/* * 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 * the License. You may obtain a copy of the License at * * http://www.apache.org/licenses/LICENSE-2.0 * * Unless required by applicable law or agreed to in writing, software * distributed under the License is distributed on an "AS IS" BASIS, * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. * See the License for the specific language governing permissions and * limitations under the License. */ package org.apache.commons.math3.optimization; import org.apache.commons.math3.analysis.MultivariateFunction; import org.apache.commons.math3.analysis.MultivariateVectorFunction; import org.apache.commons.math3.exception.DimensionMismatchException; import org.apache.commons.math3.linear.RealMatrix; /** * This class converts {@link MultivariateVectorFunction vectorial objective functions} to {@link * MultivariateFunction scalar objective functions} when the goal is to minimize them. * *

This class is mostly used when the vectorial objective function represents a theoretical * result computed from a point set applied to a model and the models point must be adjusted to fit * the theoretical result to some reference observations. The observations may be obtained for * example from physical measurements whether the model is built from theoretical considerations. * *

This class computes a possibly weighted squared sum of the residuals, which is a scalar value. * The residuals are the difference between the theoretical model (i.e. the output of the vectorial * objective function) and the observations. The class implements the {@link MultivariateFunction} * interface and can therefore be minimized by any optimizer supporting scalar objectives * functions.This is one way to perform a least square estimation. There are other ways to do this * without using this converter, as some optimization algorithms directly support vectorial * objective functions. * *

This class support combination of residuals with or without weights and correlations. * * @see MultivariateFunction * @see MultivariateVectorFunction * @deprecated As of 3.1 (to be removed in 4.0). * @since 2.0 */ @Deprecated public class LeastSquaresConverter implements MultivariateFunction { /** Underlying vectorial function. */ private final MultivariateVectorFunction function; /** Observations to be compared to objective function to compute residuals. */ private final double[] observations; /** Optional weights for the residuals. */ private final double[] weights; /** Optional scaling matrix (weight and correlations) for the residuals. */ private final RealMatrix scale; /** * Build a simple converter for uncorrelated residuals with the same weight. * * @param function vectorial residuals function to wrap * @param observations observations to be compared to objective function to compute residuals */ public LeastSquaresConverter( final MultivariateVectorFunction function, final double[] observations) { this.function = function; this.observations = observations.clone(); this.weights = null; this.scale = null; } /** * Build a simple converter for uncorrelated residuals with the specific weights. * *

The scalar objective function value is computed as: * *

     * objective = ∑weighti(observationi-objectivei)2
     * 
* *

Weights can be used for example to combine residuals with different standard deviations. * As an example, consider a residuals array in which even elements are angular measurements in * degrees with a 0.01° standard deviation and odd elements are distance measurements in * meters with a 15m standard deviation. In this case, the weights array should be initialized * with value 1.0/(0.012) in the even elements and 1.0/(15.02) in the odd * elements (i.e. reciprocals of variances). * *

The array computed by the objective function, the observations array and the weights array * must have consistent sizes or a {@link DimensionMismatchException} will be triggered while * computing the scalar objective. * * @param function vectorial residuals function to wrap * @param observations observations to be compared to objective function to compute residuals * @param weights weights to apply to the residuals * @exception DimensionMismatchException if the observations vector and the weights vector * dimensions do not match (objective function dimension is checked only when the {@link * #value(double[])} method is called) */ public LeastSquaresConverter( final MultivariateVectorFunction function, final double[] observations, final double[] weights) { if (observations.length != weights.length) { throw new DimensionMismatchException(observations.length, weights.length); } this.function = function; this.observations = observations.clone(); this.weights = weights.clone(); this.scale = null; } /** * Build a simple converter for correlated residuals with the specific weights. * *

The scalar objective function value is computed as: * *

     * objective = yTy with y = scale×(observation-objective)
     * 
* *

The array computed by the objective function, the observations array and the the scaling * matrix must have consistent sizes or a {@link DimensionMismatchException} will be triggered * while computing the scalar objective. * * @param function vectorial residuals function to wrap * @param observations observations to be compared to objective function to compute residuals * @param scale scaling matrix * @throws DimensionMismatchException if the observations vector and the scale matrix dimensions * do not match (objective function dimension is checked only when the {@link * #value(double[])} method is called) */ public LeastSquaresConverter( final MultivariateVectorFunction function, final double[] observations, final RealMatrix scale) { if (observations.length != scale.getColumnDimension()) { throw new DimensionMismatchException(observations.length, scale.getColumnDimension()); } this.function = function; this.observations = observations.clone(); this.weights = null; this.scale = scale.copy(); } /** {@inheritDoc} */ public double value(final double[] point) { // compute residuals final double[] residuals = function.value(point); if (residuals.length != observations.length) { throw new DimensionMismatchException(residuals.length, observations.length); } for (int i = 0; i < residuals.length; ++i) { residuals[i] -= observations[i]; } // compute sum of squares double sumSquares = 0; if (weights != null) { for (int i = 0; i < residuals.length; ++i) { final double ri = residuals[i]; sumSquares += weights[i] * ri * ri; } } else if (scale != null) { for (final double yi : scale.operate(residuals)) { sumSquares += yi * yi; } } else { for (final double ri : residuals) { sumSquares += ri * ri; } } return sumSquares; } }