Line data    Source code

       1             : /* +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
       2             :    Copyright (c) 2016-2017 The VES code team
       3             :    (see the PEOPLE-VES file at the root of this folder for a list of names)
       4             : 
       5             :    See http://www.ves-code.org for more information.
       6             : 
       7             :    This file is part of VES code module.
       8             : 
       9             :    The VES code module is free software: you can redistribute it and/or modify
      10             :    it under the terms of the GNU Lesser General Public License as published by
      11             :    the Free Software Foundation, either version 3 of the License, or
      12             :    (at your option) any later version.
      13             : 
      14             :    The VES code module is distributed in the hope that it will be useful,
      15             :    but WITHOUT ANY WARRANTY; without even the implied warranty of
      16             :    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
      17             :    GNU Lesser General Public License for more details.
      18             : 
      19             :    You should have received a copy of the GNU Lesser General Public License
      20             :    along with the VES code module.  If not, see <http://www.gnu.org/licenses/>.
      21             : +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ */
      22             : 
      23             : #include "Optimizer.h"
      24             : #include "CoeffsVector.h"
      25             : 
      26             : #include "core/ActionRegister.h"
      27             : 
      28             : 
      29             : namespace PLMD {
      30             : namespace ves {
      31             : 
      32             : //+PLUMEDOC VES_OPTIMIZER OPT_STEEPEST_DECENT
      33             : /*
      34             : Steepest decent optimizer.
      35             : 
      36             : \par Examples
      37             : 
      38             : */
      39             : //+ENDPLUMEDOC
      40             : 
      41           4 : class Opt_SteepestDecent : public Optimizer {
      42             : 
      43             : public:
      44             :   static void registerKeywords(Keywords&);
      45             :   explicit Opt_SteepestDecent(const ActionOptions&);
      46             :   void coeffsUpdate(const unsigned int c_id = 0);
      47             : };
      48             : 
      49             : 
      50        7836 : PLUMED_REGISTER_ACTION(Opt_SteepestDecent,"OPT_STEEPEST_DECENT")
      51             : 
      52             : 
      53           3 : void Opt_SteepestDecent::registerKeywords(Keywords& keys) {
      54           3 :   Optimizer::registerKeywords(keys);
      55           3 :   Optimizer::useFixedStepSizeKeywords(keys);
      56           3 :   Optimizer::useMultipleWalkersKeywords(keys);
      57           3 :   Optimizer::useMaskKeywords(keys);
      58           3 : }
      59             : 
      60             : 
      61           2 : Opt_SteepestDecent::Opt_SteepestDecent(const ActionOptions&ao):
      62           2 :   PLUMED_VES_OPTIMIZER_INIT(ao)
      63             : {
      64           2 :   checkRead();
      65           2 : }
      66             : 
      67             : 
      68          20 : void Opt_SteepestDecent::coeffsUpdate(const unsigned int c_id) {
      69          40 :   Coeffs(c_id) += - StepSize(c_id) * CoeffsMask(c_id) * Gradient(c_id);
      70             :   //
      71          20 :   double aver_decay = 1.0 / ( getIterationCounterDbl() + 1.0 );
      72          40 :   AuxCoeffs(c_id) += aver_decay * ( Coeffs(c_id)-AuxCoeffs(c_id) );
      73             : 
      74          20 : }
      75             : 
      76             : 
      77             : }
      78        5874 : }