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/*
 * Licensed to the Apache Software Foundation (ASF) under one or more
 * contributor license agreements.  See the NOTICE file distributed with
 * this work for additional information regarding copyright ownership.
 * The ASF licenses this file to You under the Apache License, Version 2.0
 * (the "License"); you may not use this file except in compliance with
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 *      http://www.apache.org/licenses/LICENSE-2.0
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package org.apache.commons.math.optimization.general;

import org.apache.commons.math.FunctionEvaluationException;
import org.apache.commons.math.MaxEvaluationsExceededException;
import org.apache.commons.math.MaxIterationsExceededException;
import org.apache.commons.math.analysis.DifferentiableMultivariateVectorialFunction;
import org.apache.commons.math.analysis.MultivariateMatrixFunction;
import org.apache.commons.math.exception.util.LocalizedFormats;
import org.apache.commons.math.linear.InvalidMatrixException;
import org.apache.commons.math.linear.LUDecompositionImpl;
import org.apache.commons.math.linear.MatrixUtils;
import org.apache.commons.math.linear.RealMatrix;
import org.apache.commons.math.optimization.OptimizationException;
import org.apache.commons.math.optimization.SimpleVectorialValueChecker;
import org.apache.commons.math.optimization.VectorialConvergenceChecker;
import org.apache.commons.math.optimization.DifferentiableMultivariateVectorialOptimizer;
import org.apache.commons.math.optimization.VectorialPointValuePair;
import org.apache.commons.math.util.FastMath;

/**
 * Base class for implementing least squares optimizers.
 * 

This base class handles the boilerplate methods associated to thresholds * settings, jacobian and error estimation.

* @version $Revision: 1073158 $ $Date: 2011-02-21 22:46:52 +0100 (lun. 21 févr. 2011) $ * @since 1.2 * */ public abstract class AbstractLeastSquaresOptimizer implements DifferentiableMultivariateVectorialOptimizer { /** Default maximal number of iterations allowed. */ public static final int DEFAULT_MAX_ITERATIONS = 100; /** Convergence checker. */ protected VectorialConvergenceChecker checker; /** * Jacobian matrix. *

This matrix is in canonical form just after the calls to * {@link #updateJacobian()}, but may be modified by the solver * in the derived class (the {@link LevenbergMarquardtOptimizer * Levenberg-Marquardt optimizer} does this).

*/ protected double[][] jacobian; /** Number of columns of the jacobian matrix. */ protected int cols; /** Number of rows of the jacobian matrix. */ protected int rows; /** * Target value for the objective functions at optimum. * @since 2.1 */ protected double[] targetValues; /** * Weight for the least squares cost computation. * @since 2.1 */ protected double[] residualsWeights; /** Current point. */ protected double[] point; /** Current objective function value. */ protected double[] objective; /** Current residuals. */ protected double[] residuals; /** Weighted Jacobian */ protected double[][] wjacobian; /** Weighted residuals */ protected double[] wresiduals; /** Cost value (square root of the sum of the residuals). */ protected double cost; /** Maximal number of iterations allowed. */ private int maxIterations; /** Number of iterations already performed. */ private int iterations; /** Maximal number of evaluations allowed. */ private int maxEvaluations; /** Number of evaluations already performed. */ private int objectiveEvaluations; /** Number of jacobian evaluations. */ private int jacobianEvaluations; /** Objective function. */ private DifferentiableMultivariateVectorialFunction function; /** Objective function derivatives. */ private MultivariateMatrixFunction jF; /** Simple constructor with default settings. *

The convergence check is set to a {@link SimpleVectorialValueChecker} * and the maximal number of evaluation is set to its default value.

*/ protected AbstractLeastSquaresOptimizer() { setConvergenceChecker(new SimpleVectorialValueChecker()); setMaxIterations(DEFAULT_MAX_ITERATIONS); setMaxEvaluations(Integer.MAX_VALUE); } /** {@inheritDoc} */ public void setMaxIterations(int maxIterations) { this.maxIterations = maxIterations; } /** {@inheritDoc} */ public int getMaxIterations() { return maxIterations; } /** {@inheritDoc} */ public int getIterations() { return iterations; } /** {@inheritDoc} */ public void setMaxEvaluations(int maxEvaluations) { this.maxEvaluations = maxEvaluations; } /** {@inheritDoc} */ public int getMaxEvaluations() { return maxEvaluations; } /** {@inheritDoc} */ public int getEvaluations() { return objectiveEvaluations; } /** {@inheritDoc} */ public int getJacobianEvaluations() { return jacobianEvaluations; } /** {@inheritDoc} */ public void setConvergenceChecker(VectorialConvergenceChecker convergenceChecker) { this.checker = convergenceChecker; } /** {@inheritDoc} */ public VectorialConvergenceChecker getConvergenceChecker() { return checker; } /** Increment the iterations counter by 1. * @exception OptimizationException if the maximal number * of iterations is exceeded */ protected void incrementIterationsCounter() throws OptimizationException { if (++iterations > maxIterations) { throw new OptimizationException(new MaxIterationsExceededException(maxIterations)); } } /** * Update the jacobian matrix. * @exception FunctionEvaluationException if the function jacobian * cannot be evaluated or its dimension doesn't match problem dimension */ protected void updateJacobian() throws FunctionEvaluationException { ++jacobianEvaluations; jacobian = jF.value(point); if (jacobian.length != rows) { throw new FunctionEvaluationException(point, LocalizedFormats.DIMENSIONS_MISMATCH_SIMPLE, jacobian.length, rows); } for (int i = 0; i < rows; i++) { final double[] ji = jacobian[i]; double wi = FastMath.sqrt(residualsWeights[i]); for (int j = 0; j < cols; ++j) { ji[j] *= -1.0; wjacobian[i][j] = ji[j]*wi; } } } /** * Update the residuals array and cost function value. * @exception FunctionEvaluationException if the function cannot be evaluated * or its dimension doesn't match problem dimension or maximal number of * of evaluations is exceeded */ protected void updateResidualsAndCost() throws FunctionEvaluationException { if (++objectiveEvaluations > maxEvaluations) { throw new FunctionEvaluationException(new MaxEvaluationsExceededException(maxEvaluations), point); } objective = function.value(point); if (objective.length != rows) { throw new FunctionEvaluationException(point, LocalizedFormats.DIMENSIONS_MISMATCH_SIMPLE, objective.length, rows); } cost = 0; int index = 0; for (int i = 0; i < rows; i++) { final double residual = targetValues[i] - objective[i]; residuals[i] = residual; wresiduals[i]= residual*FastMath.sqrt(residualsWeights[i]); cost += residualsWeights[i] * residual * residual; index += cols; } cost = FastMath.sqrt(cost); } /** * Get the Root Mean Square value. * Get the Root Mean Square value, i.e. the root of the arithmetic * mean of the square of all weighted residuals. This is related to the * criterion that is minimized by the optimizer as follows: if * c if the criterion, and n is the number of * measurements, then the RMS is sqrt (c/n). * * @return RMS value */ public double getRMS() { return FastMath.sqrt(getChiSquare() / rows); } /** * Get a Chi-Square-like value assuming the N residuals follow N * distinct normal distributions centered on 0 and whose variances are * the reciprocal of the weights. * @return chi-square value */ public double getChiSquare() { return cost*cost; } /** * Get the covariance matrix of optimized parameters. * @return covariance matrix * @exception FunctionEvaluationException if the function jacobian cannot * be evaluated * @exception OptimizationException if the covariance matrix * cannot be computed (singular problem) */ public double[][] getCovariances() throws FunctionEvaluationException, OptimizationException { // set up the jacobian updateJacobian(); // compute transpose(J).J, avoiding building big intermediate matrices double[][] jTj = new double[cols][cols]; for (int i = 0; i < cols; ++i) { for (int j = i; j < cols; ++j) { double sum = 0; for (int k = 0; k < rows; ++k) { sum += wjacobian[k][i] * wjacobian[k][j]; } jTj[i][j] = sum; jTj[j][i] = sum; } } try { // compute the covariance matrix RealMatrix inverse = new LUDecompositionImpl(MatrixUtils.createRealMatrix(jTj)).getSolver().getInverse(); return inverse.getData(); } catch (InvalidMatrixException ime) { throw new OptimizationException(LocalizedFormats.UNABLE_TO_COMPUTE_COVARIANCE_SINGULAR_PROBLEM); } } /** * Guess the errors in optimized parameters. *

Guessing is covariance-based, it only gives rough order of magnitude.

* @return errors in optimized parameters * @exception FunctionEvaluationException if the function jacobian cannot b evaluated * @exception OptimizationException if the covariances matrix cannot be computed * or the number of degrees of freedom is not positive (number of measurements * lesser or equal to number of parameters) */ public double[] guessParametersErrors() throws FunctionEvaluationException, OptimizationException { if (rows <= cols) { throw new OptimizationException( LocalizedFormats.NO_DEGREES_OF_FREEDOM, rows, cols); } double[] errors = new double[cols]; final double c = FastMath.sqrt(getChiSquare() / (rows - cols)); double[][] covar = getCovariances(); for (int i = 0; i < errors.length; ++i) { errors[i] = FastMath.sqrt(covar[i][i]) * c; } return errors; } /** {@inheritDoc} */ public VectorialPointValuePair optimize(final DifferentiableMultivariateVectorialFunction f, final double[] target, final double[] weights, final double[] startPoint) throws FunctionEvaluationException, OptimizationException, IllegalArgumentException { if (target.length != weights.length) { throw new OptimizationException(LocalizedFormats.DIMENSIONS_MISMATCH_SIMPLE, target.length, weights.length); } // reset counters iterations = 0; objectiveEvaluations = 0; jacobianEvaluations = 0; // store least squares problem characteristics function = f; jF = f.jacobian(); targetValues = target.clone(); residualsWeights = weights.clone(); this.point = startPoint.clone(); this.residuals = new double[target.length]; // arrays shared with the other private methods rows = target.length; cols = point.length; jacobian = new double[rows][cols]; wjacobian = new double[rows][cols]; wresiduals = new double[rows]; cost = Double.POSITIVE_INFINITY; return doOptimize(); } /** Perform the bulk of optimization algorithm. * @return the point/value pair giving the optimal value for objective function * @exception FunctionEvaluationException if the objective function throws one during * the search * @exception OptimizationException if the algorithm failed to converge * @exception IllegalArgumentException if the start point dimension is wrong */ protected abstract VectorialPointValuePair doOptimize() throws FunctionEvaluationException, OptimizationException, IllegalArgumentException; }




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