MPQC  2.3.1
qnewton.h
1 //
2 // qnewton.h
3 //
4 // Copyright (C) 1996 Limit Point Systems, Inc.
5 //
6 // Author: Curtis Janssen <cljanss@limitpt.com>
7 // Maintainer: LPS
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _math_optimize_qnewton_h
29 #define _math_optimize_qnewton_h
30 
31 #ifdef __GNUC__
32 #pragma interface
33 #endif
34 
35 #include <util/state/state.h>
36 #include <util/class/class.h>
37 #include <math/scmat/matrix.h>
38 #include <math/optimize/function.h>
39 #include <math/optimize/opt.h>
40 #include <math/optimize/update.h>
41 
42 namespace sc {
43 
44 // //////////////////////////////////////////////////////////////////////
45 // newton and related methods
46 
47 
49 class QNewtonOpt: public Optimize {
50 
51  protected:
52  double maxabs_gradient;
53  double accuracy_;
54 
55  RefSymmSCMatrix ihessian_;
56  Ref<HessianUpdate> update_;
57  Ref<LineOpt> lineopt_;
58 
59  int take_newton_step_;
60 
61  int print_hessian_;
62  int print_x_;
63  int print_gradient_;
64  int linear_;
65  int restrict_;
66  int dynamic_grad_acc_;
67  int force_search_;
68  int restart_;
69 
70  public:
107  QNewtonOpt(const Ref<KeyVal>&);
109  ~QNewtonOpt();
110  void save_data_state(StateOut&);
111 
112  void apply_transform(const Ref<NonlinearTransform>&);
113 
114  void init();
115  int update();
116 };
117 
118 }
119 
120 #endif
121 
122 // Local Variables:
123 // mode: c++
124 // c-file-style: "ETS"
125 // End:
sc::RefSymmSCMatrix
The RefSymmSCMatrix class is a smart pointer to an SCSymmSCMatrix specialization.
Definition: matrix.h:261
sc::Ref
A template class that maintains references counts.
Definition: ref.h:332
sc::QNewtonOpt::init
void init()
Initialize the optimizer.
sc::Optimize
The Optimize class is an abstract base class for classes that find the extreme points of Function's.
Definition: opt.h:47
sc::QNewtonOpt::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::StateIn
Restores objects that derive from SavableState.
Definition: statein.h:70
sc::QNewtonOpt::update
int update()
Take a step.
sc::QNewtonOpt::QNewtonOpt
QNewtonOpt(const Ref< KeyVal > &)
The KeyVal constructor.
sc::StateOut
Serializes objects that derive from SavableState.
Definition: stateout.h:61
sc::QNewtonOpt
The QNewtonOpt implements a quasi-Newton optimization scheme.
Definition: qnewton.h:49

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