Mercurial > octave
annotate scripts/optimization/fminunc.m @ 33625:d213a148b3f1 default tip @
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author | Torsten Lilge <ttl-octave@mailbox.org> |
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date | Sun, 26 May 2024 02:29:44 +0200 |
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1 ######################################################################## |
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2 ## |
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3 ## Copyright (C) 2008-2024 The Octave Project Developers |
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4 ## |
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5 ## See the file COPYRIGHT.md in the top-level directory of this |
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6 ## distribution or <https://octave.org/copyright/>. |
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7 ## |
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8 ## This file is part of Octave. |
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9 ## |
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10 ## Octave is free software: you can redistribute it and/or modify it |
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11 ## under the terms of the GNU General Public License as published by |
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12 ## the Free Software Foundation, either version 3 of the License, or |
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13 ## (at your option) any later version. |
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14 ## |
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15 ## Octave is distributed in the hope that it will be useful, but |
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16 ## WITHOUT ANY WARRANTY; without even the implied warranty of |
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17 ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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18 ## GNU General Public License for more details. |
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19 ## |
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20 ## You should have received a copy of the GNU General Public License |
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21 ## along with Octave; see the file COPYING. If not, see |
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22 ## <https://www.gnu.org/licenses/>. |
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23 ## |
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24 ######################################################################## |
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25 |
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26 ## -*- texinfo -*- |
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27 ## @deftypefn {} {@var{x} =} fminunc (@var{fcn}, @var{x0}) |
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28 ## @deftypefnx {} {@var{x} =} fminunc (@var{fcn}, @var{x0}, @var{options}) |
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29 ## @deftypefnx {} {[@var{x}, @var{fval}] =} fminunc (@var{fcn}, @dots{}) |
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30 ## @deftypefnx {} {[@var{x}, @var{fval}, @var{info}] =} fminunc (@var{fcn}, @dots{}) |
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31 ## @deftypefnx {} {[@var{x}, @var{fval}, @var{info}, @var{output}] =} fminunc (@var{fcn}, @dots{}) |
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32 ## @deftypefnx {} {[@var{x}, @var{fval}, @var{info}, @var{output}, @var{grad}] =} fminunc (@var{fcn}, @dots{}) |
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33 ## @deftypefnx {} {[@var{x}, @var{fval}, @var{info}, @var{output}, @var{grad}, @var{hess}] =} fminunc (@var{fcn}, @dots{}) |
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34 ## Solve an unconstrained optimization problem defined by the function |
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35 ## @var{fcn}. |
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36 ## |
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38 ## @code{@var{fcn} (@var{x})} is a local minimum. |
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39 ## |
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40 ## @var{fcn} is a function handle, inline function, or string containing the |
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41 ## name of the function to evaluate. @var{fcn} should accept a vector (array) |
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42 ## defining the unknown variables, and return the objective function value, |
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43 ## optionally with gradient. |
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44 ## |
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45 ## @var{x0} determines a starting guess. The shape of @var{x0} is preserved in |
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46 ## all calls to @var{fcn}, but otherwise is treated as a column vector. |
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47 ## |
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48 ## @var{options} is a structure specifying additional parameters which |
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49 ## control the algorithm. Currently, @code{fminunc} recognizes these options: |
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50 ## @qcode{"AutoScaling"}, @qcode{"FinDiffType"}, @qcode{"FunValCheck"}, |
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51 ## @qcode{"GradObj"}, @qcode{"MaxFunEvals"}, @qcode{"MaxIter"}, |
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52 ## @qcode{"OutputFcn"}, @qcode{"TolFun"}, @qcode{"TolX"}, @qcode{"TypicalX"}. |
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53 ## |
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54 ## If @qcode{"AutoScaling"} is @qcode{"on"}, the variables will be |
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55 ## automatically scaled according to the column norms of the (estimated) |
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56 ## Jacobian. As a result, @qcode{"TolFun"} becomes scaling-independent. By |
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57 ## default, this option is @qcode{"off"} because it may sometimes deliver |
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58 ## unexpected (though mathematically correct) results. |
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59 ## |
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60 ## If @qcode{"GradObj"} is @qcode{"on"}, it specifies that @var{fcn}---when |
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61 ## called with two output arguments---also returns the Jacobian matrix of |
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62 ## partial first derivatives at the requested point. |
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63 ## |
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64 ## @qcode{"MaxFunEvals"} proscribes the maximum number of function evaluations |
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65 ## before optimization is halted. The default value is |
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66 ## @code{100 * number_of_variables}, i.e., @code{100 * length (@var{x0})}. |
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67 ## The value must be a positive integer. |
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68 ## |
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69 ## @qcode{"MaxIter"} proscribes the maximum number of algorithm iterations |
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70 ## before optimization is halted. The default value is 400. |
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71 ## The value must be a positive integer. |
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72 ## |
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73 ## @qcode{"TolX"} specifies the termination tolerance for the unknown variables |
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74 ## @var{x}, while @qcode{"TolFun"} is a tolerance for the objective function |
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75 ## value @var{fval}. The default is @code{1e-6} for both options. |
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76 ## |
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77 ## For a description of the other options, |
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78 ## @pxref{XREFoptimset,,@code{optimset}}. |
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79 ## |
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81 ## the value of the objective function at @var{x}. |
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82 ## |
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83 ## @var{info} may be one of the following values: |
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84 ## |
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85 ## @table @asis |
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86 ## @item 1 |
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87 ## Converged to a solution point. Relative gradient error is less than |
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89 ## |
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90 ## @item 2 |
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92 ## |
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93 ## @item 3 |
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95 ## |
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96 ## @item 0 |
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97 ## Iteration limit exceeded---either maximum number of algorithm iterations |
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99 ## | |
100 ## @item -1 | |
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101 ## Algorithm terminated by @code{OutputFcn}. |
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102 ## |
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103 ## @item -3 |
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104 ## The trust region radius became excessively small. |
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105 ## @end table |
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106 ## |
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107 ## Optionally, @code{fminunc} can return a structure with convergence |
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108 ## statistics (@var{output}), the output gradient (@var{grad}) at the |
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109 ## solution @var{x}, and approximate Hessian (@var{hess}) at the solution |
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110 ## @var{x}. |
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111 ## |
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112 ## Application Notes: |
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113 ## @enumerate |
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114 ## @item |
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115 ## If the objective function is a single nonlinear equation |
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116 ## of one variable then using @code{fminbnd} is usually a better choice. |
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117 ## @item |
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118 ## The algorithm used by @code{fminunc} is a gradient search which depends |
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119 ## on the objective function being differentiable. If the function has |
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120 ## discontinuities it may be better to use a derivative-free algorithm such as |
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121 ## @code{fminsearch}. |
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122 ## @item |
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123 ## Use @ref{Anonymous Functions} to pass additional parameters to @var{fcn}. |
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124 ## For specific examples of doing so for @code{fminunc} and other |
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125 ## minimization functions see the @ref{Minimizers} section of the GNU Octave |
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126 ## manual. |
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127 ## @end enumerate |
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128 ## @seealso{fminbnd, fminsearch, optimset} |
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129 ## @end deftypefn |
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130 |
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131 ## PKG_ADD: ## Discard result to avoid polluting workspace with ans at startup. |
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132 ## PKG_ADD: [~] = __all_opts__ ("fminunc"); |
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133 |
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134 function [x, fval, info, output, grad, hess] = fminunc (fcn, x0, options = struct ()) |
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135 |
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136 ## Get default options if requested. |
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137 if (nargin == 1 && strcmp (fcn, "defaults")) |
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138 x = struct ("AutoScaling", "off", "FunValCheck", "off", |
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139 "FinDiffType", "forward", "GradObj", "off", |
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140 "MaxFunEvals", [], "MaxIter", 400, "OutputFcn", [], |
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141 "TolFun", 1e-6, "TolX", 1e-6, "TypicalX", []); |
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142 return; |
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143 endif |
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144 |
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145 if (nargin < 2 || ! isnumeric (x0)) |
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146 print_usage (); |
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147 endif |
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148 |
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149 if (ischar (fcn)) |
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150 fcn = str2func (fcn); |
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151 endif |
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152 |
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153 xsz = size (x0); |
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154 n = numel (x0); |
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155 |
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156 has_grad = strcmpi (optimget (options, "GradObj", "off"), "on"); |
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157 cdif = strcmpi (optimget (options, "FinDiffType", "forward"), "central"); |
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158 maxiter = optimget (options, "MaxIter", 400); |
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159 maxfev = optimget (options, "MaxFunEvals", 100*n); |
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160 outfcn = optimget (options, "OutputFcn"); |
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161 |
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162 ## Get scaling matrix using the TypicalX option. If set to "auto", the |
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163 ## scaling matrix is estimated using the Jacobian. |
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164 typicalx = optimget (options, "TypicalX"); |
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165 if (isempty (typicalx)) |
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166 typicalx = ones (n, 1); |
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167 endif |
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168 autoscale = strcmpi (optimget (options, "AutoScaling", "off"), "on"); |
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169 if (! autoscale) |
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170 dg = 1 ./ typicalx; |
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171 endif |
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172 |
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173 funvalchk = strcmpi (optimget (options, "FunValCheck", "off"), "on"); |
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174 |
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175 if (funvalchk) |
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176 ## Replace fcn with a guarded version. |
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177 fcn = @(x) guarded_eval (fcn, x); |
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178 endif |
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179 |
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180 ## These defaults are rather stringent. I think that normally, user |
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181 ## prefers accuracy to performance. |
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182 |
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183 tolx = optimget (options, "TolX", 1e-7); |
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184 tolf = optimget (options, "TolFun", 1e-7); |
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185 |
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186 factor = 0.1; |
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187 ## FIXME: TypicalX corresponds to user scaling (???) |
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188 autodg = true; |
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189 |
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190 niter = 1; |
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191 nfev = 0; |
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192 |
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193 x = x0(:); |
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194 info = 0; |
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195 |
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196 ## Initial evaluation. |
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197 fval = fcn (reshape (x, xsz)); |
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198 n = length (x); |
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199 |
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200 if (! isempty (outfcn)) |
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201 optimvalues.iter = niter; |
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202 optimvalues.funccount = nfev; |
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203 optimvalues.fval = fval; |
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204 optimvalues.searchdirection = zeros (n, 1); |
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205 state = "init"; |
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206 stop = outfcn (x, optimvalues, state); |
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207 if (stop) |
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208 info = -1; |
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209 return; |
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210 endif |
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211 endif |
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212 |
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213 if (isa (x0, "single") || isa (fval, "single")) |
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214 macheps = eps ("single"); |
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215 else |
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216 macheps = eps ("double"); |
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217 endif |
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218 |
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219 nsuciter = 0; |
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220 lastratio = 0; |
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221 |
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222 grad = []; |
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223 |
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224 ## Outer loop. |
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225 while (niter < maxiter && nfev < maxfev && ! info) |
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226 |
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227 grad0 = grad; |
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228 |
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229 ## Calculate function value and gradient (possibly via FD). |
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230 if (has_grad) |
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231 [fval, grad] = fcn (reshape (x, xsz)); |
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232 grad = grad(:); |
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233 nfev += 1; |
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234 else |
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235 grad = __fdjac__ (fcn, reshape (x, xsz), fval, typicalx, cdif)(:); |
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236 nfev += (1 + cdif) * length (x); |
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237 endif |
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238 |
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239 if (niter == 1) |
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240 ## Initialize by identity matrix. |
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241 hesr = eye (n); |
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242 else |
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243 ## Use the damped BFGS formula. |
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244 y = grad - grad0; |
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245 sBs = sumsq (w); |
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246 Bs = hesr' * w; |
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247 sy = y' * s; |
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248 theta = 0.8 / max (1 - sy / sBs, 0.8); |
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249 r = theta * y + (1-theta) * Bs; |
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250 hesr = cholupdate (hesr, r / sqrt (s' * r), "+"); |
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251 [hesr, info] = cholupdate (hesr, Bs / sqrt (sBs), "-"); |
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252 if (info) |
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253 hesr = eye (n); |
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254 endif |
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255 endif |
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256 |
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257 if (autoscale) |
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258 ## Second derivatives approximate the Hessian. |
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259 d2f = norm (hesr, "columns").'; |
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260 if (niter == 1) |
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261 dg = d2f; |
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262 else |
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263 ## FIXME: maybe fixed lower and upper bounds? |
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264 dg = max (0.1*dg, d2f); |
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265 endif |
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266 endif |
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267 |
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268 if (niter == 1) |
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269 xn = norm (dg .* x); |
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270 ## FIXME: something better? |
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271 delta = factor * max (xn, 1); |
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272 endif |
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273 |
18609 | 274 ## FIXME: why tolf*n*xn? If abs (e) ~ abs(x) * eps is a vector |
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275 ## of perturbations of x, then norm (hesr*e) <= eps*xn, i.e., by |
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276 ## tolf ~ eps we demand as much accuracy as we can expect. |
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277 if (norm (grad) <= tolf*n*xn) |
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278 info = 1; |
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279 break; |
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280 endif |
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281 |
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282 suc = false; |
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283 decfac = 0.5; |
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284 |
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285 ## Inner loop. |
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286 while (! suc && niter <= maxiter && nfev < maxfev && ! info) |
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287 |
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288 s = - __doglegm__ (hesr, grad, dg, delta); |
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289 |
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290 sn = norm (dg .* s); |
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291 if (niter == 1) |
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292 delta = min (delta, sn); |
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293 endif |
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294 |
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295 fval1 = fcn (reshape (x + s, xsz))(:); |
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296 nfev += 1; |
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297 |
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298 if (fval1 < fval) |
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299 ## Scaled actual reduction. |
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300 actred = (fval - fval1) / (abs (fval1) + abs (fval)); |
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301 else |
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302 actred = -1; |
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303 endif |
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304 |
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305 w = hesr * s; |
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306 ## Scaled predicted reduction, and ratio. |
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307 t = 1/2 * sumsq (w) + grad'*s; |
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308 if (t < 0) |
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309 prered = -t/(abs (fval) + abs (fval + t)); |
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310 ratio = actred / prered; |
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311 else |
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312 prered = 0; |
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313 ratio = 0; |
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314 endif |
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315 |
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316 ## Update delta. |
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317 if (ratio < min (max (0.1, 0.8*lastratio), 0.9)) |
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318 delta *= decfac; |
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319 decfac ^= 1.4142; |
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320 if (delta <= 10*macheps*xn) |
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321 ## Trust region became uselessly small. |
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322 info = -3; |
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323 break; |
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324 endif |
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325 else |
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326 lastratio = ratio; |
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327 decfac = 0.5; |
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328 if (abs (1-ratio) <= 0.1) |
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329 delta = 1.4142*sn; |
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330 elseif (ratio >= 0.5) |
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331 delta = max (delta, 1.4142*sn); |
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332 endif |
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333 endif |
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334 |
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335 if (ratio >= 1e-4) |
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336 ## Successful iteration. |
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337 x += s; |
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338 xn = norm (dg .* x); |
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339 fval = fval1; |
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340 nsuciter += 1; |
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341 suc = true; |
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342 endif |
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343 |
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344 niter += 1; |
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345 |
18609 | 346 ## FIXME: should outputfcn be called only after a successful iteration? |
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347 if (! isempty (outfcn)) |
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348 optimvalues.iter = niter; |
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349 optimvalues.funccount = nfev; |
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350 optimvalues.fval = fval; |
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351 optimvalues.searchdirection = s; |
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352 state = "iter"; |
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353 stop = outfcn (x, optimvalues, state); |
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354 if (stop) |
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355 info = -1; |
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356 break; |
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357 endif |
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358 endif |
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359 |
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360 ## Tests for termination conditions. A mysterious place, anything |
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361 ## can happen if you change something here... |
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362 |
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363 ## The rule of thumb (which I'm not sure M*b is quite following) |
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364 ## is that for a tolerance that depends on scaling, only 0 makes |
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365 ## sense as a default value. But 0 usually means uselessly long |
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366 ## iterations, so we need scaling-independent tolerances wherever |
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367 ## possible. |
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368 |
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369 ## The following tests done only after successful step. |
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370 if (ratio >= 1e-4) |
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371 ## This one is classic. Note that we use scaled variables again, |
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372 ## but compare to scaled step, so nothing bad. |
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373 if (sn <= tolx*xn) |
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374 info = 2; |
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375 ## Again a classic one. |
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376 elseif (actred < tolf) |
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377 info = 3; |
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378 endif |
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379 endif |
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380 |
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381 endwhile |
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382 endwhile |
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383 |
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384 ## When info != 1, recalculate the gradient and Hessian using the final x. |
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385 if (nargout > 4 && (info == -1 || info == 2 || info == 3)) |
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386 grad0 = grad; |
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387 if (has_grad) |
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388 [fval, grad] = fcn (reshape (x, xsz)); |
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389 grad = grad(:); |
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390 else |
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391 grad = __fdjac__ (fcn, reshape (x, xsz), fval, typicalx, cdif)(:); |
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392 endif |
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393 |
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394 if (nargout > 5) |
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395 ## Use the damped BFGS formula. |
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396 y = grad - grad0; |
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397 sBs = sumsq (w); |
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398 Bs = hesr' * w; |
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399 sy = y' * s; |
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400 theta = 0.8 / max (1 - sy / sBs, 0.8); |
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401 r = theta * y + (1-theta) * Bs; |
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402 hesr = cholupdate (hesr, r / sqrt (s' * r), "+"); |
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403 hesr = cholupdate (hesr, Bs / sqrt (sBs), "-"); |
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404 endif |
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405 ## Return the gradient in the same shape as x |
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406 grad = reshape (grad, xsz); |
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407 endif |
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408 |
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409 ## Restore original shapes. |
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410 x = reshape (x, xsz); |
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411 |
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412 if (nargout > 3) |
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413 output.iterations = niter; |
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414 output.successful = nsuciter; |
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415 output.funcCount = nfev; |
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416 endif |
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417 |
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418 if (nargout > 5) |
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419 hess = hesr'*hesr; |
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420 endif |
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421 |
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422 endfunction |
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423 |
18609 | 424 ## A helper function that evaluates a function and checks for bad results. |
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425 function [fx, gx] = guarded_eval (fcn, x) |
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426 |
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427 if (nargout > 1) |
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428 [fx, gx] = fcn (x); |
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429 else |
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430 fx = fcn (x); |
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431 gx = []; |
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432 endif |
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433 |
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434 if (! (isreal (fx) && isreal (gx))) |
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435 error ("Octave:fminunc:notreal", "fminunc: non-real value encountered"); |
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436 elseif (any (isnan (fx(:)))) |
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437 error ("Octave:fminunc:isnan", "fminunc: NaN value encountered"); |
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438 elseif (any (isinf (fx(:)))) |
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439 error ("Octave:fminunc:isinf", "fminunc: Inf value encountered"); |
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440 endif |
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441 |
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442 endfunction |
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443 |
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444 |
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445 %!function f = __rosenb__ (x) |
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446 %! n = length (x); |
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447 %! f = sumsq (1 - x(1:n-1)) + 100 * sumsq (x(2:n) - x(1:n-1).^2); |
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448 %!endfunction |
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449 %! |
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450 %!test |
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451 %! [x, fval, info, out] = fminunc (@__rosenb__, [5, -5]); |
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452 %! tol = 2e-5; |
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453 %! assert (info > 0); |
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454 %! assert (x, ones (1, 2), tol); |
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455 %! assert (fval, 0, tol); |
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456 %!test |
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457 %! [x, fval, info, out] = fminunc (@__rosenb__, zeros (1, 4)); |
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458 %! tol = 2e-5; |
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459 %! assert (info > 0); |
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460 %! assert (x, ones (1, 4), tol); |
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461 %! assert (fval, 0, tol); |
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462 |
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463 ## Test FunValCheck works correctly |
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464 %!assert (fminunc (@(x) x^2, 1, optimset ("FunValCheck", "on")), 0, 1e-6) |
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465 %!error <non-real value> fminunc (@(x) x + i, 1, optimset ("FunValCheck", "on")) |
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466 %!error <NaN value> fminunc (@(x) x + NaN, 1, optimset ("FunValCheck", "on")) |
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467 %!error <Inf value> fminunc (@(x) x + Inf, 1, optimset ("FunValCheck", "on")) |
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468 |
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469 |
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470 ## Solve the double dogleg trust-region minimization problem: |
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471 ## Minimize 1/2*norm(r*x)^2 subject to the constraint norm(d.*x) <= delta, |
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472 ## x being a convex combination of the gauss-newton and scaled gradient. |
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473 |
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474 ## FIXME: error checks |
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475 ## FIXME: handle singularity, or leave it up to mldivide? |
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476 |
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477 function x = __doglegm__ (r, g, d, delta) |
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478 |
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479 ## Get Gauss-Newton direction. |
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480 b = r' \ g; |
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481 x = r \ b; |
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482 xn = norm (d .* x); |
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483 if (xn > delta) |
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484 ## GN is too big, get scaled gradient. |
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485 s = g ./ d; |
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486 sn = norm (s); |
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487 if (sn > 0) |
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488 ## Normalize and rescale. |
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489 s = (s / sn) ./ d; |
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490 ## Get the line minimizer in s direction. |
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491 tn = norm (r*s); |
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492 snm = (sn / tn) / tn; |
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493 if (snm < delta) |
10549 | 494 ## Get the dogleg path minimizer. |
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495 bn = norm (b); |
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496 dxn = delta/xn; snmd = snm/delta; |
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497 t = (bn/sn) * (bn/xn) * snmd; |
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498 t -= dxn * snmd^2 - sqrt ((t-dxn)^2 + (1-dxn^2)*(1-snmd^2)); |
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499 alpha = dxn*(1-snmd^2) / t; |
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500 else |
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501 alpha = 0; |
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502 endif |
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503 else |
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504 alpha = delta / xn; |
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505 snm = 0; |
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506 endif |
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507 ## Form the appropriate convex combination. |
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508 x = alpha * x + ((1-alpha) * min (snm, delta)) * s; |
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509 endif |
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510 |
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511 endfunction |