& y, const TargetInfo& targets) {
    00126     double n = y.size();
    00127
    00128     double y_mean = y.sum() / n;
    00129
    00130     std::valarray<double> y_var = (y - y_mean);
    00131     std::valarray<double> cov = targets.tcov_part() * y_var;
    00132
    00133     y_var *= y_var;
    00134
    00135     double sumvar = y_var.sum();
    00136
    00137     if (sumvar == 0. || sumvar/n < 1e-7 || sumvar/n > 1e+7) // breakout when numerical problems are likely
    00138         return Scaling(new LinearScaling(targets.tmean(),0.));
    00139
    00140
    00141     double b = cov.sum() / sumvar;
    00142     double a = targets.tmean() - b * y_mean;
    00143
    00144     if (!finite(b)) {
    00145
    00146         cout << a << ' ' << b << endl;
    00147         cout << sumvar << endl;
    00148         cout << y_mean << endl;
    00149         cout << cov.sum() << endl;
    00150         exit(1);
    00151     }
    00152
    00153     Scaling s = Scaling(new LinearScaling(a,b));
    00154
    00155     return s;
    00156 }
    00157
    00158
    00159 Scaling wls(const std::valarray<double>& inputs, const TargetInfo& targets) {
    00160
    00161     std::valarray<double> x = inputs;
    00162     const std::valarray<double>& w = targets.weights();
    00163
    00164     unsigned n = x.size();
    00165     // First calculate x'*W (as W is a diagonal matrix it's simply elementwise multiplication
    00166     std::valarray<double> wx = targets.weights() * x;
    00167
    00168     // Now x'*W is contained in [w,wx], calculate x' * W * x (the covariance)
    00169     double a,b,d;
    00170     a=b=d=0.0;
    00171
    00172     for (unsigned i = 0; i < n; ++i)
    00173     {
    00174         a += w[i];
    00175         b += wx[i];
    00176         d += x[i] * wx[i];
    00177     }
    00178
    00179     //invert
    00180
    00181     double ad_bc = a*d - b * b;
    00182     // if ad_bc equals zero there's a problem
    00183
    00184     if (ad_bc < 1e-17) return Scaling(new LinearScaling);
    00185
    00186     double ai = d/ad_bc;
    00187     double bi = -b/ad_bc;
    00188     double di = a/ad_bc;
    00189     double ci = bi;
    00190
    00191     // Now multiply this inverted covariance matrix (C^-1) with x' * W * y
    00192
    00193     // create alias to reuse the wx we do not need anymore
    00194     std::valarray<double>& ones = wx;
    00195
    00196     // calculate C^-1 * x' * W (using the fact that W is diagonal)
    00197     for (unsigned i = 0; i < n; ++i)
    00198     {
    00199         ones[i] = w[i]*(ai + bi * x[i]);
    00200         x[i]    = w[i]*(ci + di * x[i]);
    00201     }
    00202
    00203     // results are in [ones, x], now multiply with y
    00204
    00205     a = 0.0; // intercept
    00206     b = 0.0; // slope
    00207
    00208     const valarray<double>& t = targets.targets();
    00209
    00210     for (unsigned i = 0; i < n; ++i)
    00211     {
    00212         a += ones[i] * t[i];
    00213         b += x[i] * t[i];
    00214     }
    00215
    00216     return Scaling(new LinearScaling(a,b));
    00217 }
    00218
    00219
    00220 //Scaling med(const std::valarray<double>& inputs, const TargetInfo& targets);
    00221
    00222 double mse(const std::valarray<double>& y, const TargetInfo& t) {
    00223
    00224     valarray<double> residuals = t.targets()-y;
    00225     residuals *= residuals;
    00226     double sz = residuals.size();
    00227     if (t.has_weights()) {
    00228         residuals *= t.weights();
    00229         sz = 1.0;
    00230     }
    00231
    00232     return residuals.sum() / sz;
    00233 }
    00234
    00235 double rms(const std::valarray<double>& y, const TargetInfo& t) {
    00236     return sqrt(mse(y,t));
    00237 }
    00238
    00239 double mae(const std::valarray<double>& y, const TargetInfo& t) {
    00240     valarray<double> residuals = abs(t.targets()-y);
    00241     if (t.has_weights()) residuals *= t.weights();
    00242     return residuals.sum() / residuals.size();
    00243 }
    00244
    00245
    00246 /*
    00247     double standard_error(const std::valarray<double>& y, const std::pair<double,double>& scaling) {
    00248         double a = scaling.first;
    00249         double b = scaling.second;
    00250         double n = y.size();
    00251         double se = sqrt( pow(a+b*y-current_set->targets,2.0).sum() / (n-2));
    00252
    00253         double mean_y = y.sum() / n;
    00254         double sxx = pow( y - mean_y, 2.0).sum();
    00255
    00256         return se / sqrt(sxx);
    00257     }
    00258
    00259     double scaled_mse(const std::valarray<double>& y){
    00260         std::pair<double,double> scaling;
    00261         return scaled_mse(y,scaling);
    00262     }
    00263
    00264     double scaled_mse(const std::valarray<double>& y, std::pair<double, double>& scaling)
    00265     {
    00266         scaling = scale(y);
    00267
    00268         double a = scaling.first;
    00269         double b = scaling.second;
    00270
    00271         std::valarray<double> tmp = current_set->targets - a - b * y;
    00272         tmp *= tmp;
    00273
    00274         if (weights.size())
    00275             return (weights * tmp).sum();
    00276
    00277         return tmp.sum() / tmp.size();
    00278     }
    00279
    00280     double robust_mse(const std::valarray<double>& ny, std::pair<double, double>& scaling) {
    00281
    00282         double smse = scaled_mse(ny,scaling);
    00283
    00284         std::valarray<double> y = ny;
    00285         // find maximum covariance case
    00286         double n = y.size();
    00287
    00288         int largest = 0;
    00289
    00290         {
    00291             double y_mean = y.sum() / n;
    00292
    00293             std::valarray<double> y_var = (y - y_mean);
    00294             std::valarray<double> cov = tcov * y_var;
    00295
    00296             std::valarray<bool> maxcov = cov == cov.max();
    00297
    00298             for (unsigned i = 0; i < maxcov.size(); ++i) {
    00299                 if (maxcov[i]) {
    00300                     largest = i;
    00301                     break;
    00302                 }
    00303             }
    00304         }
    00305
    00306         double y_mean = (y.sum() - y[largest]) / (n-1);
    00307         y[largest] = y_mean; // dissappears from covariance calculation
    00308
    00309         std::valarray<double> y_var = (y - y_mean);
    00310         std::valarray<double> cov = tcov * y_var;
    00311         y_var *= y_var;
    00312
    00313         double sumvar = y_var.sum();
    00314
    00315         if (sumvar == 0. || sumvar/n < 1e-7 || sumvar/n > 1e+7) // breakout when numerical problems are likely
    00316             return worst_performance();
    00317
    00318         double b = cov.sum() / sumvar;
    00319         double a = tmean - b * y_mean;
    00320
    00321         std::valarray<double> tmp = current_set->targets - a - b * y;
    00322         tmp[largest] = 0.0;
    00323         tmp *= tmp;
    00324
    00325         double smse2 = tmp.sum() / (tmp.size()-1);
    00326
    00327         static std::ofstream os("smse.txt");
    00328         os << smse << ' ' << smse2 << '\n';
    00329
    00330         if (smse2 > smse) {
    00331             return worst_performance();
    00332             //std::cerr << "overfit? " << smse << ' ' << smse2 << '\n';
    00333         }
    00334
    00335         scaling.first = a;
    00336         scaling.second = b;
    00337
    00338         return smse2;
    00339     }
    00340
    00341     class Sorter {
    00342         const std::valarray<double>& scores;
    00343         public:
    00344             Sorter(const std::valarray<double>& _scores) : scores(_scores) {}
    00345
    00346             bool operator()(unsigned i, unsigned j) const {
    00347                 return scores[i] < scores[j];
    00348             }
    00349     };
    00350
    00351     double coc(const std::valarray<double>& y) {
    00352         std::vector<unsigned> indices(y.size());
    00353         for (unsigned i = 0; i < y.size(); ++i) indices[i] = i;
    00354         std::sort(indices.begin(), indices.end(), Sorter(y));
    00355
    00356         const std::valarray<double>& targets = current_set->targets;
    00357
    00358         double neg = 1.0 - targets[indices[0]];
    00359         double pos = targets[indices[0]];
    00360
    00361         double cumpos = 0;
    00362         double cumneg = 0;
    00363         double sum=0;
    00364
    00365         double last_score = y[indices[0]];
    00366
    00367         for(unsigned i = 1; i < targets.size(); ++i) {
    00368
    00369             if (fabs(y[indices[i]] - last_score) < 1e-9) { // we call it tied
    00370                 pos += targets[indices[i]];
    00371                 neg += 1.0 - targets[indices[i]];
    00372
    00373                 if (i < targets.size()-1)
    00374                     continue;
    00375             }
    00376             sum += pos * cumneg + (pos * neg) * 0.5;
    00377             cumneg += neg;
    00378             cumpos += pos;
    00379             pos = targets[indices[i]];
    00380             neg = 1.0 - targets[indices[i]];
    00381             last_score = y[indices[i]];
    00382         }
    00383
    00384         return sum / (cumneg * cumpos);
    00385     }
    00386
    00387     // iterative re-weighted least squares (for parameters.classification)
    00388     double irls(const std::valarray<double>& scores, std::pair<double,double>& scaling) {
    00389         const std::valarray<double>& t = current_set->targets;
    00390
    00391         std::valarray<double> e(scores.size());
    00392         std::valarray<double> u(scores.size());
    00393         std::valarray<double> w(scores.size());
    00394         std::valarray<double> z(scores.size());
    00395
    00396         parameters.use_irls = false; parameters.classification=false;
    00397         scaling = scale(scores);
    00398         parameters.use_irls=true;parameters.classification=true;
    00399
    00400         if (scaling.second == 0.0) return worst_performance();
    00401
    00402         for (unsigned i = 0; i < 10; ++i) {
    00403             e = exp(scaling.first + scaling.second*scores);
    00404             u = e / (e + exp(-(scaling.first + scaling.second * scores)));
    00405             w = u*(1.-u);
    00406             z = (t-u)/w;
    00407             scaling = wls(scores, u, w);
    00408             //double ll = (log(u)*t + (1.-log(u))*(1.-t)).sum();
    00409             //std::cout << "Scale " << i << ' ' << scaling.first << " " << scaling.second << " LL " << 2*ll << std::endl;
    00410         }
    00411
    00412         // log-likelihood
    00413         u = exp(scaling.first + scaling.second*scores) / (1 + exp(scaling.first + scaling.second*scores));
    00414         double ll = (log(u)*t + (1.-log(u))*(1.-t)).sum();
    00415         return 2*ll;
    00416     }
    00417 */