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/*=========================================================================
*
* Copyright NumFOCUS
*
* 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
*
* https://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 itkLBFGS2Optimizerv4_h
#define itkLBFGS2Optimizerv4_h
#include "itkGradientDescentOptimizerv4.h"
#include "ITKOptimizersv4Export.h"
#include <memory>
#include "lbfgs.h"
namespace itk
{
/*** \class LBFGS2Optimizerv4Enums
* \brief Scoped Enum classes for LBFGS2Optimizerv4Template class
* \ingroup ITKOptimizersv4
*/
class LBFGS2Optimizerv4Enums
{
public:
/*** \class LineSearchMethod
* \ingroup ITKOptimizersv4
* Line search method enum
*/
enum class LineSearchMethod : uint8_t
{
/** The default algorithm (MoreThuente method). */
LINESEARCH_DEFAULT = 0,
/** MoreThuente method proposed by More and Thuente. */
LINESEARCH_MORETHUENTE = 0,
/**
* Backtracking method with the Armijo condition.
* The backtracking method finds the step length such that it satisfies
* the sufficient decrease (Armijo) condition,
* - f(x + a * d) <= f(x) + lbfgs_parameter_t::ftol * a * g(x)^T d,
*
* where x is the current point, d is the current search direction, and
* a is the step length.
*/
LINESEARCH_BACKTRACKING_ARMIJO = 1,
/** The backtracking method with the default (regular Wolfe) condition. */
LINESEARCH_BACKTRACKING = 2,
/**
* Backtracking method with regular Wolfe condition.
* The backtracking method finds the step length such that it satisfies
* both the Armijo condition (LINESEARCH_BACKTRACKING_ARMIJO)
* and the curvature condition,
* - g(x + a * d)^T d >= lbfgs_parameter_t::wolfe * g(x)^T d,
*
* where x is the current point, d is the current search direction, and
* a is the step length.
*/
LINESEARCH_BACKTRACKING_WOLFE = 2,
/**
* Backtracking method with strong Wolfe condition.
* The backtracking method finds the step length such that it satisfies
* both the Armijo condition (LINESEARCH_BACKTRACKING_ARMIJO)
* and the following condition,
* - |g(x + a * d)^T d| <= lbfgs_parameter_t::wolfe * |g(x)^T d|,
*
* where x is the current point, d is the current search direction, and
* a is the step length.
*/
LINESEARCH_BACKTRACKING_STRONG_WOLFE = 3,
};
};
// Define how to print enumeration
extern ITKOptimizersv4_EXPORT std::ostream &
operator<<(std::ostream & out, LBFGS2Optimizerv4Enums::LineSearchMethod value);
/**
* \class LBFGS2Optimizerv4Template
* \brief Wrap of the libLBFGS[1] algorithm for use in ITKv4 registration framework.
* LibLBFGS is a translation of LBFGS code by Nocedal [2] and adds the orthantwise
* limited-memory Quasi-Newton method [3] for optimization with L1-norm on the
* parameters.
*
* LBFGS is a quasi-Newton method uses an approximate estimate of the inverse Hessian
* \f$ (\nabla^2 f(x) )^-1 \f$ to scale the gradient step:
* \f[
* x_{n+1} = x_n - s (\nabla^2 f(x_n) )^-1 \nabla f(x)
* \f]
* with \f$ s \f$ the step size.
*
* The inverse Hessian is approximated from the gradients of previous iteration and
* thus only the gradient of the objective function is required.
*
* The step size \f$ s \f$ is determined through line search which defaults to
* the approach by More and Thuente [4]. This line search approach finds a step
* size such that
* \f[
* \lVert \nabla f(x + s (\nabla^2 f(x_n) )^{-1} \nabla f(x) ) \rVert
* \le
* \nu \lVert \nabla f(x) \rVert
* \f]
* The parameter \f$\nu\f$ is set through SetLineSearchAccuracy() (default 0.9)
* and SetGradientLineSearchAccuracy()
*
* Instead of the More-Tunete method, backtracking with three different
* conditions [7] are available and can be set through SetLineSearch():
* - LINESEARCH_BACKTRACKING_ARMIJO
* - LINESEARCH_BACKTRACKING_WOLFE
* - LINESEARCH_BACKTRACKING_STRONG_WOLFE
*
* The optimization stops when either the gradient satisfies the condition
* \f[
* \lVert \nabla f(x) \rVert \le \epsilon \max(1, \lVert X \rVert)
* \f]
* or a maximum number of function evaluations has been reached.
* The tolerance \f$\epsilon\f$ is set through SetSolutionAccuracy()
* (default 1e-5) and the maximum number of function evaluations is set
* through SetMaximumIterations() (default 0 = no maximum).
*
*
* References:
*
* [1] [libLBFGS](https://www.chokkan.org/software/liblbfgs/)
*
* [2] [NETLIB lbfgs](http://users.iems.northwestern.edu/~nocedal/lbfgs.html)
*
* [3] Galen Andrew and Jianfeng Gao.
* Scalable training of L1-regularized log-linear models.
* 24th International Conference on Machine Learning, pp. 33-40, 2007.
*
* [4] Jorge Nocedal.
* Updating Quasi-Newton Matrices with Limited Storage.
* Mathematics of Computation, Vol. 35, No. 151, pp. 773-782, 1980.
*
* [5] Dong C. Liu and Jorge Nocedal.
* On the limited memory BFGS method for large scale optimization.
* Mathematical Programming B, Vol. 45, No. 3, pp. 503-528, 1989.
*
* [6] More, J. J. and D. J. Thuente.
* Line Search Algorithms with Guaranteed Sufficient Decrease.
* ACM Transactions on Mathematical Software 20, no. 3 (1994): 286-307.
*
* [7] John E. Dennis and Robert B. Schnabel.
* Numerical Methods for Unconstrained Optimization and Nonlinear Equations,
* Englewood Cliffs, 1983.
*
* \ingroup ITKOptimizersv4
*/
template <typename TInternalComputationValueType>
class ITK_TEMPLATE_EXPORT LBFGS2Optimizerv4Template
: public GradientDescentOptimizerv4Template<TInternalComputationValueType>
{
public:
ITK_DISALLOW_COPY_AND_MOVE(LBFGS2Optimizerv4Template);
using LineSearchMethodEnum = LBFGS2Optimizerv4Enums::LineSearchMethod;
#if !defined(ITK_LEGACY_REMOVE)
/**Exposes enums values for backwards compatibility*/
static constexpr LineSearchMethodEnum LINESEARCH_DEFAULT = LineSearchMethodEnum::LINESEARCH_DEFAULT;
static constexpr LineSearchMethodEnum LINESEARCH_MORETHUENTE = LineSearchMethodEnum::LINESEARCH_MORETHUENTE;
static constexpr LineSearchMethodEnum LINESEARCH_BACKTRACKING_ARMIJO =
LineSearchMethodEnum::LINESEARCH_BACKTRACKING_ARMIJO;
static constexpr LineSearchMethodEnum LINESEARCH_BACKTRACKING = LineSearchMethodEnum::LINESEARCH_BACKTRACKING;
static constexpr LineSearchMethodEnum LINESEARCH_BACKTRACKING_WOLFE =
LineSearchMethodEnum::LINESEARCH_BACKTRACKING_WOLFE;
static constexpr LineSearchMethodEnum LINESEARCH_BACKTRACKING_STRONG_WOLFE =
LineSearchMethodEnum::LINESEARCH_BACKTRACKING_STRONG_WOLFE;
#endif
/**
* TODO: currently only double is used in lbfgs need to figure
* out how to make it a template parameter and set the required
* define so lbfgs.h uses the correct version
**/
using PrecisionType = double;
static_assert(std::is_same<TInternalComputationValueType, double>::value,
"LBFGS2Optimizerv4Template only supports double precision");
/** Standard "Self" type alias. */
using Self = LBFGS2Optimizerv4Template;
using Superclass = GradientDescentOptimizerv4Template<TInternalComputationValueType>;
using Pointer = SmartPointer<Self>;
using ConstPointer = SmartPointer<const Self>;
using MetricType = typename Superclass::MetricType;
using ParametersType = typename Superclass::ParametersType;
using ScalesType = typename Superclass::ScalesType;
/** Stop condition return string type */
using typename Superclass::StopConditionReturnStringType;
/** Method for creation through the object factory. */
itkNewMacro(Self);
/** \see LightObject::GetNameOfClass() */
itkOverrideGetNameOfClassMacro(LBFGS2Optimizerv4Template);
/** Start optimization with an initial value. */
void
StartOptimization(bool doOnlyInitialization = false) override;
/** Resume optimization.
* This runs the optimization loop, and allows continuation
* of stopped optimization */
void
ResumeOptimization() override;
virtual const StopConditionReturnStringType
GetStopConditionDescription() const override;
/**
* Set/Get the number of corrections to approximate the inverse hessian matrix.
* The L-BFGS routine stores the computation results of previous \c m
* iterations to approximate the inverse hessian matrix of the current
* iteration. This parameter controls the size of the limited memories
* (corrections). The default value is \c 6. Values less than \c 3 are
* not recommended. Large values will result in excessive computing time.
*/
void
SetHessianApproximationAccuracy(int m);
int
GetHessianApproximationAccuracy() const;
/**
* Set/Get epsilon for convergence test.
* This parameter determines the accuracy with which the solution is to
* be found. A minimization terminates when
* \f$||g|| < \epsilon * max(1, ||x||)\f$,
* where ||.|| denotes the Euclidean (L2) norm. The default value is
* \c 1e-5.
*/
void
SetSolutionAccuracy(PrecisionType epsilon);
PrecisionType
GetSolutionAccuracy() const;
/**
* Set/Get distance for delta-based convergence test.
* This parameter determines the distance, in iterations, to compute
* the rate of decrease of the objective function. If the value of this
* parameter is zero, the library does not perform the delta-based
* convergence test. The default value is \c 0.
*/
void
SetDeltaConvergenceDistance(int nPast);
int
GetDeltaConvergenceDistance() const;
/**
* Delta for convergence test.
* This parameter determines the minimum rate of decrease of the
* objective function. The library stops iterations when the
* following condition is met:
* \f$(f' - f) / f < \delta\f$,
* where f' is the objective value of past iterations ago, and f is
* the objective value of the current iteration.
* The default value is \c 0.
*/
void
SetDeltaConvergenceTolerance(PrecisionType tol);
PrecisionType
GetDeltaConvergenceTolerance() const;
/**
* The maximum number of iterations.
* The lbfgs() function terminates an optimization process with
* \c LBFGSERR_MAXIMUMITERATION status code when the iteration count
* exceeds this parameter. Setting this parameter to zero continues an
* optimization process until a convergence or error. The default value
* is \c 0.
*/
void
SetMaximumIterations(int maxIterations);
int
GetMaximumIterations() const;
/** Aliased to Set/Get MaximumIterations to match base class interface.
*/
SizeValueType
GetNumberOfIterations() const override
{
return GetMaximumIterations();
}
void
SetNumberOfIterations(const SizeValueType _arg) override
{
SetMaximumIterations(static_cast<int>(_arg));
}
/**
* The line search algorithm.
* This parameter specifies a line search algorithm to be used by the
* L-BFGS routine. See lbfgs.h for enumeration of line search type.
* Defaults to More-Thuente's method.
*/
void
SetLineSearch(const LineSearchMethodEnum & linesearch);
LineSearchMethodEnum
GetLineSearch() const;
/**
* The maximum number of trials for the line search.
* This parameter controls the number of function and gradients evaluations
* per iteration for the line search routine. The default value is \c 20.
*/
void
SetMaximumLineSearchEvaluations(int n);
int
GetMaximumLineSearchEvaluations() const;
/**
* The minimum step of the line search routine.
* The default value is \c 1e-20. This value 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).
*/
void
SetMinimumLineSearchStep(PrecisionType step);
PrecisionType
GetMinimumLineSearchStep() const;
/**
* The maximum step of the line search.
* The default value is \c 1e+20. This value 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).
*/
void
SetMaximumLineSearchStep(PrecisionType step);
PrecisionType
GetMaximumLineSearchStep() const;
/**
* A parameter to control the accuracy of the line search routine.
* The default value is \c 1e-4. This parameter should be greater
* than zero and smaller than \c 0.5.
*/
void
SetLineSearchAccuracy(PrecisionType ftol);
PrecisionType
GetLineSearchAccuracy() const;
/**
* A coefficient for the Wolfe condition.
* This parameter is valid only when the backtracking line-search
* algorithm is used with the Wolfe condition,
* LINESEARCH_BACKTRACKING_STRONG_WOLFE or
* LINESEARCH_BACKTRACKING_WOLFE .
* The default value is \c 0.9. This parameter should be greater
* than the \c ftol parameter and smaller than \c 1.0.
*/
void
SetWolfeCoefficient(PrecisionType wc);
PrecisionType
GetWolfeCoefficient() const;
/**
* A parameter to control the gradient accuracy of the More-Thuente
* line search routine.
* The default value is \c 0.9. 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 this parameter to a small
* value. A typical small value is \c 0.1. This parameter should be
* greater than the \c ftol parameter (\c 1e-4) and smaller than
* \c 1.0.
*/
void
SetLineSearchGradientAccuracy(PrecisionType gtol);
PrecisionType
GetLineSearchGradientAccuracy() const;
/**
* The machine precision for floating-point values.
* This parameter must be a positive value set by a client program to
* estimate the machine precision. The line search routine will terminate
* with the status code (\c LBFGSERR_ROUNDING_ERROR) if the relative width
* of the interval of uncertainty is less than this parameter.
*/
void
SetMachinePrecisionTolerance(PrecisionType xtol);
PrecisionType
GetMachinePrecisionTolerance() const;
/**
* Coefficient for the L1 norm of variables.
* This parameter should be set to zero for standard minimization
* problems. Setting this parameter to a positive value activates
* Orthant-Wise Limited-memory Quasi-Newton (OWL-QN) method, which
* minimizes the objective function F(x) combined with the L1 norm |x|
* of the variables, \f$F(x) + C |x|}. \f$. This parameter is the coefficient
* for the |x|, i.e., C. As the L1 norm |x| is not differentiable at
* zero, the library modifies function and gradient evaluations from
* a client program suitably; a client program thus have only to return
* the function value F(x) and gradients G(x) as usual. The default value
* is zero.
*/
void
SetOrthantwiseCoefficient(PrecisionType orthant_c);
PrecisionType
GetOrthantwiseCoefficient() const;
/**
* Start index for computing L1 norm of the variables.
* This parameter is valid only for OWL-QN method
* (i.e., \f$ orthantwise_c != 0 \f$). This parameter b (0 <= b < N)
* specifies the index number from which the library computes the
* L1 norm of the variables x,
* \f[
* |x| := |x_{b}| + |x_{b+1}| + ... + |x_{N}| .
* \f]
* In other words, variables \f$x_1, ..., x_{b-1}\f$ are not used for
* computing the L1 norm. Setting \c b, (0 < b < N), one can protect
* variables, \f$x_1, ..., x_{b-1}\f$ (e.g., a bias term of logistic
* regression) from being regularized. The default value is zero.
*/
void
SetOrthantwiseStart(int start);
int
GetOrthantwiseStart() const;
/**
* End index for computing L1 norm of the variables.
* This parameter is valid only for OWL-QN method
* (i.e., \f$ orthantwise_c != 0 \f$). This parameter \c e, (0 < e <= N)
* specifies the index number at which the library stops computing the
* L1 norm of the variables x,
*/
void
SetOrthantwiseEnd(int end);
int
GetOrthantwiseEnd() const;
/** Get parameter norm of current iteration */
itkGetConstMacro(CurrentParameterNorm, PrecisionType);
/** Get gradient norm of current iteration */
itkGetConstMacro(CurrentGradientNorm, PrecisionType);
/** Get step size of current iteration */
itkGetConstMacro(CurrentStepSize, PrecisionType);
/** Get number of evaluations for current iteration */
itkGetConstMacro(CurrentNumberOfEvaluations, PrecisionType);
/** Option to use ScalesEstimator for estimating scales at
* *each* iteration. The estimation overrides the scales
* set by SetScales(). Default is true.
*/
itkSetMacro(EstimateScalesAtEachIteration, bool);
itkGetConstReferenceMacro(EstimateScalesAtEachIteration, bool);
itkBooleanMacro(EstimateScalesAtEachIteration);
protected:
LBFGS2Optimizerv4Template();
~LBFGS2Optimizerv4Template() override;
void
PrintSelf(std::ostream & os, Indent indent) const override;
/** Progress callback from libLBFGS forwards it to the specific instance */
static int
UpdateProgressCallback(void * instance,
const PrecisionType * x,
const PrecisionType * g,
const PrecisionType fx,
const PrecisionType xnorm,
const PrecisionType gnorm,
const PrecisionType step,
int n,
int k,
int ls);
/** Update the progress as reported from libLBFSG and notify itkObject */
int
UpdateProgress(const PrecisionType * x,
const PrecisionType * g,
const PrecisionType fx,
const PrecisionType xnorm,
const PrecisionType gnorm,
const PrecisionType step,
int n,
int k,
int ls);
//** Function evaluation callback from libLBFGS forward to instance */
static PrecisionType
EvaluateCostCallback(void * instance,
const PrecisionType * x,
PrecisionType * g,
const int n,
const PrecisionType step);
PrecisionType
EvaluateCost(const PrecisionType * x, PrecisionType * g, const int n, const PrecisionType step);
private:
// Private Implementation (Pimpl), to hide liblbfgs data structures
class PrivateImplementationHolder;
lbfgs_parameter_t m_Parameters{};
bool m_EstimateScalesAtEachIteration{};
double m_CurrentStepSize{};
double m_CurrentParameterNorm{};
double m_CurrentGradientNorm{};
int m_CurrentNumberOfEvaluations{};
int m_StatusCode{};
/**
* itkGradientDecentOptimizerv4Template specific non supported methods.
*/
void SetMinimumConvergenceValue(PrecisionType) override
{
itkWarningMacro("Not supported. Please use LBFGS specific convergence methods.");
};
void SetConvergenceWindowSize(SizeValueType) override
{
itkWarningMacro("Not supported. Please use LBFGS specific convergence methods.");
};
const PrecisionType &
GetConvergenceValue() const override
{
itkWarningMacro("Not supported. Please use LBFGS specific convergence methods.");
static PrecisionType value{};
return value;
};
void
AdvanceOneStep() override
{
itkWarningMacro("LBFGS2Optimizerv4Template does not implement single step advance");
};
};
/** This helps to meet backward compatibility */
using LBFGS2Optimizerv4 = LBFGS2Optimizerv4Template<double>;
} // end namespace itk
#ifndef ITK_MANUAL_INSTANTIATION
# include "itkLBFGS2Optimizerv4.hxx"
#endif
#endif
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