ObjectiveFunction.hpp

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/* *****************************************************************
    MESQUITE -- The Mesh Quality Improvement Toolkit

    Copyright 2004 Sandia Corporation and Argonne National
    Laboratory.  Under the terms of Contract DE-AC04-94AL85000
    with Sandia Corporation, the U.S. Government retains certain
    rights in this software.

    This library is free software; you can redistribute it and/or
    modify it under the terms of the GNU Lesser General Public
    License as published by the Free Software Foundation; either
    version 2.1 of the License, or (at your option) any later version.

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

    You should have received a copy of the GNU Lesser General Public License
    (lgpl.txt) along with this library; if not, write to the Free Software
    Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA

    diachin2@llnl.gov, djmelan@sandia.gov, mbrewer@sandia.gov,
    pknupp@sandia.gov, tleurent@mcs.anl.gov, tmunson@mcs.anl.gov

    (2006) kraftche@cae.wisc.edu

  ***************************************************************** */
// -*- Mode : c++; tab-width: 3; c-tab-always-indent: t; indent-tabs-mode: nil; c-basic-offset: 3
// -*-

/*! \file ObjectiveFunction.hpp

Header file for the MBMesquite::ObjectiveFunction class

  \author Michael Brewer
  \author Thomas Leurent
  \date   2002-05-23
  \author Jason Kraftcheck
  \date   2006-04
 */

#ifndef OBJECTIVE_FUNCTION_HPP
#define OBJECTIVE_FUNCTION_HPP

#include "Mesquite.hpp"

#include <list>
#include <vector>
#include <cstddef>

namespace MBMesquite
{
class PatchData;
class MsqHessian;
class QualityMetric;
class MsqVertex;
class MsqError;
class Vector3D;
class SymMatrix3D;
class Mesh;
class MeshDomain;
class PatchSet;
class Settings;
class MeshDomainAssoc;

/*! \class ObjectiveFunction
     \brief Base class for concrete Objective Functions
     ObjectiveFunction contains a pointer to a QualityMetric.  If
     the ObjectiveFunction is associated with more than one
     QualityMetric (i.e., the Objective is a composite, and the
     composed ObjectiveFunctions are associated with different
     QualityMetrics), then the QualityMetric pointer is set
     to NULL..
    */
class MESQUITE_EXPORT ObjectiveFunction
{
  public:
    enum EvalType
    {
        /** Do not modify or use any accumulated value in the
         *  calculation of the objective function value.
         *  Evaluate the objective function only over the passed
         *  patch.  Used for NASH-type solutions.
         */
        CALCULATE,
        /** Incorporate the evaluation of the passed patch into
         *  the accumulated global objective function value.  This
         *  EvalType is used by the default initialize implemenation,
         *  and need not be considered by ObjectiveFunction
         *  implementations that provide their own implementation of
         *  the initialize method.
         */
        ACCUMULATE,
        /** Save the evaluation over the passed patch such that it
         *  can later be removed from the accumulated global objective
         *  function value.  Assume that the current accumulated
         *  value already includes the evaluation of this patch. Do
         *  *not* modify any accumulated, global value.
         */
        SAVE,
        /** Assume that the patch passed to this call is a modified
         *  version of the patch previously passed with either the
         *  SAVE or UPDATE EvalType specified.  Update the accumulated
         *  global value accordingly (remove previously saved local
         *  data from accumulated value, and incorporate evaluation
         *  over this patch into the accumulated value.)  Save the
         *  necessary data such that the results of incorporaring
         *  the evaluation of this patch into the accumulated global
         *  value can be removed upon a subsequent call with this
         *  EvalType.
         */
        UPDATE,
        /** For this EvalType, the passed back results should be the
         *  same as for the UPDATE EvalType, but any accumulated data
         *  or data corresponding to the previous local values should
         *  *not* be modified.
         */
        TEMPORARY
    };

    // virtual destructor ensures use of polymorphism during destruction
    virtual ~ObjectiveFunction();

    //!\brief Called at start of instruction queue processing
    //!
    //! Do any preliminary global initialization, consistency checking,
    //! etc.  This function is pure-virtual (abstract) in this class
    //! because every practical OF implementation at this time should
    //! have an implementation that at least recursively calls the same
    //! function on the underlying QualityMetric or ObjectiveFunction(s).
    virtual void initialize_queue( MeshDomainAssoc* mesh_and_domain, const Settings* settings, MsqError& err ) = 0;

    /**\brief Initial accumulated value for block coordinate descent algorithms
     *
     * Set accumulated value of objective function to the value for the
     * entire, unmodified mesh.  This is the initial state for a block
     * coordinate descent algorithm.  The ObjectiveFunction will asked
     * to add or remove values for a specific patch of the mesh during
     * the optimization.
     *\param mesh  The Mesh
     *\param domain The MeshDomain
     *\param user_set User-defined patch set - not relevant for most OF templates.
     */
    virtual bool initialize_block_coordinate_descent( MeshDomainAssoc* mesh_and_domain, const Settings* settings,
                                                      PatchSet* user_set, MsqError& err ) = 0;

    /**\brief Evaluate objective function for specified patch.
     *
     * Either evaluate the objective function over the passed patch
     * or update the accumulated, global objective function value for
     * changes in the passed patch, depending on the value of the
     * EvalType.
     *\param type  Evaluation type.
     *\param pd    The patch.
     *\param value_out  The passed-back value of the objective fuction.
     *\param free  If true, incorporate the quality metric values only
     *             for those metric evaluations that depend on at least
     *             one free vertex
     *\return false if any QualityMetric evaluation returned false,
     *        true otherwise.
     */
    virtual bool evaluate( EvalType type, PatchData& pd, double& value_out, bool free, MsqError& err ) = 0;

    /**\brief Evaluate objective function and gradient for specified patch.
     *
     * Either evaluate the objective function over the passed patch
     * or update the accumulated, global objective function value for
     * changes in the passed patch, depending on the value of the
     * EvalType.
     *
     * The default implementation of this function will
     * use the value-only variation of the evaluate method and numerical
     * approximation to calculate gradients.  Whenever possible, objective
     * function implementations should provide more efficient analyical
     * gradient calculations.
     *
     *\param type  Evaluation type.
     *\param pd    The patch.
     *\param value_out  The passed-back value of the objective fuction.
     *\param grad_out The gradient of the OF wrt the coordinates of
     *             each *free* vertex in the patch.
     *\return false if any QualityMetric evaluation returned false,
     *        true otherwise.
     */
    virtual bool evaluate_with_gradient( EvalType type, PatchData& pd, double& value_out,
                                         std::vector< Vector3D >& grad_out, MsqError& err );

    /**\brief Evaluate objective function and diagonal blocks of Hessian for specified patch.
     *
     * Either evaluate the objective function over the passed patch
     * or update the accumulated, global objective function value for
     * changes in the passed patch, depending on the value of the
     * EvalType.
     *
     * The default implementation of this function evaluate the
     * entire Hessian and discard non-diagonal portions.  Concrete
     * objective functions should provide a more efficient implementation
     * that evaluates and accumulates only the required terms.
     *
     *\param type  Evaluation type.
     *\param pd    The patch.
     *\param value_out  The passed-back value of the objective fuction.
     *\param grad_out The gradient of the OF wrt the coordinates of
     *             each *free* vertex in the patch.
     *\param hess_diag_out The diagonal blocks of a Hessian.  I.e. Decompose
     *             the Hessian into 3x3 submatrices and return only the
     *             submatrices (blocks) along the diagonal.
     *\return false if any QualityMetric evaluation returned false,
     *        true otherwise.
     */
    virtual bool evaluate_with_Hessian_diagonal( EvalType type, PatchData& pd, double& value_out,
                                                 std::vector< Vector3D >& grad_out,
                                                 std::vector< SymMatrix3D >& hess_diag_out, MsqError& err );

    /**\brief Evaluate objective function and Hessian for specified patch.
     *
     * Either evaluate the objective function over the passed patch
     * or update the accumulated, global objective function value for
     * changes in the passed patch, depending on the value of the
     * EvalType.
     *
     * The default implementation of this function will fail.
     *
     *\param type  Evaluation type.
     *\param pd    The patch.
     *\param value_out  The passed-back value of the objective fuction.
     *\param grad_out The gradient of the OF wrt the coordinates of
     *             each *free* vertex in the patch.
     *\param Hessian_out The Hessian of the OF wrt the coordinates of
     *             each *free* vertex in the patch.
     *\return false if any QualityMetric evaluation returned false,
     *        true otherwise.
     */
    virtual bool evaluate_with_Hessian( EvalType type, PatchData& pd, double& value_out,
                                        std::vector< Vector3D >& grad_out, MsqHessian& Hessian_out, MsqError& err );

    /**\brief Create copy with same state
     *
     * Create a new instance of the objective function that
     * is a copy of the callee with the same accumulated
     * values, parameters, etc.
     */
    virtual ObjectiveFunction* clone() const = 0;

    /** Clear any values accumulated for BCD-related eval calls */
    virtual void clear() = 0;

    /** Get the minimum number of layers of adjacent elements required
     *  in a patch to evaluate the objective function for a single
     *  free vertex.
     */
    virtual int min_patch_layers() const = 0;

  protected:
    /**\brief Returns eps used in the numerical gradient calculation.
     *
     * Returns an appropiate value (eps) to use as a delta step for
     * MsqVertex vertex in dimension k (i.e. k=0 -> x, k=1 -> y, k=2 -> z).
     * The objective function value at the perturbed vertex position is given
     * in local_val.
     */
    double get_eps( PatchData& pd, EvalType eval_type, double& local_val, int k, size_t vertex_index, MsqError& err );

  private:
    /**\brief Compute numerical approx. of gradient for 1 vertex's coordinates.
     *
     * Compute the numerical approximation of the gradient of the objective
     * function for the coordinates of a single vertex given a patch for
     * which that vertex is the only free vertex.
     *\param type   Evaluation type.
     *\param pd     A patch containing a single free vertex and the
     *              adjacent elements necessary for complete evaluation
     *              of the dependence of the objective fuction on the
     *              coordinates of the free vertex.
     *\param flocal The objective function value for the unmodified
     *              subpatch.  (Output.)
     *\param grad   The gradient of the OF with respect to the coordinates
     *              of the free veretx.  (Output.)
     *\return       The result of calling the ObjectiveFunction::evaluate
     *              method.
     */
    bool compute_subpatch_numerical_gradient( EvalType type, EvalType get_eps_eval_type, PatchData& pd, double& flocal,
                                              Vector3D& grad, MsqError& err );

    bool compute_patch_numerical_gradient( EvalType type, EvalType get_eps_eval_type, PatchData& pd, double& flocal,
                                           std::vector< Vector3D >& grad, MsqError& err );
};

}  // namespace MBMesquite

#endif  // ObjectiveFunction_hpp