annotate scripts/optimization/fsolve.m @ 8592:dacfd030633a

handle sparse jacobians in fsolve
author Jaroslav Hajek <highegg@gmail.com>
date Mon, 26 Jan 2009 15:46:33 +0100
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children 8833c0b18eb2
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1 ## Copyright (C) 2008, 2009 VZLU Prague, a.s.
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2 ##
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3 ## This file is part of Octave.
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4 ##
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5 ## Octave is free software; you can redistribute it and/or modify it
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6 ## under the terms of the GNU General Public License as published by
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7 ## the Free Software Foundation; either version 3 of the License, or (at
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8 ## your option) any later version.
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9 ##
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10 ## Octave is distributed in the hope that it will be useful, but
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11 ## WITHOUT ANY WARRANTY; without even the implied warranty of
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12 ## MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
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13 ## General Public License for more details.
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14 ##
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15 ## You should have received a copy of the GNU General Public License
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16 ## along with Octave; see the file COPYING. If not, see
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17 ## <http://www.gnu.org/licenses/>.
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18 ##
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19 ## Author: Jaroslav Hajek <highegg@gmail.com>
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20
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21 ## -*- texinfo -*-
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22 ## @deftypefn{Function File} {} fsolve (@var{fcn}, @var{x0}, @var{options})
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23 ## @deftypefnx{Function File} {[@var{x}, @var{fvec}, @var{info}, @var{output}, @var{fjac}]} = fsolve (@var{fcn}, @dots{})
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24 ## Solve a system of nonlinear equations defined by the function @var{fcn}.
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25 ## @var{fcn} should accepts a vector (array) defining the unknown variables,
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26 ## and return a vector of left-hand sides of the equations. Right-hand sides
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27 ## are defined to be zeros.
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28 ## In other words, this function attempts to determine a vector @var{x} such
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29 ## that @code{@var{fcn} (@var{x})} gives (approximately) all zeros.
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30 ## @var{x0} determines a starting guess. The shape of @var{x0} is preserved
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31 ## in all calls to @var{fcn}, but otherwise it is treated as a column vector.
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32 ## @var{options} is a structure specifying additional options.
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33 ## Currently, @code{fsolve} recognizes these options:
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34 ## @code{"FunValCheck"}, @code{"OutputFcn"}, @code{"TolX"},
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35 ## @code{"TolFun"}, @code{"MaxIter"}, @code{"MaxFunEvals"},
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36 ## @code{"Jacobian"} and @code{"Updating"}.
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37 ##
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38 ## If @code{"Jacobian"} is @code{"on"}, it specifies that @var{fcn},
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39 ## called with 2 output arguments, also returns the Jacobian matrix
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40 ## of right-hand sides at the requested point. @code{"TolX"} specifies
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41 ## the termination tolerance in the unknown variables, while
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42 ## @code{"TolFun"} is a tolerance for equations. Default is @code{1e1*eps}
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43 ## for @code{"TolX"} and @code{1e2*eps} for @code{"TolFun"}.
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44 ## If @code{"Updating"} is true, the function will attempt to use Broyden
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45 ## updates to update the Jacobian, in order to reduce the amount of jacobian
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46 ## calculations.
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47 ## If your user function always calculates the Jacobian (regardless of number
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48 ## of output arguments), this option provides no advantage and should be set to
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49 ## false.
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50 ##
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51 ## For description of the other options, see @code{optimset}.
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52 ##
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53 ## On return, @var{fval} contains the value of the function @var{fcn}
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54 ## evaluated at @var{x}, and @var{info} may be one of the following values:
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55 ##
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56 ## @table @asis
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57 ## @item 1
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58 ## Converged to a solution point. Relative residual error is less than specified
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59 ## by TolFun.
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60 ## @item 2
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61 ## Last relative step size was less that TolX.
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62 ## @item 3
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63 ## Last relative decrease in residual was less than TolF.
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64 ## @item 0
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65 ## Iteration limit exceeded.
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66 ## @item -3
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67 ## The trust region radius became excessively small.
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68 ## @end table
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69 ##
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70 ## Note: If you only have a single nonlinear equation of one variable, using
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71 ## @code{fzero} is usually a much better idea.
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72 ## @seealso{fzero, optimset}
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73 ## @end deftypefn
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74
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75 function [x, fvec, info, output, fjac] = fsolve (fcn, x0, options)
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76
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77 if (nargin < 3)
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78 options = struct ();
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79 endif
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80
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81 xsiz = size (x0);
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82 n = numel (x0);
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83
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84 has_jac = strcmpi (optimget (options, "Jacobian", "off"), "on");
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85 maxiter = optimget (options, "MaxIter", Inf);
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86 maxfev = optimget (options, "MaxFunEvals", Inf);
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87 outfcn = optimget (options, "OutputFcn");
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88 updating = optimget (options, "Updating", true);
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89
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90 funvalchk = strcmpi (optimget (options, "FunValCheck", "off"), "on");
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91
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92 if (funvalchk)
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93 ## Replace fun with a guarded version.
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94 fun = @(x) guarded_eval (fun, x);
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95 endif
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96
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97 ## These defaults are rather stringent. I think that normally, user
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98 ## prefers accuracy to performance.
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99
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100 macheps = eps (class (x0));
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101
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102 tolx = optimget (options, "TolX", sqrt (macheps));
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103 tolf = optimget (options, "TolFun", sqrt (macheps));
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104
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105 factor = 100;
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106 ## FIXME: TypicalX corresponds to user scaling (???)
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107 autodg = true;
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108
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109 niter = 1;
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110 nfev = 0;
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111
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112 x = x0(:);
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113 info = 0;
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114
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115 ## Outer loop.
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116 while (niter < maxiter && nfev < maxfev && ! info)
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117
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118 ## Calculate function value and Jacobian (possibly via FD).
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119 ## Handle arbitrary shapes of x and f and remember them.
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120 if (has_jac)
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121 [fvec, fjac] = fcn (reshape (x, xsiz));
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122 ## If the jacobian is sparse, disable Broyden updating.
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123 if (issparse (fjac))
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124 updating = false;
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125 endif
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126 nfev ++;
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127 else
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128 [fvec, fjac] = __fdjac__ (fcn, reshape (x, xsiz));
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129 nfev += 1 + length (x);
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130 endif
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131 fsiz = size (fvec);
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132 fvec = fvec(:);
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133 fn = norm (fvec);
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134 m = length (fvec);
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135 n = length (x);
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136
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137 ## For square and overdetermined systems, we update a (pivoted) QR
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138 ## factorization of the jacobian to avoid solving a full system in each
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139 ## step. In this case, we pass a triangular matrix to __dogleg__.
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140 ## Pivoted QR is used for slightly better robustness and invariance
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141 ## w.r.t. permutations of variables.
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142 useqr = updating && m >= n && n > 10;
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143
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144 if (useqr)
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145 ## Get QR factorization of the jacobian, optionally with column pivoting.
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146 ## TODO: pivoting is only done in the first step, to get invariance
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147 ## w.r.t. permutations of variables. Maybe it could be beneficial to
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148 ## repivot occassionally?
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149 if (niter == 1)
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150 [q, r, p] = qr (fjac, 0);
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151 ## p is a column vector. Blame Matlab for the inconsistency.
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152 ## Octave can handle permutation matrices gracefully.
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153 p = eye (n)(:, p);
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154 else
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155 [q, r] = qr (fjac*p, 0);
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156 endif
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157 endif
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158
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159 ## Get column norms, use them as scaling factors.
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160 jcn = norm (fjac, 'columns').';
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161 if (niter == 1)
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162 if (autodg)
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163 dg = jcn;
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164 dg(dg == 0) = 1;
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165 endif
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166 xn = norm (dg .* x);
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167 ## FIXME: something better?
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168 delta = max (factor * xn, 1);
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169 endif
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170
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171 ## Rescale if necessary.
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172 if (autodg)
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173 dg = max (dg, jcn);
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174 endif
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175
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176 nfail = 0;
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177 nsuc = 0;
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178 ## Inner loop.
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179 while (niter <= maxiter && nfev < maxfev && ! info)
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180
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181 if (useqr)
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182 tr_mat = r;
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183 tr_vec = q'*fvec;
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184 else
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185 tr_mat = fjac;
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186 tr_vec = fvec;
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187 endif
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188
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189 ## Get trust-region model (dogleg) minimizer.
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190 if (useqr)
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191 qtf = q'*fvec;
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192 s = - __dogleg__ (r, qtf, dg, delta);
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193 w = qtf + r * s;
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194 s = p * s;
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195 else
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196 s = - __dogleg__ (fjac, fvec, dg, delta);
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197 w = fvec + fjac * s;
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198 endif
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199
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200 sn = norm (dg .* s);
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201 if (niter == 1)
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202 delta = min (delta, sn);
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203 endif
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204
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205 fvec1 = fcn (reshape (x + s, xsiz)) (:);
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206 fn1 = norm (fvec1);
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207 nfev ++;
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208
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209 if (fn1 < fn)
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210 ## Scaled actual reduction.
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211 actred = 1 - (fn1/fn)^2;
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212 else
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213 actred = -1;
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214 endif
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215
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216 ## Scaled predicted reduction, and ratio.
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217 t = norm (w);
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218 if (t < fn)
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219 prered = 1 - (t/fn)^2;
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220 ratio = actred / prered;
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221 else
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222 prered = 0;
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223 ratio = 0;
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224 endif
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225
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226 ## Update delta.
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227 if (ratio < 0.1)
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228 nsuc = 0;
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229 nfail ++;
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230 delta *= 0.5;
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231 if (delta <= 1e1*macheps*xn)
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232 ## Trust region became uselessly small.
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233 info = -3;
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234 break;
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235 endif
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236 else
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237 nfail = 0;
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238 nsuc ++;
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239 if (abs (1-ratio) <= 0.1)
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240 delta = 2*sn;
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241 elseif (ratio >= 0.5 || nsuc > 1)
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242 delta = max (delta, 2*sn);
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243 endif
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244 endif
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245
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246 if (ratio >= 1e-4)
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247 ## Successful iteration.
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248 x += s;
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249 xn = norm (dg .* x);
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250 fvec = fvec1;
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251 fn = fn1;
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252 niter ++;
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253 endif
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254
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255 ## FIXME: should outputfcn be only called after a successful iteration?
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256 if (outfcn)
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257 optimvalues.iter = niter;
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258 optimvalues.funccount = nfev;
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259 optimvalues.fval = fn;
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260 optimvalues.searchdirection = s;
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261 state = 'iter';
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262 stop = outfcn (x, optimvalues, state);
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263 if (stop)
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264 info = -1;
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265 break;
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266 endif
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267 endif
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268
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269 ## Tests for termination conditions. A mysterious place, anything
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270 ## can happen if you change something here...
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271
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272 ## The rule of thumb (which I'm not sure M*b is quite following)
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273 ## is that for a tolerance that depends on scaling, only 0 makes
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274 ## sense as a default value. But 0 usually means uselessly long
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275 ## iterations, so we need scaling-independent tolerances wherever
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276 ## possible.
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277
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278 ## FIXME -- why tolf*n*xn? If abs (e) ~ abs(x) * eps is a vector
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279 ## of perturbations of x, then norm (fjac*e) <= eps*n*xn, i.e. by
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280 ## tolf ~ eps we demand as much accuracy as we can expect.
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281 if (fn <= tolf*n*xn)
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282 info = 1;
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283 ## The following tests done only after successful step.
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284 elseif (actred > 0)
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285 ## This one is classic. Note that we use scaled variables again,
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286 ## but compare to scaled step, so nothing bad.
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287 if (sn <= tolx*xn)
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288 info = 2;
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289 ## Again a classic one. It seems weird to use the same tolf
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290 ## for two different tests, but that's what M*b manual appears
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291 ## to say.
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292 elseif (actred < tolf)
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293 info = 3;
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294 endif
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295 endif
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296
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297 ## Criterion for recalculating jacobian.
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298 if (! updating || nfail == 2)
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299 break;
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300 endif
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301
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302 ## Compute the scaled Broyden update.
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303 if (useqr)
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304 u = (fvec1 - q*w) / sn;
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305 v = dg .* ((dg .* s) / sn);
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306 v = p' * v;
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307
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308 ## Update the QR factorization.
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309 [q, r] = qrupdate (q, r, u, v);
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310 else
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311 u = (fvec1 - w);
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312 v = dg .* ((dg .* s) / sn);
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313
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314 ## update the jacobian
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315 fjac += u * v';
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316 endif
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317 endwhile
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318 endwhile
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319
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320 ## Restore original shapes.
8306
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321 x = reshape (x, xsiz);
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322 fvec = reshape (fvec, fsiz);
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323
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324 output.iterations = niter;
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325 output.funcCount = nfev;
8306
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326
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327 endfunction
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328
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329 ## An assistant function that evaluates a function handle and checks for
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330 ## bad results.
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331 function fx = guarded_eval (fun, x)
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332 fx = fun (x);
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333 if (! all (isreal (fx)))
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334 error ("fsolve:notreal", "fsolve: non-real value encountered");
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335 elseif (any (isnan (fx)))
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336 error ("fsolve:isnan", "fsolve: NaN value encountered");
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337 endif
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338 endfunction
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339
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340 %!function retval = f (p)
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341 %! x = p(1);
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342 %! y = p(2);
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343 %! z = p(3);
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344 %! retval = zeros (3, 1);
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345 %! retval(1) = sin(x) + y**2 + log(z) - 7;
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346 %! retval(2) = 3*x + 2**y -z**3 + 1;
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347 %! retval(3) = x + y + z - 5;
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348 %!test
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349 %! x_opt = [ 0.599054;
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350 %! 2.395931;
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351 %! 2.005014 ];
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352 %! tol = 1.0e-5;
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353 %! [x, fval, info] = fsolve (@f, [ 0.5; 2.0; 2.5 ]);
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354 %! assert (info > 0);
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355 %! assert (norm (x - x_opt, Inf) < tol);
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356 %! assert (norm (fval) < tol);
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357
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358 %!function retval = f (p)
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359 %! x = p(1);
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360 %! y = p(2);
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361 %! z = p(3);
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362 %! w = p(4);
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363 %! retval = zeros (4, 1);
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364 %! retval(1) = 3*x + 4*y + exp (z + w) - 1.007;
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365 %! retval(2) = 6*x - 4*y + exp (3*z + w) - 11;
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366 %! retval(3) = x^4 - 4*y^2 + 6*z - 8*w - 20;
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367 %! retval(4) = x^2 + 2*y^3 + z - w - 4;
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368 %!test
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369 %! x_opt = [ -0.767297326653401, 0.590671081117440, 1.47190018629642, -1.52719341133957 ];
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370 %! tol = 1.0e-5;
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371 %! [x, fval, info] = fsolve (@f, [-1, 1, 2, -1]);
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372 %! assert (info > 0);
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373 %! assert (norm (x - x_opt, Inf) < tol);
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374 %! assert (norm (fval) < tol);
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375
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376 %!function retval = f (p)
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377 %! x = p(1);
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378 %! y = p(2);
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379 %! z = p(3);
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380 %! retval = zeros (3, 1);
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381 %! retval(1) = sin(x) + y**2 + log(z) - 7;
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382 %! retval(2) = 3*x + 2**y -z**3 + 1;
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383 %! retval(3) = x + y + z - 5;
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384 %! retval(4) = x*x + y - z*log(z) - 1.36;
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385 %!test
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386 %! x_opt = [ 0.599054;
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387 %! 2.395931;
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388 %! 2.005014 ];
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389 %! tol = 1.0e-5;
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390 %! [x, fval, info] = fsolve (@f, [ 0.5; 2.0; 2.5 ]);
8383
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391 %! assert (info > 0);
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392 %! assert (norm (x - x_opt, Inf) < tol);
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393 %! assert (norm (fval) < tol);
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394
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395 %!function retval = f (p)
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396 %! x = p(1);
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397 %! y = p(2);
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398 %! z = p(3);
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399 %! retval = zeros (3, 1);
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400 %! retval(1) = sin(x) + y**2 + log(z) - 7;
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401 %! retval(2) = 3*x + 2**y -z**3 + 1;
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402 %! retval(3) = x + y + z - 5;
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403 %!test
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404 %! x_opt = [ 0.599054;
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405 %! 2.395931;
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406 %! 2.005014 ];
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407 %! tol = 1.0e-5;
8590
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408 %! opt = optimset ("Updating", "qrp");
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409 %! [x, fval, info] = fsolve (@f, [ 0.5; 2.0; 2.5 ], opt);
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410 %! assert (info > 0);
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411 %! assert (norm (x - x_opt, Inf) < tol);
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412 %! assert (norm (fval) < tol);
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413
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414 %!test
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415 %! b0 = 3;
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416 %! a0 = 0.2;
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417 %! x = 0:.5:5;
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418 %! noise = 1e-5 * sin (100*x);
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419 %! y = exp (-a0*x) + b0 + noise;
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420 %! c_opt = [a0, b0];
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421 %! tol = 1e-5;
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422 %!
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423 %! [c, fval, info, output] = fsolve (@(c) (exp(-c(1)*x) + c(2) - y), [0, 0]);
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424 %! assert (info > 0);
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425 %! assert (norm (c - c_opt, Inf) < tol);
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426 %! assert (norm (fval) < norm (noise));
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diff changeset
427