itkQuasiNewtonLBFGSOptimizer.h

Go to the documentation of this file.

/*=========================================================================
 *
 *  Copyright UMC Utrecht and contributors
 *
 *  Licensed 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.txt
 *
 *  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.
 *
 *=========================================================================*/
 
#ifndef itkQuasiNewtonLBFGSOptimizer_h
#define itkQuasiNewtonLBFGSOptimizer_h
 
#include "itkScaledSingleValuedNonLinearOptimizer.h"
#include "itkLineSearchOptimizer.h"
#include <vector>
 
namespace itk
{
class QuasiNewtonLBFGSOptimizer : public ScaledSingleValuedNonLinearOptimizer
{
public:
  ITK_DISALLOW_COPY_AND_MOVE(QuasiNewtonLBFGSOptimizer);
 
  using Self = QuasiNewtonLBFGSOptimizer;
  using Superclass = ScaledSingleValuedNonLinearOptimizer;
  using Pointer = SmartPointer<Self>;
  using ConstPointer = SmartPointer<const Self>;
 
  itkNewMacro(Self);
  itkTypeMacro(QuasiNewtonLBFGSOptimizer, ScaledSingleValuedNonLinearOptimizer);
 
  using Superclass::ParametersType;
  using Superclass::DerivativeType;
  using Superclass::CostFunctionType;
  using Superclass::ScaledCostFunctionType;
  using Superclass::MeasureType;
  using Superclass::ScalesType;
 
  using RhoType = Array<double>;
  using SType = std::vector<ParametersType>;
  using YType = std::vector<DerivativeType>;
  using DiagonalMatrixType = Array<double>;
  using LineSearchOptimizerType = LineSearchOptimizer;
 
  using LineSearchOptimizerPointer = LineSearchOptimizerType::Pointer;
 
  enum class StopConditionType
  {
    MetricError,
    LineSearchError,
    MaximumNumberOfIterations,
    InvalidDiagonalMatrix,
    GradientMagnitudeTolerance,
    ZeroStep,
    Unknown
  };
 
  void
  StartOptimization() override;
 
  virtual void
  ResumeOptimization();
 
  virtual void
  StopOptimization();
 
  itkGetConstMacro(CurrentIteration, unsigned long);
  itkGetConstMacro(CurrentValue, MeasureType);
  itkGetConstReferenceMacro(CurrentGradient, DerivativeType);
  itkGetConstMacro(InLineSearch, bool);
  itkGetConstReferenceMacro(StopCondition, StopConditionType);
  itkGetConstMacro(CurrentStepLength, double);
 
  itkSetObjectMacro(LineSearchOptimizer, LineSearchOptimizerType);
  itkGetModifiableObjectMacro(LineSearchOptimizer, LineSearchOptimizerType);
 
  itkGetConstMacro(MaximumNumberOfIterations, unsigned long);
  itkSetClampMacro(MaximumNumberOfIterations, unsigned long, 1, NumericTraits<unsigned long>::max());
 
  itkGetConstMacro(GradientMagnitudeTolerance, double);
  itkSetMacro(GradientMagnitudeTolerance, double);
 
  itkSetMacro(Memory, unsigned int);
  itkGetConstMacro(Memory, unsigned int);
 
protected:
  QuasiNewtonLBFGSOptimizer();
  ~QuasiNewtonLBFGSOptimizer() override = default;
 
  // \todo: should be implemented
  void
  PrintSelf(std::ostream &, Indent) const override
  {}
 
  DerivativeType    m_CurrentGradient{};
  MeasureType       m_CurrentValue{ 0.0 };
  unsigned long     m_CurrentIteration{ 0 };
  StopConditionType m_StopCondition{ StopConditionType::Unknown };
  bool              m_Stop{ false };
  double            m_CurrentStepLength{ 0.0 };
 
  bool m_InLineSearch{ false };
 
  RhoType m_Rho{};
  SType   m_S{};
  YType   m_Y{};
 
  unsigned int m_Point{ 0 };
  unsigned int m_PreviousPoint{ 0 };
  unsigned int m_Bound{ 0 };
 
  itkSetMacro(InLineSearch, bool);
 
  virtual void
  ComputeDiagonalMatrix(DiagonalMatrixType & diag_H0);
 
  virtual void
  ComputeSearchDirection(const DerivativeType & gradient, ParametersType & searchDir);
 
  virtual void
  LineSearch(const ParametersType searchDir, double & step, ParametersType & x, MeasureType & f, DerivativeType & g);
 
  virtual void
  StoreCurrentPoint(const ParametersType & step, const DerivativeType & grad_dif);
 
  virtual bool
  TestConvergence(bool firstLineSearchDone);
 
private:
  unsigned long              m_MaximumNumberOfIterations{ 100 };
  double                     m_GradientMagnitudeTolerance{ 1e-5 };
  LineSearchOptimizerPointer m_LineSearchOptimizer{ nullptr };
  unsigned int               m_Memory{ 5 };
};
 
} // end namespace itk
 
/*        LIMITED MEMORY BFGS METHOD FOR LARGE SCALE OPTIMIZATION */
/*                          JORGE NOCEDAL */
/*                        *** July 1990 *** */
 
/*     This subroutine solves the unconstrained minimization problem */
 
/*                      min F(x),    x= (x1,x2,...,xN), */
 
/*      using the limited memory BFGS method. The routine is especially */
/*      effective on problems involving a large number of variables. In */
/*      a typical iteration of this method an approximation Hk to the */
/*      inverse of the Hessian is obtained by applying M BFGS updates to */
/*      a diagonal matrix Hk0, using information from the previous M steps.  */
/*      The user specifies the number M, which determines the amount of */
/*      storage required by the routine. The user may also provide the */
/*      diagonal matrices Hk0 if not satisfied with the default choice. */
/*      The algorithm is described in "On the limited memory BFGS method */
/*      for large scale optimization", by D. Liu and J. Nocedal, */
/*      Mathematical Programming B 45 (1989) 503-528. */
 
/*      The user is required to calculate the function value F and its */
/*      gradient G. In order to allow the user complete control over */
/*      these computations, reverse  communication is used. The routine */
/*      must be called repeatedly under the control of the parameter */
/*      IFLAG. */
 
/*      The steplength is determined at each iteration by means of the */
/*      line search routine MCVSRCH, which is a slight modification of */
/*      the routine CSRCH written by More' and Thuente. */
 
/*      The calling statement is */
 
/*          CALL LBFGS(N,M,X,F,G,DIAGCO,DIAG,IPRINT,EPS,XTOL,W,IFLAG) */
 
/*      where */
 
/*     N       is an INTEGER variable that must be set by the user to the */
/*             number of variables. It is not altered by the routine. */
/*             Restriction: N>0. */
 
/*     M       is an INTEGER variable that must be set by the user to */
/*             the number of corrections used in the BFGS update. It */
/*             is not altered by the routine. Values of M less than 3 are */
/*             not recommended; large values of M will result in excessive */
/*             computing time. 3<= M <=7 is recommended. Restriction: M>0.  */
 
/*     X       is a DOUBLE PRECISION array of length N. On initial entry */
/*             it must be set by the user to the values of the initial */
/*             estimate of the solution vector. On exit with IFLAG=0, it */
/*             contains the values of the variables at the best point */
/*             found (usually a solution). */
 
/*     F       is a DOUBLE PRECISION variable. Before initial entry and on */
/*             a re-entry with IFLAG=1, it must be set by the user to */
/*             contain the value of the function F at the point X. */
 
/*     G       is a DOUBLE PRECISION array of length N. Before initial */
/*             entry and on a re-entry with IFLAG=1, it must be set by */
/*             the user to contain the components of the gradient G at */
/*             the point X. */
 
/*     DIAGCO  is a LOGICAL variable that must be set to .TRUE. if the */
/*             user  wishes to provide the diagonal matrix Hk0 at each */
/*             iteration. Otherwise it should be set to .FALSE., in which */
/*             case  LBFGS will use a default value described below. If */
/*             DIAGCO is set to .TRUE. the routine will return at each */
/*             iteration of the algorithm with IFLAG=2, and the diagonal */
/*              matrix Hk0  must be provided in the array DIAG. */
 
/*     DIAG    is a DOUBLE PRECISION array of length N. If DIAGCO=.TRUE., */
/*             then on initial entry or on re-entry with IFLAG=2, DIAG */
/*             it must be set by the user to contain the values of the */
/*             diagonal matrix Hk0.  Restriction: all elements of DIAG */
/*             must be positive. */
 
/*     IPRINT  is an INTEGER array of length two which must be set by the */
/*             user. */
 
/*             IPRINT(1) specifies the frequency of the output: */
/*                IPRINT(1) < 0 : no output is generated, */
/*                IPRINT(1) = 0 : output only at first and last iteration, */
/*                IPRINT(1) > 0 : output every IPRINT(1) iterations. */
 
/*             IPRINT(2) specifies the type of output generated: */
/*                IPRINT(2) = 0 : iteration count, number of function */
/*                                evaluations, function value, norm of the */
/*                                gradient, and steplength, */
/*                IPRINT(2) = 1 : same as IPRINT(2)=0, plus vector of */
/*                                variables and  gradient vector at the */
/*                                initial point, */
/*                IPRINT(2) = 2 : same as IPRINT(2)=1, plus vector of */
/*                                variables, */
/*                IPRINT(2) = 3 : same as IPRINT(2)=2, plus gradient vector.*/
 
/*    EPS     is a positive DOUBLE PRECISION variable that must be set by */
/*            the user, and determines the accuracy with which the solution*/
/*            is to be found. The subroutine terminates when */
 
/*                         ||G|| < EPS max(1,||X||), */
 
/*            where ||.|| denotes the Euclidean norm. */
 
/*    XTOL    is a  positive DOUBLE PRECISION variable that must be set by */
/*            the user to an estimate of the machine precision (e.g. */
/*            10**(-16) on a SUN station 3/60). The line search routine will*/
/*            terminate if the relative width of the interval of uncertainty*/
/*            is less than XTOL. */
 
/*     W       is a DOUBLE PRECISION array of length N(2M+1)+2M used as */
/*             workspace for LBFGS. This array must not be altered by the */
/*             user. */
 
/*    IFLAG   is an INTEGER variable that must be set to 0 on initial entry*/
/*            to the subroutine. A return with IFLAG<0 indicates an error, */
/*            and IFLAG=0 indicates that the routine has terminated without*/
/*            detecting errors. On a return with IFLAG=1, the user must */
/*            evaluate the function F and gradient G. On a return with */
/*            IFLAG=2, the user must provide the diagonal matrix Hk0. */
 
/*            The following negative values of IFLAG, detecting an error, */
/*            are possible: */
 
/*              IFLAG=-1  The line search routine MCSRCH failed. The */
/*                        parameter INFO provides more detailed information */
/*                        (see also the documentation of MCSRCH): */
 
/*                       INFO = 0  IMPROPER INPUT PARAMETERS. */
 
/*                       INFO = 2  RELATIVE WIDTH OF THE INTERVAL OF */
/*                                 UNCERTAINTY IS AT MOST XTOL. */
 
/*                       INFO = 3  MORE THAN 20 FUNCTION EVALUATIONS WERE */
/*                                 REQUIRED AT THE PRESENT ITERATION. */
 
/*                       INFO = 4  THE STEP IS TOO SMALL. */
 
/*                       INFO = 5  THE STEP IS TOO LARGE. */
 
/*                       INFO = 6  ROUNDING ERRORS PREVENT FURTHER PROGRESS.*/
/*                                 THERE MAY NOT BE A STEP WHICH SATISFIES */
/*                                 THE SUFFICIENT DECREASE AND CURVATURE */
/*                                 CONDITIONS. TOLERANCES MAY BE TOO SMALL.  */
 
/*             IFLAG=-2  The i-th diagonal element of the diagonal inverse */
/*                       Hessian approximation, given in DIAG, is not */
/*                       positive. */
 
/*             IFLAG=-3  Improper input parameters for LBFGS (N or M are */
/*                       not positive). */
 
/*    ON THE DRIVER: */
 
/*    The program that calls LBFGS must contain the declaration: */
 
/*                       EXTERNAL LB2 */
 
/*    LB2 is a BLOCK DATA that defines the default values of several */
/*    parameters described in the COMMON section. */
 
/*    COMMON: */
 
/*     The subroutine contains one common area, which the user may wish to */
/*    reference: */
 
/* awf added stpawf */
 
/*    MP  is an INTEGER variable with default value 6. It is used as the */
/*        unit number for the printing of the monitoring information */
/*        controlled by IPRINT. */
 
/*    LP  is an INTEGER variable with default value 6. It is used as the */
/*        unit number for the printing of error messages. This printing */
/*        may be suppressed by setting LP to a non-positive value. */
 
/*    GTOL is a DOUBLE PRECISION variable with default value 0.9, which */
/*        controls the accuracy of the line search routine MCSRCH. If the */
/*        function and gradient evaluations are inexpensive with respect */
/*        to the cost of the iteration (which is sometimes the case when */
/*        solving very large problems) it may be advantageous to set GTOL */
/*        to a small value. A typical small value is 0.1.  Restriction: */
/*        GTOL should be greater than 1.D-04. */
 
/*    STPMIN and STPMAX are non-negative DOUBLE PRECISION variables which */
/*        specify lower and uper bounds for the step in the line search.  */
/*        Their default values are 1.D-20 and 1.D+20, respectively. These */
/*        values need not be modified unless the exponents are too large */
/*        for the machine being used, or unless the problem is extremely */
/*        badly scaled (in which case the exponents should be increased).  */
 
/*  MACHINE DEPENDENCIES */
 
/*        The only variables that are machine-dependent are XTOL, */
/*        STPMIN and STPMAX. */
 
/*  GENERAL INFORMATION */
 
/*    Other routines called directly:  DAXPY, DDOT, LB1, MCSRCH */
 
/*    Input/Output  :  No input; diagnostic messages on unit MP and */
/*                     error messages on unit LP. */
 
/*    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -*/
 
#endif //#ifndef itkQuasiNewtonLBFGSOptimizer_h