001    /*
002     * Licensed to the Apache Software Foundation (ASF) under one or more
003     * contributor license agreements.  See the NOTICE file distributed with
004     * this work for additional information regarding copyright ownership.
005     * The ASF licenses this file to You under the Apache License, Version 2.0
006     * (the "License"); you may not use this file except in compliance with
007     * the License.  You may obtain a copy of the License at
008     *
009     *      http://www.apache.org/licenses/LICENSE-2.0
010     *
011     * Unless required by applicable law or agreed to in writing, software
012     * distributed under the License is distributed on an "AS IS" BASIS,
013     * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
014     * See the License for the specific language governing permissions and
015     * limitations under the License.
016     */
017    
018    package org.apache.commons.math3.optimization.direct;
019    
020    import java.util.ArrayList;
021    import java.util.Arrays;
022    import java.util.List;
023    
024    import org.apache.commons.math3.analysis.MultivariateFunction;
025    import org.apache.commons.math3.exception.DimensionMismatchException;
026    import org.apache.commons.math3.exception.NotPositiveException;
027    import org.apache.commons.math3.exception.NotStrictlyPositiveException;
028    import org.apache.commons.math3.exception.OutOfRangeException;
029    import org.apache.commons.math3.exception.TooManyEvaluationsException;
030    import org.apache.commons.math3.linear.Array2DRowRealMatrix;
031    import org.apache.commons.math3.linear.EigenDecomposition;
032    import org.apache.commons.math3.linear.MatrixUtils;
033    import org.apache.commons.math3.linear.RealMatrix;
034    import org.apache.commons.math3.optimization.ConvergenceChecker;
035    import org.apache.commons.math3.optimization.OptimizationData;
036    import org.apache.commons.math3.optimization.GoalType;
037    import org.apache.commons.math3.optimization.MultivariateOptimizer;
038    import org.apache.commons.math3.optimization.PointValuePair;
039    import org.apache.commons.math3.optimization.SimpleValueChecker;
040    import org.apache.commons.math3.random.MersenneTwister;
041    import org.apache.commons.math3.random.RandomGenerator;
042    import org.apache.commons.math3.util.MathArrays;
043    
044    /**
045     * <p>An implementation of the active Covariance Matrix Adaptation Evolution Strategy (CMA-ES)
046     * for non-linear, non-convex, non-smooth, global function minimization.
047     * The CMA-Evolution Strategy (CMA-ES) is a reliable stochastic optimization method
048     * which should be applied if derivative-based methods, e.g. quasi-Newton BFGS or
049     * conjugate gradient, fail due to a rugged search landscape (e.g. noise, local
050     * optima, outlier, etc.) of the objective function. Like a
051     * quasi-Newton method, the CMA-ES learns and applies a variable metric
052     * on the underlying search space. Unlike a quasi-Newton method, the
053     * CMA-ES neither estimates nor uses gradients, making it considerably more
054     * reliable in terms of finding a good, or even close to optimal, solution.</p>
055     *
056     * <p>In general, on smooth objective functions the CMA-ES is roughly ten times
057     * slower than BFGS (counting objective function evaluations, no gradients provided).
058     * For up to <math>N=10</math> variables also the derivative-free simplex
059     * direct search method (Nelder and Mead) can be faster, but it is
060     * far less reliable than CMA-ES.</p>
061     *
062     * <p>The CMA-ES is particularly well suited for non-separable
063     * and/or badly conditioned problems. To observe the advantage of CMA compared
064     * to a conventional evolution strategy, it will usually take about
065     * <math>30 N</math> function evaluations. On difficult problems the complete
066     * optimization (a single run) is expected to take <em>roughly</em> between
067     * <math>30 N</math> and <math>300 N<sup>2</sup></math>
068     * function evaluations.</p>
069     *
070     * <p>This implementation is translated and adapted from the Matlab version
071     * of the CMA-ES algorithm as implemented in module {@code cmaes.m} version 3.51.</p>
072     *
073     * For more information, please refer to the following links:
074     * <ul>
075     *  <li><a href="http://www.lri.fr/~hansen/cmaes.m">Matlab code</a></li>
076     *  <li><a href="http://www.lri.fr/~hansen/cmaesintro.html">Introduction to CMA-ES</a></li>
077     *  <li><a href="http://en.wikipedia.org/wiki/CMA-ES">Wikipedia</a></li>
078     * </ul>
079     *
080     * @version $Id: CMAESOptimizer.java 1462503 2013-03-29 15:48:27Z luc $
081     * @deprecated As of 3.1 (to be removed in 4.0).
082     * @since 3.0
083     */
084    
085    @Deprecated
086    public class CMAESOptimizer
087        extends BaseAbstractMultivariateSimpleBoundsOptimizer<MultivariateFunction>
088        implements MultivariateOptimizer {
089        /** Default value for {@link #checkFeasableCount}: {@value}. */
090        public static final int DEFAULT_CHECKFEASABLECOUNT = 0;
091        /** Default value for {@link #stopFitness}: {@value}. */
092        public static final double DEFAULT_STOPFITNESS = 0;
093        /** Default value for {@link #isActiveCMA}: {@value}. */
094        public static final boolean DEFAULT_ISACTIVECMA = true;
095        /** Default value for {@link #maxIterations}: {@value}. */
096        public static final int DEFAULT_MAXITERATIONS = 30000;
097        /** Default value for {@link #diagonalOnly}: {@value}. */
098        public static final int DEFAULT_DIAGONALONLY = 0;
099        /** Default value for {@link #random}. */
100        public static final RandomGenerator DEFAULT_RANDOMGENERATOR = new MersenneTwister();
101    
102        // global search parameters
103        /**
104         * Population size, offspring number. The primary strategy parameter to play
105         * with, which can be increased from its default value. Increasing the
106         * population size improves global search properties in exchange to speed.
107         * Speed decreases, as a rule, at most linearly with increasing population
108         * size. It is advisable to begin with the default small population size.
109         */
110        private int lambda; // population size
111        /**
112         * Covariance update mechanism, default is active CMA. isActiveCMA = true
113         * turns on "active CMA" with a negative update of the covariance matrix and
114         * checks for positive definiteness. OPTS.CMA.active = 2 does not check for
115         * pos. def. and is numerically faster. Active CMA usually speeds up the
116         * adaptation.
117         */
118        private boolean isActiveCMA;
119        /**
120         * Determines how often a new random offspring is generated in case it is
121         * not feasible / beyond the defined limits, default is 0.
122         */
123        private int checkFeasableCount;
124        /**
125         * @see Sigma
126         */
127        private double[] inputSigma;
128        /** Number of objective variables/problem dimension */
129        private int dimension;
130        /**
131         * Defines the number of initial iterations, where the covariance matrix
132         * remains diagonal and the algorithm has internally linear time complexity.
133         * diagonalOnly = 1 means keeping the covariance matrix always diagonal and
134         * this setting also exhibits linear space complexity. This can be
135         * particularly useful for dimension > 100.
136         * @see <a href="http://hal.archives-ouvertes.fr/inria-00287367/en">A Simple Modification in CMA-ES</a>
137         */
138        private int diagonalOnly = 0;
139        /** Number of objective variables/problem dimension */
140        private boolean isMinimize = true;
141        /** Indicates whether statistic data is collected. */
142        private boolean generateStatistics = false;
143    
144        // termination criteria
145        /** Maximal number of iterations allowed. */
146        private int maxIterations;
147        /** Limit for fitness value. */
148        private double stopFitness;
149        /** Stop if x-changes larger stopTolUpX. */
150        private double stopTolUpX;
151        /** Stop if x-change smaller stopTolX. */
152        private double stopTolX;
153        /** Stop if fun-changes smaller stopTolFun. */
154        private double stopTolFun;
155        /** Stop if back fun-changes smaller stopTolHistFun. */
156        private double stopTolHistFun;
157    
158        // selection strategy parameters
159        /** Number of parents/points for recombination. */
160        private int mu; //
161        /** log(mu + 0.5), stored for efficiency. */
162        private double logMu2;
163        /** Array for weighted recombination. */
164        private RealMatrix weights;
165        /** Variance-effectiveness of sum w_i x_i. */
166        private double mueff; //
167    
168        // dynamic strategy parameters and constants
169        /** Overall standard deviation - search volume. */
170        private double sigma;
171        /** Cumulation constant. */
172        private double cc;
173        /** Cumulation constant for step-size. */
174        private double cs;
175        /** Damping for step-size. */
176        private double damps;
177        /** Learning rate for rank-one update. */
178        private double ccov1;
179        /** Learning rate for rank-mu update' */
180        private double ccovmu;
181        /** Expectation of ||N(0,I)|| == norm(randn(N,1)). */
182        private double chiN;
183        /** Learning rate for rank-one update - diagonalOnly */
184        private double ccov1Sep;
185        /** Learning rate for rank-mu update - diagonalOnly */
186        private double ccovmuSep;
187    
188        // CMA internal values - updated each generation
189        /** Objective variables. */
190        private RealMatrix xmean;
191        /** Evolution path. */
192        private RealMatrix pc;
193        /** Evolution path for sigma. */
194        private RealMatrix ps;
195        /** Norm of ps, stored for efficiency. */
196        private double normps;
197        /** Coordinate system. */
198        private RealMatrix B;
199        /** Scaling. */
200        private RealMatrix D;
201        /** B*D, stored for efficiency. */
202        private RealMatrix BD;
203        /** Diagonal of sqrt(D), stored for efficiency. */
204        private RealMatrix diagD;
205        /** Covariance matrix. */
206        private RealMatrix C;
207        /** Diagonal of C, used for diagonalOnly. */
208        private RealMatrix diagC;
209        /** Number of iterations already performed. */
210        private int iterations;
211    
212        /** History queue of best values. */
213        private double[] fitnessHistory;
214        /** Size of history queue of best values. */
215        private int historySize;
216    
217        /** Random generator. */
218        private RandomGenerator random;
219    
220        /** History of sigma values. */
221        private List<Double> statisticsSigmaHistory = new ArrayList<Double>();
222        /** History of mean matrix. */
223        private List<RealMatrix> statisticsMeanHistory = new ArrayList<RealMatrix>();
224        /** History of fitness values. */
225        private List<Double> statisticsFitnessHistory = new ArrayList<Double>();
226        /** History of D matrix. */
227        private List<RealMatrix> statisticsDHistory = new ArrayList<RealMatrix>();
228    
229        /**
230         * Default constructor, uses default parameters
231         *
232         * @deprecated As of version 3.1: Parameter {@code lambda} must be
233         * passed with the call to {@link #optimize(int,MultivariateFunction,GoalType,OptimizationData[])
234         * optimize} (whereas in the current code it is set to an undocumented value).
235         */
236        public CMAESOptimizer() {
237            this(0);
238        }
239    
240        /**
241         * @param lambda Population size.
242         * @deprecated As of version 3.1: Parameter {@code lambda} must be
243         * passed with the call to {@link #optimize(int,MultivariateFunction,GoalType,OptimizationData[])
244         * optimize} (whereas in the current code it is set to an undocumented value)..
245         */
246        public CMAESOptimizer(int lambda) {
247            this(lambda, null, DEFAULT_MAXITERATIONS, DEFAULT_STOPFITNESS,
248                 DEFAULT_ISACTIVECMA, DEFAULT_DIAGONALONLY,
249                 DEFAULT_CHECKFEASABLECOUNT, DEFAULT_RANDOMGENERATOR,
250                 false, null);
251        }
252    
253        /**
254         * @param lambda Population size.
255         * @param inputSigma Initial standard deviations to sample new points
256         * around the initial guess.
257         * @deprecated As of version 3.1: Parameters {@code lambda} and {@code inputSigma} must be
258         * passed with the call to {@link #optimize(int,MultivariateFunction,GoalType,OptimizationData[])
259         * optimize}.
260         */
261        @Deprecated
262        public CMAESOptimizer(int lambda, double[] inputSigma) {
263            this(lambda, inputSigma, DEFAULT_MAXITERATIONS, DEFAULT_STOPFITNESS,
264                 DEFAULT_ISACTIVECMA, DEFAULT_DIAGONALONLY,
265                 DEFAULT_CHECKFEASABLECOUNT, DEFAULT_RANDOMGENERATOR, false);
266        }
267    
268        /**
269         * @param lambda Population size.
270         * @param inputSigma Initial standard deviations to sample new points
271         * around the initial guess.
272         * @param maxIterations Maximal number of iterations.
273         * @param stopFitness Whether to stop if objective function value is smaller than
274         * {@code stopFitness}.
275         * @param isActiveCMA Chooses the covariance matrix update method.
276         * @param diagonalOnly Number of initial iterations, where the covariance matrix
277         * remains diagonal.
278         * @param checkFeasableCount Determines how often new random objective variables are
279         * generated in case they are out of bounds.
280         * @param random Random generator.
281         * @param generateStatistics Whether statistic data is collected.
282         * @deprecated See {@link SimpleValueChecker#SimpleValueChecker()}
283         */
284        @Deprecated
285        public CMAESOptimizer(int lambda, double[] inputSigma,
286                              int maxIterations, double stopFitness,
287                              boolean isActiveCMA, int diagonalOnly, int checkFeasableCount,
288                              RandomGenerator random, boolean generateStatistics) {
289            this(lambda, inputSigma, maxIterations, stopFitness, isActiveCMA,
290                 diagonalOnly, checkFeasableCount, random, generateStatistics,
291                 new SimpleValueChecker());
292        }
293    
294        /**
295         * @param lambda Population size.
296         * @param inputSigma Initial standard deviations to sample new points
297         * around the initial guess.
298         * @param maxIterations Maximal number of iterations.
299         * @param stopFitness Whether to stop if objective function value is smaller than
300         * {@code stopFitness}.
301         * @param isActiveCMA Chooses the covariance matrix update method.
302         * @param diagonalOnly Number of initial iterations, where the covariance matrix
303         * remains diagonal.
304         * @param checkFeasableCount Determines how often new random objective variables are
305         * generated in case they are out of bounds.
306         * @param random Random generator.
307         * @param generateStatistics Whether statistic data is collected.
308         * @param checker Convergence checker.
309         * @deprecated As of version 3.1: Parameters {@code lambda} and {@code inputSigma} must be
310         * passed with the call to {@link #optimize(int,MultivariateFunction,GoalType,OptimizationData[])
311         * optimize}.
312         */
313        @Deprecated
314        public CMAESOptimizer(int lambda, double[] inputSigma,
315                              int maxIterations, double stopFitness,
316                              boolean isActiveCMA, int diagonalOnly, int checkFeasableCount,
317                              RandomGenerator random, boolean generateStatistics,
318                              ConvergenceChecker<PointValuePair> checker) {
319            super(checker);
320            this.lambda = lambda;
321            this.inputSigma = inputSigma == null ? null : (double[]) inputSigma.clone();
322            this.maxIterations = maxIterations;
323            this.stopFitness = stopFitness;
324            this.isActiveCMA = isActiveCMA;
325            this.diagonalOnly = diagonalOnly;
326            this.checkFeasableCount = checkFeasableCount;
327            this.random = random;
328            this.generateStatistics = generateStatistics;
329        }
330    
331        /**
332         * @param maxIterations Maximal number of iterations.
333         * @param stopFitness Whether to stop if objective function value is smaller than
334         * {@code stopFitness}.
335         * @param isActiveCMA Chooses the covariance matrix update method.
336         * @param diagonalOnly Number of initial iterations, where the covariance matrix
337         * remains diagonal.
338         * @param checkFeasableCount Determines how often new random objective variables are
339         * generated in case they are out of bounds.
340         * @param random Random generator.
341         * @param generateStatistics Whether statistic data is collected.
342         * @param checker Convergence checker.
343         *
344         * @since 3.1
345         */
346        public CMAESOptimizer(int maxIterations,
347                              double stopFitness,
348                              boolean isActiveCMA,
349                              int diagonalOnly,
350                              int checkFeasableCount,
351                              RandomGenerator random,
352                              boolean generateStatistics,
353                              ConvergenceChecker<PointValuePair> checker) {
354            super(checker);
355            this.maxIterations = maxIterations;
356            this.stopFitness = stopFitness;
357            this.isActiveCMA = isActiveCMA;
358            this.diagonalOnly = diagonalOnly;
359            this.checkFeasableCount = checkFeasableCount;
360            this.random = random;
361            this.generateStatistics = generateStatistics;
362        }
363    
364        /**
365         * @return History of sigma values.
366         */
367        public List<Double> getStatisticsSigmaHistory() {
368            return statisticsSigmaHistory;
369        }
370    
371        /**
372         * @return History of mean matrix.
373         */
374        public List<RealMatrix> getStatisticsMeanHistory() {
375            return statisticsMeanHistory;
376        }
377    
378        /**
379         * @return History of fitness values.
380         */
381        public List<Double> getStatisticsFitnessHistory() {
382            return statisticsFitnessHistory;
383        }
384    
385        /**
386         * @return History of D matrix.
387         */
388        public List<RealMatrix> getStatisticsDHistory() {
389            return statisticsDHistory;
390        }
391    
392        /**
393         * Input sigma values.
394         * They define the initial coordinate-wise standard deviations for
395         * sampling new search points around the initial guess.
396         * It is suggested to set them to the estimated distance from the
397         * initial to the desired optimum.
398         * Small values induce the search to be more local (and very small
399         * values are more likely to find a local optimum close to the initial
400         * guess).
401         * Too small values might however lead to early termination.
402         * @since 3.1
403         */
404        public static class Sigma implements OptimizationData {
405            /** Sigma values. */
406            private final double[] sigma;
407    
408            /**
409             * @param s Sigma values.
410             * @throws NotPositiveException if any of the array entries is smaller
411             * than zero.
412             */
413            public Sigma(double[] s)
414                throws NotPositiveException {
415                for (int i = 0; i < s.length; i++) {
416                    if (s[i] < 0) {
417                        throw new NotPositiveException(s[i]);
418                    }
419                }
420    
421                sigma = s.clone();
422            }
423    
424            /**
425             * @return the sigma values.
426             */
427            public double[] getSigma() {
428                return sigma.clone();
429            }
430        }
431    
432        /**
433         * Population size.
434         * The number of offspring is the primary strategy parameter.
435         * In the absence of better clues, a good default could be an
436         * integer close to {@code 4 + 3 ln(n)}, where {@code n} is the
437         * number of optimized parameters.
438         * Increasing the population size improves global search properties
439         * at the expense of speed (which in general decreases at most
440         * linearly with increasing population size).
441         * @since 3.1
442         */
443        public static class PopulationSize implements OptimizationData {
444            /** Population size. */
445            private final int lambda;
446    
447            /**
448             * @param size Population size.
449             * @throws NotStrictlyPositiveException if {@code size <= 0}.
450             */
451            public PopulationSize(int size)
452                throws NotStrictlyPositiveException {
453                if (size <= 0) {
454                    throw new NotStrictlyPositiveException(size);
455                }
456                lambda = size;
457            }
458    
459            /**
460             * @return the population size.
461             */
462            public int getPopulationSize() {
463                return lambda;
464            }
465        }
466    
467        /**
468         * Optimize an objective function.
469         *
470         * @param maxEval Allowed number of evaluations of the objective function.
471         * @param f Objective function.
472         * @param goalType Optimization type.
473         * @param optData Optimization data. The following data will be looked for:
474         * <ul>
475         *  <li>{@link org.apache.commons.math3.optimization.InitialGuess InitialGuess}</li>
476         *  <li>{@link Sigma}</li>
477         *  <li>{@link PopulationSize}</li>
478         * </ul>
479         * @return the point/value pair giving the optimal value for objective
480         * function.
481         */
482        @Override
483        protected PointValuePair optimizeInternal(int maxEval, MultivariateFunction f,
484                                                  GoalType goalType,
485                                                  OptimizationData... optData) {
486            // Scan "optData" for the input specific to this optimizer.
487            parseOptimizationData(optData);
488    
489            // The parent's method will retrieve the common parameters from
490            // "optData" and call "doOptimize".
491            return super.optimizeInternal(maxEval, f, goalType, optData);
492        }
493    
494        /** {@inheritDoc} */
495        @Override
496        protected PointValuePair doOptimize() {
497            checkParameters();
498             // -------------------- Initialization --------------------------------
499            isMinimize = getGoalType().equals(GoalType.MINIMIZE);
500            final FitnessFunction fitfun = new FitnessFunction();
501            final double[] guess = getStartPoint();
502            // number of objective variables/problem dimension
503            dimension = guess.length;
504            initializeCMA(guess);
505            iterations = 0;
506            double bestValue = fitfun.value(guess);
507            push(fitnessHistory, bestValue);
508            PointValuePair optimum = new PointValuePair(getStartPoint(),
509                    isMinimize ? bestValue : -bestValue);
510            PointValuePair lastResult = null;
511    
512            // -------------------- Generation Loop --------------------------------
513    
514            generationLoop:
515            for (iterations = 1; iterations <= maxIterations; iterations++) {
516                // Generate and evaluate lambda offspring
517                final RealMatrix arz = randn1(dimension, lambda);
518                final RealMatrix arx = zeros(dimension, lambda);
519                final double[] fitness = new double[lambda];
520                // generate random offspring
521                for (int k = 0; k < lambda; k++) {
522                    RealMatrix arxk = null;
523                    for (int i = 0; i < checkFeasableCount + 1; i++) {
524                        if (diagonalOnly <= 0) {
525                            arxk = xmean.add(BD.multiply(arz.getColumnMatrix(k))
526                                             .scalarMultiply(sigma)); // m + sig * Normal(0,C)
527                        } else {
528                            arxk = xmean.add(times(diagD,arz.getColumnMatrix(k))
529                                             .scalarMultiply(sigma));
530                        }
531                        if (i >= checkFeasableCount ||
532                            fitfun.isFeasible(arxk.getColumn(0))) {
533                            break;
534                        }
535                        // regenerate random arguments for row
536                        arz.setColumn(k, randn(dimension));
537                    }
538                    copyColumn(arxk, 0, arx, k);
539                    try {
540                        fitness[k] = fitfun.value(arx.getColumn(k)); // compute fitness
541                    } catch (TooManyEvaluationsException e) {
542                        break generationLoop;
543                    }
544                }
545                // Sort by fitness and compute weighted mean into xmean
546                final int[] arindex = sortedIndices(fitness);
547                // Calculate new xmean, this is selection and recombination
548                final RealMatrix xold = xmean; // for speed up of Eq. (2) and (3)
549                final RealMatrix bestArx = selectColumns(arx, MathArrays.copyOf(arindex, mu));
550                xmean = bestArx.multiply(weights);
551                final RealMatrix bestArz = selectColumns(arz, MathArrays.copyOf(arindex, mu));
552                final RealMatrix zmean = bestArz.multiply(weights);
553                final boolean hsig = updateEvolutionPaths(zmean, xold);
554                if (diagonalOnly <= 0) {
555                    updateCovariance(hsig, bestArx, arz, arindex, xold);
556                } else {
557                    updateCovarianceDiagonalOnly(hsig, bestArz);
558                }
559                // Adapt step size sigma - Eq. (5)
560                sigma *= Math.exp(Math.min(1, (normps/chiN - 1) * cs / damps));
561                final double bestFitness = fitness[arindex[0]];
562                final double worstFitness = fitness[arindex[arindex.length - 1]];
563                if (bestValue > bestFitness) {
564                    bestValue = bestFitness;
565                    lastResult = optimum;
566                    optimum = new PointValuePair(fitfun.repair(bestArx.getColumn(0)),
567                                                 isMinimize ? bestFitness : -bestFitness);
568                    if (getConvergenceChecker() != null && lastResult != null &&
569                        getConvergenceChecker().converged(iterations, optimum, lastResult)) {
570                        break generationLoop;
571                    }
572                }
573                // handle termination criteria
574                // Break, if fitness is good enough
575                if (stopFitness != 0 && bestFitness < (isMinimize ? stopFitness : -stopFitness)) {
576                    break generationLoop;
577                }
578                final double[] sqrtDiagC = sqrt(diagC).getColumn(0);
579                final double[] pcCol = pc.getColumn(0);
580                for (int i = 0; i < dimension; i++) {
581                    if (sigma * Math.max(Math.abs(pcCol[i]), sqrtDiagC[i]) > stopTolX) {
582                        break;
583                    }
584                    if (i >= dimension - 1) {
585                        break generationLoop;
586                    }
587                }
588                for (int i = 0; i < dimension; i++) {
589                    if (sigma * sqrtDiagC[i] > stopTolUpX) {
590                        break generationLoop;
591                    }
592                }
593                final double historyBest = min(fitnessHistory);
594                final double historyWorst = max(fitnessHistory);
595                if (iterations > 2 &&
596                    Math.max(historyWorst, worstFitness) -
597                    Math.min(historyBest, bestFitness) < stopTolFun) {
598                    break generationLoop;
599                }
600                if (iterations > fitnessHistory.length &&
601                    historyWorst-historyBest < stopTolHistFun) {
602                    break generationLoop;
603                }
604                // condition number of the covariance matrix exceeds 1e14
605                if (max(diagD)/min(diagD) > 1e7) {
606                    break generationLoop;
607                }
608                // user defined termination
609                if (getConvergenceChecker() != null) {
610                    final PointValuePair current
611                        = new PointValuePair(bestArx.getColumn(0),
612                                             isMinimize ? bestFitness : -bestFitness);
613                    if (lastResult != null &&
614                        getConvergenceChecker().converged(iterations, current, lastResult)) {
615                        break generationLoop;
616                        }
617                    lastResult = current;
618                }
619                // Adjust step size in case of equal function values (flat fitness)
620                if (bestValue == fitness[arindex[(int)(0.1+lambda/4.)]]) {
621                    sigma = sigma * Math.exp(0.2 + cs / damps);
622                }
623                if (iterations > 2 && Math.max(historyWorst, bestFitness) -
624                    Math.min(historyBest, bestFitness) == 0) {
625                    sigma = sigma * Math.exp(0.2 + cs / damps);
626                }
627                // store best in history
628                push(fitnessHistory,bestFitness);
629                fitfun.setValueRange(worstFitness-bestFitness);
630                if (generateStatistics) {
631                    statisticsSigmaHistory.add(sigma);
632                    statisticsFitnessHistory.add(bestFitness);
633                    statisticsMeanHistory.add(xmean.transpose());
634                    statisticsDHistory.add(diagD.transpose().scalarMultiply(1E5));
635                }
636            }
637            return optimum;
638        }
639    
640        /**
641         * Scans the list of (required and optional) optimization data that
642         * characterize the problem.
643         *
644         * @param optData Optimization data. The following data will be looked for:
645         * <ul>
646         *  <li>{@link Sigma}</li>
647         *  <li>{@link PopulationSize}</li>
648         * </ul>
649         */
650        private void parseOptimizationData(OptimizationData... optData) {
651            // The existing values (as set by the previous call) are reused if
652            // not provided in the argument list.
653            for (OptimizationData data : optData) {
654                if (data instanceof Sigma) {
655                    inputSigma = ((Sigma) data).getSigma();
656                    continue;
657                }
658                if (data instanceof PopulationSize) {
659                    lambda = ((PopulationSize) data).getPopulationSize();
660                    continue;
661                }
662            }
663        }
664    
665        /**
666         * Checks dimensions and values of boundaries and inputSigma if defined.
667         */
668        private void checkParameters() {
669            final double[] init = getStartPoint();
670            final double[] lB = getLowerBound();
671            final double[] uB = getUpperBound();
672    
673            if (inputSigma != null) {
674                if (inputSigma.length != init.length) {
675                    throw new DimensionMismatchException(inputSigma.length, init.length);
676                }
677                for (int i = 0; i < init.length; i++) {
678                    if (inputSigma[i] < 0) {
679                        // XXX Remove this block in 4.0 (check performed in "Sigma" class).
680                        throw new NotPositiveException(inputSigma[i]);
681                    }
682                    if (inputSigma[i] > uB[i] - lB[i]) {
683                        throw new OutOfRangeException(inputSigma[i], 0, uB[i] - lB[i]);
684                    }
685                }
686            }
687        }
688    
689        /**
690         * Initialization of the dynamic search parameters
691         *
692         * @param guess Initial guess for the arguments of the fitness function.
693         */
694        private void initializeCMA(double[] guess) {
695            if (lambda <= 0) {
696                // XXX Line below to replace the current one in 4.0 (MATH-879).
697                // throw new NotStrictlyPositiveException(lambda);
698                lambda = 4 + (int) (3 * Math.log(dimension));
699            }
700            // initialize sigma
701            final double[][] sigmaArray = new double[guess.length][1];
702            for (int i = 0; i < guess.length; i++) {
703                // XXX Line below to replace the current one in 4.0 (MATH-868).
704                // sigmaArray[i][0] = inputSigma[i];
705                sigmaArray[i][0] = inputSigma == null ? 0.3 : inputSigma[i];
706            }
707            final RealMatrix insigma = new Array2DRowRealMatrix(sigmaArray, false);
708            sigma = max(insigma); // overall standard deviation
709    
710            // initialize termination criteria
711            stopTolUpX = 1e3 * max(insigma);
712            stopTolX = 1e-11 * max(insigma);
713            stopTolFun = 1e-12;
714            stopTolHistFun = 1e-13;
715    
716            // initialize selection strategy parameters
717            mu = lambda / 2; // number of parents/points for recombination
718            logMu2 = Math.log(mu + 0.5);
719            weights = log(sequence(1, mu, 1)).scalarMultiply(-1).scalarAdd(logMu2);
720            double sumw = 0;
721            double sumwq = 0;
722            for (int i = 0; i < mu; i++) {
723                double w = weights.getEntry(i, 0);
724                sumw += w;
725                sumwq += w * w;
726            }
727            weights = weights.scalarMultiply(1 / sumw);
728            mueff = sumw * sumw / sumwq; // variance-effectiveness of sum w_i x_i
729    
730            // initialize dynamic strategy parameters and constants
731            cc = (4 + mueff / dimension) /
732                    (dimension + 4 + 2 * mueff / dimension);
733            cs = (mueff + 2) / (dimension + mueff + 3.);
734            damps = (1 + 2 * Math.max(0, Math.sqrt((mueff - 1) /
735                                                   (dimension + 1)) - 1)) *
736                Math.max(0.3,
737                         1 - dimension / (1e-6 + maxIterations)) + cs; // minor increment
738            ccov1 = 2 / ((dimension + 1.3) * (dimension + 1.3) + mueff);
739            ccovmu = Math.min(1 - ccov1, 2 * (mueff - 2 + 1 / mueff) /
740                              ((dimension + 2) * (dimension + 2) + mueff));
741            ccov1Sep = Math.min(1, ccov1 * (dimension + 1.5) / 3);
742            ccovmuSep = Math.min(1 - ccov1, ccovmu * (dimension + 1.5) / 3);
743            chiN = Math.sqrt(dimension) *
744                (1 - 1 / ((double) 4 * dimension) + 1 / ((double) 21 * dimension * dimension));
745            // intialize CMA internal values - updated each generation
746            xmean = MatrixUtils.createColumnRealMatrix(guess); // objective variables
747            diagD = insigma.scalarMultiply(1 / sigma);
748            diagC = square(diagD);
749            pc = zeros(dimension, 1); // evolution paths for C and sigma
750            ps = zeros(dimension, 1); // B defines the coordinate system
751            normps = ps.getFrobeniusNorm();
752    
753            B = eye(dimension, dimension);
754            D = ones(dimension, 1); // diagonal D defines the scaling
755            BD = times(B, repmat(diagD.transpose(), dimension, 1));
756            C = B.multiply(diag(square(D)).multiply(B.transpose())); // covariance
757            historySize = 10 + (int) (3 * 10 * dimension / (double) lambda);
758            fitnessHistory = new double[historySize]; // history of fitness values
759            for (int i = 0; i < historySize; i++) {
760                fitnessHistory[i] = Double.MAX_VALUE;
761            }
762        }
763    
764        /**
765         * Update of the evolution paths ps and pc.
766         *
767         * @param zmean Weighted row matrix of the gaussian random numbers generating
768         * the current offspring.
769         * @param xold xmean matrix of the previous generation.
770         * @return hsig flag indicating a small correction.
771         */
772        private boolean updateEvolutionPaths(RealMatrix zmean, RealMatrix xold) {
773            ps = ps.scalarMultiply(1 - cs).add(
774                    B.multiply(zmean).scalarMultiply(
775                            Math.sqrt(cs * (2 - cs) * mueff)));
776            normps = ps.getFrobeniusNorm();
777            final boolean hsig = normps /
778                Math.sqrt(1 - Math.pow(1 - cs, 2 * iterations)) /
779                chiN < 1.4 + 2 / ((double) dimension + 1);
780            pc = pc.scalarMultiply(1 - cc);
781            if (hsig) {
782                pc = pc.add(xmean.subtract(xold).scalarMultiply(Math.sqrt(cc * (2 - cc) * mueff) / sigma));
783            }
784            return hsig;
785        }
786    
787        /**
788         * Update of the covariance matrix C for diagonalOnly > 0
789         *
790         * @param hsig Flag indicating a small correction.
791         * @param bestArz Fitness-sorted matrix of the gaussian random values of the
792         * current offspring.
793         */
794        private void updateCovarianceDiagonalOnly(boolean hsig,
795                                                  final RealMatrix bestArz) {
796            // minor correction if hsig==false
797            double oldFac = hsig ? 0 : ccov1Sep * cc * (2 - cc);
798            oldFac += 1 - ccov1Sep - ccovmuSep;
799            diagC = diagC.scalarMultiply(oldFac) // regard old matrix
800                .add(square(pc).scalarMultiply(ccov1Sep)) // plus rank one update
801                .add((times(diagC, square(bestArz).multiply(weights))) // plus rank mu update
802                     .scalarMultiply(ccovmuSep));
803            diagD = sqrt(diagC); // replaces eig(C)
804            if (diagonalOnly > 1 &&
805                iterations > diagonalOnly) {
806                // full covariance matrix from now on
807                diagonalOnly = 0;
808                B = eye(dimension, dimension);
809                BD = diag(diagD);
810                C = diag(diagC);
811            }
812        }
813    
814        /**
815         * Update of the covariance matrix C.
816         *
817         * @param hsig Flag indicating a small correction.
818         * @param bestArx Fitness-sorted matrix of the argument vectors producing the
819         * current offspring.
820         * @param arz Unsorted matrix containing the gaussian random values of the
821         * current offspring.
822         * @param arindex Indices indicating the fitness-order of the current offspring.
823         * @param xold xmean matrix of the previous generation.
824         */
825        private void updateCovariance(boolean hsig, final RealMatrix bestArx,
826                                      final RealMatrix arz, final int[] arindex,
827                                      final RealMatrix xold) {
828            double negccov = 0;
829            if (ccov1 + ccovmu > 0) {
830                final RealMatrix arpos = bestArx.subtract(repmat(xold, 1, mu))
831                    .scalarMultiply(1 / sigma); // mu difference vectors
832                final RealMatrix roneu = pc.multiply(pc.transpose())
833                    .scalarMultiply(ccov1); // rank one update
834                // minor correction if hsig==false
835                double oldFac = hsig ? 0 : ccov1 * cc * (2 - cc);
836                oldFac += 1 - ccov1 - ccovmu;
837                if (isActiveCMA) {
838                    // Adapt covariance matrix C active CMA
839                    negccov = (1 - ccovmu) * 0.25 * mueff /
840                        (Math.pow(dimension + 2, 1.5) + 2 * mueff);
841                    // keep at least 0.66 in all directions, small popsize are most
842                    // critical
843                    final double negminresidualvariance = 0.66;
844                    // where to make up for the variance loss
845                    final double negalphaold = 0.5;
846                    // prepare vectors, compute negative updating matrix Cneg
847                    final int[] arReverseIndex = reverse(arindex);
848                    RealMatrix arzneg = selectColumns(arz, MathArrays.copyOf(arReverseIndex, mu));
849                    RealMatrix arnorms = sqrt(sumRows(square(arzneg)));
850                    final int[] idxnorms = sortedIndices(arnorms.getRow(0));
851                    final RealMatrix arnormsSorted = selectColumns(arnorms, idxnorms);
852                    final int[] idxReverse = reverse(idxnorms);
853                    final RealMatrix arnormsReverse = selectColumns(arnorms, idxReverse);
854                    arnorms = divide(arnormsReverse, arnormsSorted);
855                    final int[] idxInv = inverse(idxnorms);
856                    final RealMatrix arnormsInv = selectColumns(arnorms, idxInv);
857                    // check and set learning rate negccov
858                    final double negcovMax = (1 - negminresidualvariance) /
859                        square(arnormsInv).multiply(weights).getEntry(0, 0);
860                    if (negccov > negcovMax) {
861                        negccov = negcovMax;
862                    }
863                    arzneg = times(arzneg, repmat(arnormsInv, dimension, 1));
864                    final RealMatrix artmp = BD.multiply(arzneg);
865                    final RealMatrix Cneg = artmp.multiply(diag(weights)).multiply(artmp.transpose());
866                    oldFac += negalphaold * negccov;
867                    C = C.scalarMultiply(oldFac)
868                        .add(roneu) // regard old matrix
869                        .add(arpos.scalarMultiply( // plus rank one update
870                                                  ccovmu + (1 - negalphaold) * negccov) // plus rank mu update
871                             .multiply(times(repmat(weights, 1, dimension),
872                                             arpos.transpose())))
873                        .subtract(Cneg.scalarMultiply(negccov));
874                } else {
875                    // Adapt covariance matrix C - nonactive
876                    C = C.scalarMultiply(oldFac) // regard old matrix
877                        .add(roneu) // plus rank one update
878                        .add(arpos.scalarMultiply(ccovmu) // plus rank mu update
879                             .multiply(times(repmat(weights, 1, dimension),
880                                             arpos.transpose())));
881                }
882            }
883            updateBD(negccov);
884        }
885    
886        /**
887         * Update B and D from C.
888         *
889         * @param negccov Negative covariance factor.
890         */
891        private void updateBD(double negccov) {
892            if (ccov1 + ccovmu + negccov > 0 &&
893                (iterations % 1. / (ccov1 + ccovmu + negccov) / dimension / 10.) < 1) {
894                // to achieve O(N^2)
895                C = triu(C, 0).add(triu(C, 1).transpose());
896                // enforce symmetry to prevent complex numbers
897                final EigenDecomposition eig = new EigenDecomposition(C);
898                B = eig.getV(); // eigen decomposition, B==normalized eigenvectors
899                D = eig.getD();
900                diagD = diag(D);
901                if (min(diagD) <= 0) {
902                    for (int i = 0; i < dimension; i++) {
903                        if (diagD.getEntry(i, 0) < 0) {
904                            diagD.setEntry(i, 0, 0);
905                        }
906                    }
907                    final double tfac = max(diagD) / 1e14;
908                    C = C.add(eye(dimension, dimension).scalarMultiply(tfac));
909                    diagD = diagD.add(ones(dimension, 1).scalarMultiply(tfac));
910                }
911                if (max(diagD) > 1e14 * min(diagD)) {
912                    final double tfac = max(diagD) / 1e14 - min(diagD);
913                    C = C.add(eye(dimension, dimension).scalarMultiply(tfac));
914                    diagD = diagD.add(ones(dimension, 1).scalarMultiply(tfac));
915                }
916                diagC = diag(C);
917                diagD = sqrt(diagD); // D contains standard deviations now
918                BD = times(B, repmat(diagD.transpose(), dimension, 1)); // O(n^2)
919            }
920        }
921    
922        /**
923         * Pushes the current best fitness value in a history queue.
924         *
925         * @param vals History queue.
926         * @param val Current best fitness value.
927         */
928        private static void push(double[] vals, double val) {
929            for (int i = vals.length-1; i > 0; i--) {
930                vals[i] = vals[i-1];
931            }
932            vals[0] = val;
933        }
934    
935        /**
936         * Sorts fitness values.
937         *
938         * @param doubles Array of values to be sorted.
939         * @return a sorted array of indices pointing into doubles.
940         */
941        private int[] sortedIndices(final double[] doubles) {
942            final DoubleIndex[] dis = new DoubleIndex[doubles.length];
943            for (int i = 0; i < doubles.length; i++) {
944                dis[i] = new DoubleIndex(doubles[i], i);
945            }
946            Arrays.sort(dis);
947            final int[] indices = new int[doubles.length];
948            for (int i = 0; i < doubles.length; i++) {
949                indices[i] = dis[i].index;
950            }
951            return indices;
952        }
953    
954        /**
955         * Used to sort fitness values. Sorting is always in lower value first
956         * order.
957         */
958        private static class DoubleIndex implements Comparable<DoubleIndex> {
959            /** Value to compare. */
960            private final double value;
961            /** Index into sorted array. */
962            private final int index;
963    
964            /**
965             * @param value Value to compare.
966             * @param index Index into sorted array.
967             */
968            DoubleIndex(double value, int index) {
969                this.value = value;
970                this.index = index;
971            }
972    
973            /** {@inheritDoc} */
974            public int compareTo(DoubleIndex o) {
975                return Double.compare(value, o.value);
976            }
977    
978            /** {@inheritDoc} */
979            @Override
980            public boolean equals(Object other) {
981    
982                if (this == other) {
983                    return true;
984                }
985    
986                if (other instanceof DoubleIndex) {
987                    return Double.compare(value, ((DoubleIndex) other).value) == 0;
988                }
989    
990                return false;
991            }
992    
993            /** {@inheritDoc} */
994            @Override
995            public int hashCode() {
996                long bits = Double.doubleToLongBits(value);
997                return (int) ((1438542 ^ (bits >>> 32) ^ bits) & 0xffffffff);
998            }
999        }
1000    
1001        /**
1002         * Normalizes fitness values to the range [0,1]. Adds a penalty to the
1003         * fitness value if out of range. The penalty is adjusted by calling
1004         * setValueRange().
1005         */
1006        private class FitnessFunction {
1007            /** Determines the penalty for boundary violations */
1008            private double valueRange;
1009            /**
1010             * Flag indicating whether the objective variables are forced into their
1011             * bounds if defined
1012             */
1013            private final boolean isRepairMode;
1014    
1015            /** Simple constructor.
1016             */
1017            public FitnessFunction() {
1018                valueRange = 1;
1019                isRepairMode = true;
1020            }
1021    
1022            /**
1023             * @param point Normalized objective variables.
1024             * @return the objective value + penalty for violated bounds.
1025             */
1026            public double value(final double[] point) {
1027                double value;
1028                if (isRepairMode) {
1029                    double[] repaired = repair(point);
1030                    value = CMAESOptimizer.this.computeObjectiveValue(repaired) +
1031                        penalty(point, repaired);
1032                } else {
1033                    value = CMAESOptimizer.this.computeObjectiveValue(point);
1034                }
1035                return isMinimize ? value : -value;
1036            }
1037    
1038            /**
1039             * @param x Normalized objective variables.
1040             * @return {@code true} if in bounds.
1041             */
1042            public boolean isFeasible(final double[] x) {
1043                final double[] lB = CMAESOptimizer.this.getLowerBound();
1044                final double[] uB = CMAESOptimizer.this.getUpperBound();
1045    
1046                for (int i = 0; i < x.length; i++) {
1047                    if (x[i] < lB[i]) {
1048                        return false;
1049                    }
1050                    if (x[i] > uB[i]) {
1051                        return false;
1052                    }
1053                }
1054                return true;
1055            }
1056    
1057            /**
1058             * @param valueRange Adjusts the penalty computation.
1059             */
1060            public void setValueRange(double valueRange) {
1061                this.valueRange = valueRange;
1062            }
1063    
1064            /**
1065             * @param x Normalized objective variables.
1066             * @return the repaired (i.e. all in bounds) objective variables.
1067             */
1068            private double[] repair(final double[] x) {
1069                final double[] lB = CMAESOptimizer.this.getLowerBound();
1070                final double[] uB = CMAESOptimizer.this.getUpperBound();
1071    
1072                final double[] repaired = new double[x.length];
1073                for (int i = 0; i < x.length; i++) {
1074                    if (x[i] < lB[i]) {
1075                        repaired[i] = lB[i];
1076                    } else if (x[i] > uB[i]) {
1077                        repaired[i] = uB[i];
1078                    } else {
1079                        repaired[i] = x[i];
1080                    }
1081                }
1082                return repaired;
1083            }
1084    
1085            /**
1086             * @param x Normalized objective variables.
1087             * @param repaired Repaired objective variables.
1088             * @return Penalty value according to the violation of the bounds.
1089             */
1090            private double penalty(final double[] x, final double[] repaired) {
1091                double penalty = 0;
1092                for (int i = 0; i < x.length; i++) {
1093                    double diff = Math.abs(x[i] - repaired[i]);
1094                    penalty += diff * valueRange;
1095                }
1096                return isMinimize ? penalty : -penalty;
1097            }
1098        }
1099    
1100        // -----Matrix utility functions similar to the Matlab build in functions------
1101    
1102        /**
1103         * @param m Input matrix
1104         * @return Matrix representing the element-wise logarithm of m.
1105         */
1106        private static RealMatrix log(final RealMatrix m) {
1107            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1108            for (int r = 0; r < m.getRowDimension(); r++) {
1109                for (int c = 0; c < m.getColumnDimension(); c++) {
1110                    d[r][c] = Math.log(m.getEntry(r, c));
1111                }
1112            }
1113            return new Array2DRowRealMatrix(d, false);
1114        }
1115    
1116        /**
1117         * @param m Input matrix.
1118         * @return Matrix representing the element-wise square root of m.
1119         */
1120        private static RealMatrix sqrt(final RealMatrix m) {
1121            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1122            for (int r = 0; r < m.getRowDimension(); r++) {
1123                for (int c = 0; c < m.getColumnDimension(); c++) {
1124                    d[r][c] = Math.sqrt(m.getEntry(r, c));
1125                }
1126            }
1127            return new Array2DRowRealMatrix(d, false);
1128        }
1129    
1130        /**
1131         * @param m Input matrix.
1132         * @return Matrix representing the element-wise square of m.
1133         */
1134        private static RealMatrix square(final RealMatrix m) {
1135            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1136            for (int r = 0; r < m.getRowDimension(); r++) {
1137                for (int c = 0; c < m.getColumnDimension(); c++) {
1138                    double e = m.getEntry(r, c);
1139                    d[r][c] = e * e;
1140                }
1141            }
1142            return new Array2DRowRealMatrix(d, false);
1143        }
1144    
1145        /**
1146         * @param m Input matrix 1.
1147         * @param n Input matrix 2.
1148         * @return the matrix where the elements of m and n are element-wise multiplied.
1149         */
1150        private static RealMatrix times(final RealMatrix m, final RealMatrix n) {
1151            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1152            for (int r = 0; r < m.getRowDimension(); r++) {
1153                for (int c = 0; c < m.getColumnDimension(); c++) {
1154                    d[r][c] = m.getEntry(r, c) * n.getEntry(r, c);
1155                }
1156            }
1157            return new Array2DRowRealMatrix(d, false);
1158        }
1159    
1160        /**
1161         * @param m Input matrix 1.
1162         * @param n Input matrix 2.
1163         * @return Matrix where the elements of m and n are element-wise divided.
1164         */
1165        private static RealMatrix divide(final RealMatrix m, final RealMatrix n) {
1166            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1167            for (int r = 0; r < m.getRowDimension(); r++) {
1168                for (int c = 0; c < m.getColumnDimension(); c++) {
1169                    d[r][c] = m.getEntry(r, c) / n.getEntry(r, c);
1170                }
1171            }
1172            return new Array2DRowRealMatrix(d, false);
1173        }
1174    
1175        /**
1176         * @param m Input matrix.
1177         * @param cols Columns to select.
1178         * @return Matrix representing the selected columns.
1179         */
1180        private static RealMatrix selectColumns(final RealMatrix m, final int[] cols) {
1181            final double[][] d = new double[m.getRowDimension()][cols.length];
1182            for (int r = 0; r < m.getRowDimension(); r++) {
1183                for (int c = 0; c < cols.length; c++) {
1184                    d[r][c] = m.getEntry(r, cols[c]);
1185                }
1186            }
1187            return new Array2DRowRealMatrix(d, false);
1188        }
1189    
1190        /**
1191         * @param m Input matrix.
1192         * @param k Diagonal position.
1193         * @return Upper triangular part of matrix.
1194         */
1195        private static RealMatrix triu(final RealMatrix m, int k) {
1196            final double[][] d = new double[m.getRowDimension()][m.getColumnDimension()];
1197            for (int r = 0; r < m.getRowDimension(); r++) {
1198                for (int c = 0; c < m.getColumnDimension(); c++) {
1199                    d[r][c] = r <= c - k ? m.getEntry(r, c) : 0;
1200                }
1201            }
1202            return new Array2DRowRealMatrix(d, false);
1203        }
1204    
1205        /**
1206         * @param m Input matrix.
1207         * @return Row matrix representing the sums of the rows.
1208         */
1209        private static RealMatrix sumRows(final RealMatrix m) {
1210            final double[][] d = new double[1][m.getColumnDimension()];
1211            for (int c = 0; c < m.getColumnDimension(); c++) {
1212                double sum = 0;
1213                for (int r = 0; r < m.getRowDimension(); r++) {
1214                    sum += m.getEntry(r, c);
1215                }
1216                d[0][c] = sum;
1217            }
1218            return new Array2DRowRealMatrix(d, false);
1219        }
1220    
1221        /**
1222         * @param m Input matrix.
1223         * @return the diagonal n-by-n matrix if m is a column matrix or the column
1224         * matrix representing the diagonal if m is a n-by-n matrix.
1225         */
1226        private static RealMatrix diag(final RealMatrix m) {
1227            if (m.getColumnDimension() == 1) {
1228                final double[][] d = new double[m.getRowDimension()][m.getRowDimension()];
1229                for (int i = 0; i < m.getRowDimension(); i++) {
1230                    d[i][i] = m.getEntry(i, 0);
1231                }
1232                return new Array2DRowRealMatrix(d, false);
1233            } else {
1234                final double[][] d = new double[m.getRowDimension()][1];
1235                for (int i = 0; i < m.getColumnDimension(); i++) {
1236                    d[i][0] = m.getEntry(i, i);
1237                }
1238                return new Array2DRowRealMatrix(d, false);
1239            }
1240        }
1241    
1242        /**
1243         * Copies a column from m1 to m2.
1244         *
1245         * @param m1 Source matrix.
1246         * @param col1 Source column.
1247         * @param m2 Target matrix.
1248         * @param col2 Target column.
1249         */
1250        private static void copyColumn(final RealMatrix m1, int col1,
1251                                       RealMatrix m2, int col2) {
1252            for (int i = 0; i < m1.getRowDimension(); i++) {
1253                m2.setEntry(i, col2, m1.getEntry(i, col1));
1254            }
1255        }
1256    
1257        /**
1258         * @param n Number of rows.
1259         * @param m Number of columns.
1260         * @return n-by-m matrix filled with 1.
1261         */
1262        private static RealMatrix ones(int n, int m) {
1263            final double[][] d = new double[n][m];
1264            for (int r = 0; r < n; r++) {
1265                Arrays.fill(d[r], 1);
1266            }
1267            return new Array2DRowRealMatrix(d, false);
1268        }
1269    
1270        /**
1271         * @param n Number of rows.
1272         * @param m Number of columns.
1273         * @return n-by-m matrix of 0 values out of diagonal, and 1 values on
1274         * the diagonal.
1275         */
1276        private static RealMatrix eye(int n, int m) {
1277            final double[][] d = new double[n][m];
1278            for (int r = 0; r < n; r++) {
1279                if (r < m) {
1280                    d[r][r] = 1;
1281                }
1282            }
1283            return new Array2DRowRealMatrix(d, false);
1284        }
1285    
1286        /**
1287         * @param n Number of rows.
1288         * @param m Number of columns.
1289         * @return n-by-m matrix of zero values.
1290         */
1291        private static RealMatrix zeros(int n, int m) {
1292            return new Array2DRowRealMatrix(n, m);
1293        }
1294    
1295        /**
1296         * @param mat Input matrix.
1297         * @param n Number of row replicates.
1298         * @param m Number of column replicates.
1299         * @return a matrix which replicates the input matrix in both directions.
1300         */
1301        private static RealMatrix repmat(final RealMatrix mat, int n, int m) {
1302            final int rd = mat.getRowDimension();
1303            final int cd = mat.getColumnDimension();
1304            final double[][] d = new double[n * rd][m * cd];
1305            for (int r = 0; r < n * rd; r++) {
1306                for (int c = 0; c < m * cd; c++) {
1307                    d[r][c] = mat.getEntry(r % rd, c % cd);
1308                }
1309            }
1310            return new Array2DRowRealMatrix(d, false);
1311        }
1312    
1313        /**
1314         * @param start Start value.
1315         * @param end End value.
1316         * @param step Step size.
1317         * @return a sequence as column matrix.
1318         */
1319        private static RealMatrix sequence(double start, double end, double step) {
1320            final int size = (int) ((end - start) / step + 1);
1321            final double[][] d = new double[size][1];
1322            double value = start;
1323            for (int r = 0; r < size; r++) {
1324                d[r][0] = value;
1325                value += step;
1326            }
1327            return new Array2DRowRealMatrix(d, false);
1328        }
1329    
1330        /**
1331         * @param m Input matrix.
1332         * @return the maximum of the matrix element values.
1333         */
1334        private static double max(final RealMatrix m) {
1335            double max = -Double.MAX_VALUE;
1336            for (int r = 0; r < m.getRowDimension(); r++) {
1337                for (int c = 0; c < m.getColumnDimension(); c++) {
1338                    double e = m.getEntry(r, c);
1339                    if (max < e) {
1340                        max = e;
1341                    }
1342                }
1343            }
1344            return max;
1345        }
1346    
1347        /**
1348         * @param m Input matrix.
1349         * @return the minimum of the matrix element values.
1350         */
1351        private static double min(final RealMatrix m) {
1352            double min = Double.MAX_VALUE;
1353            for (int r = 0; r < m.getRowDimension(); r++) {
1354                for (int c = 0; c < m.getColumnDimension(); c++) {
1355                    double e = m.getEntry(r, c);
1356                    if (min > e) {
1357                        min = e;
1358                    }
1359                }
1360            }
1361            return min;
1362        }
1363    
1364        /**
1365         * @param m Input array.
1366         * @return the maximum of the array values.
1367         */
1368        private static double max(final double[] m) {
1369            double max = -Double.MAX_VALUE;
1370            for (int r = 0; r < m.length; r++) {
1371                if (max < m[r]) {
1372                    max = m[r];
1373                }
1374            }
1375            return max;
1376        }
1377    
1378        /**
1379         * @param m Input array.
1380         * @return the minimum of the array values.
1381         */
1382        private static double min(final double[] m) {
1383            double min = Double.MAX_VALUE;
1384            for (int r = 0; r < m.length; r++) {
1385                if (min > m[r]) {
1386                    min = m[r];
1387                }
1388            }
1389            return min;
1390        }
1391    
1392        /**
1393         * @param indices Input index array.
1394         * @return the inverse of the mapping defined by indices.
1395         */
1396        private static int[] inverse(final int[] indices) {
1397            final int[] inverse = new int[indices.length];
1398            for (int i = 0; i < indices.length; i++) {
1399                inverse[indices[i]] = i;
1400            }
1401            return inverse;
1402        }
1403    
1404        /**
1405         * @param indices Input index array.
1406         * @return the indices in inverse order (last is first).
1407         */
1408        private static int[] reverse(final int[] indices) {
1409            final int[] reverse = new int[indices.length];
1410            for (int i = 0; i < indices.length; i++) {
1411                reverse[i] = indices[indices.length - i - 1];
1412            }
1413            return reverse;
1414        }
1415    
1416        /**
1417         * @param size Length of random array.
1418         * @return an array of Gaussian random numbers.
1419         */
1420        private double[] randn(int size) {
1421            final double[] randn = new double[size];
1422            for (int i = 0; i < size; i++) {
1423                randn[i] = random.nextGaussian();
1424            }
1425            return randn;
1426        }
1427    
1428        /**
1429         * @param size Number of rows.
1430         * @param popSize Population size.
1431         * @return a 2-dimensional matrix of Gaussian random numbers.
1432         */
1433        private RealMatrix randn1(int size, int popSize) {
1434            final double[][] d = new double[size][popSize];
1435            for (int r = 0; r < size; r++) {
1436                for (int c = 0; c < popSize; c++) {
1437                    d[r][c] = random.nextGaussian();
1438                }
1439            }
1440            return new Array2DRowRealMatrix(d, false);
1441        }
1442    }