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26 // G4SimplexDownhill inline methods implementa 26 // G4SimplexDownhill inline methods implementation
27 // 27 //
28 // Author: Tatsumi Koi (SLAC/SCCS), 2007 28 // Author: Tatsumi Koi (SLAC/SCCS), 2007
29 // ------------------------------------------- 29 // --------------------------------------------------------------------------
30 30
31 #include <cfloat> 31 #include <cfloat>
32 #include <iostream> 32 #include <iostream>
33 #include <numeric> 33 #include <numeric>
34 34
35 template <class T> 35 template <class T>
36 void G4SimplexDownhill<T>::init() 36 void G4SimplexDownhill<T>::init()
37 { 37 {
38 alpha = 2.0; // refrection coefficient: 0 38 alpha = 2.0; // refrection coefficient: 0 < alpha
39 beta = 0.5; // contraction coefficient: 39 beta = 0.5; // contraction coefficient: 0 < beta < 1
40 gamma = 2.0; // expantion coefficient: 1 < 40 gamma = 2.0; // expantion coefficient: 1 < gamma
41 41
42 maximum_no_trial = 10000; 42 maximum_no_trial = 10000;
43 max_se = FLT_MIN; 43 max_se = FLT_MIN;
44 // max_ratio = FLT_EPSILON/1; 44 // max_ratio = FLT_EPSILON/1;
45 max_ratio = DBL_EPSILON / 1; 45 max_ratio = DBL_EPSILON / 1;
46 minimized = false; 46 minimized = false;
47 } 47 }
48 48
49 /* 49 /*
50 50
51 void G4SimplexDownhill<class T>:: 51 void G4SimplexDownhill<class T>::
52 SetFunction( G4int n , G4double( *afunc )( std 52 SetFunction( G4int n , G4double( *afunc )( std::vector < G4double > ) )
53 { 53 {
54 numberOfVariable = n; 54 numberOfVariable = n;
55 theFunction = afunc; 55 theFunction = afunc;
56 minimized = false; 56 minimized = false;
57 } 57 }
58 58
59 */ 59 */
60 60
61 template <class T> 61 template <class T>
62 G4double G4SimplexDownhill<T>::GetMinimum() 62 G4double G4SimplexDownhill<T>::GetMinimum()
63 { 63 {
64 initialize(); 64 initialize();
65 65
66 // First Tryal; 66 // First Tryal;
67 67
68 // G4cout << "Begin First Trials" << G4endl; 68 // G4cout << "Begin First Trials" << G4endl;
69 doDownhill(); 69 doDownhill();
70 // G4cout << "End First Trials" << G4endl; 70 // G4cout << "End First Trials" << G4endl;
71 71
72 auto it_minh = std::min_element(currentHeigh 72 auto it_minh = std::min_element(currentHeights.cbegin(), currentHeights.cend());
73 G4int imin = 0; 73 G4int imin = 0;
74 G4int i = 0; 74 G4int i = 0;
75 for(auto it = currentHeights.cbegin(); it != 75 for(auto it = currentHeights.cbegin(); it != currentHeights.cend(); ++it)
76 { 76 {
77 if(it == it_minh) 77 if(it == it_minh)
78 { 78 {
79 imin = i; 79 imin = i;
80 } 80 }
81 ++i; 81 ++i;
82 } 82 }
83 minimumPoint = currentSimplex[imin]; 83 minimumPoint = currentSimplex[imin];
84 84
85 // Second Trial 85 // Second Trial
86 86
87 // std::vector< G4double > minimumPoint = cu 87 // std::vector< G4double > minimumPoint = currentSimplex[ 0 ];
88 initialize(); 88 initialize();
89 89
90 currentSimplex[numberOfVariable] = minimumPo 90 currentSimplex[numberOfVariable] = minimumPoint;
91 91
92 // G4cout << "Begin Second Trials" << G4endl 92 // G4cout << "Begin Second Trials" << G4endl;
93 doDownhill(); 93 doDownhill();
94 // G4cout << "End Second Trials" << G4endl; 94 // G4cout << "End Second Trials" << G4endl;
95 95
96 G4double sum = 96 G4double sum =
97 std::accumulate(currentHeights.begin(), cu 97 std::accumulate(currentHeights.begin(), currentHeights.end(), 0.0);
98 G4double average = sum / (numberOfVariable + 98 G4double average = sum / (numberOfVariable + 1);
99 G4double minimum = average; 99 G4double minimum = average;
100 100
101 minimized = true; 101 minimized = true;
102 102
103 return minimum; 103 return minimum;
104 } 104 }
105 105
106 template <class T> 106 template <class T>
107 void G4SimplexDownhill<T>::initialize() 107 void G4SimplexDownhill<T>::initialize()
108 { 108 {
109 currentSimplex.resize(numberOfVariable + 1); 109 currentSimplex.resize(numberOfVariable + 1);
110 currentHeights.resize(numberOfVariable + 1); 110 currentHeights.resize(numberOfVariable + 1);
111 111
112 for(G4int i = 0; i < numberOfVariable; ++i) 112 for(G4int i = 0; i < numberOfVariable; ++i)
113 { 113 {
114 std::vector<G4double> avec(numberOfVariabl 114 std::vector<G4double> avec(numberOfVariable, 0.0);
115 avec[i] = 1.0; 115 avec[i] = 1.0;
116 currentSimplex[i] = std::move(avec); << 116 currentSimplex[i] = avec;
117 } 117 }
118 118
119 // std::vector< G4double > avec ( numberOfVa 119 // std::vector< G4double > avec ( numberOfVariable , 0.0 );
120 std::vector<G4double> avec(numberOfVariable, 120 std::vector<G4double> avec(numberOfVariable, 1);
121 currentSimplex[numberOfVariable] = std::move << 121 currentSimplex[numberOfVariable] = avec;
122 } 122 }
123 123
124 template <class T> 124 template <class T>
125 void G4SimplexDownhill<T>::calHeights() 125 void G4SimplexDownhill<T>::calHeights()
126 { 126 {
127 for(G4int i = 0; i <= numberOfVariable; ++i) 127 for(G4int i = 0; i <= numberOfVariable; ++i)
128 { 128 {
129 currentHeights[i] = getValue(currentSimple 129 currentHeights[i] = getValue(currentSimplex[i]);
130 } 130 }
131 } 131 }
132 132
133 template <class T> 133 template <class T>
134 std::vector<G4double> G4SimplexDownhill<T>::ca 134 std::vector<G4double> G4SimplexDownhill<T>::calCentroid(G4int ih)
135 { 135 {
136 std::vector<G4double> centroid(numberOfVaria 136 std::vector<G4double> centroid(numberOfVariable, 0.0);
137 137
138 G4int i = 0; 138 G4int i = 0;
139 for(const auto & it : currentSimplex) 139 for(const auto & it : currentSimplex)
140 { 140 {
141 if(i != ih) 141 if(i != ih)
142 { 142 {
143 for(G4int j = 0; j < numberOfVariable; + 143 for(G4int j = 0; j < numberOfVariable; ++j)
144 { 144 {
145 centroid[j] += it[j] / numberOfVariabl 145 centroid[j] += it[j] / numberOfVariable;
146 } 146 }
147 } 147 }
148 ++i; 148 ++i;
149 } 149 }
150 150
151 return centroid; 151 return centroid;
152 } 152 }
153 153
154 template <class T> 154 template <class T>
155 std::vector<G4double> G4SimplexDownhill<T>::ge 155 std::vector<G4double> G4SimplexDownhill<T>::getReflectionPoint(
156 std::vector<G4double> p, std::vector<G4doubl 156 std::vector<G4double> p, std::vector<G4double> centroid)
157 { 157 {
158 // G4cout << "Reflection" << G4endl; 158 // G4cout << "Reflection" << G4endl;
159 159
160 std::vector<G4double> reflectionP(numberOfVa 160 std::vector<G4double> reflectionP(numberOfVariable, 0.0);
161 161
162 for(G4int i = 0; i < numberOfVariable; ++i) 162 for(G4int i = 0; i < numberOfVariable; ++i)
163 { 163 {
164 reflectionP[i] = (1 + alpha) * centroid[i] 164 reflectionP[i] = (1 + alpha) * centroid[i] - alpha * p[i];
165 } 165 }
166 166
167 return reflectionP; 167 return reflectionP;
168 } 168 }
169 169
170 template <class T> 170 template <class T>
171 std::vector<G4double> G4SimplexDownhill<T>::ge 171 std::vector<G4double> G4SimplexDownhill<T>::getExpansionPoint(
172 std::vector<G4double> p, std::vector<G4doubl 172 std::vector<G4double> p, std::vector<G4double> centroid)
173 { 173 {
174 // G4cout << "Expantion" << G4endl; 174 // G4cout << "Expantion" << G4endl;
175 175
176 std::vector<G4double> expansionP(numberOfVar 176 std::vector<G4double> expansionP(numberOfVariable, 0.0);
177 177
178 for(G4int i = 0; i < numberOfVariable; ++i) 178 for(G4int i = 0; i < numberOfVariable; ++i)
179 { 179 {
180 expansionP[i] = (1 - gamma) * centroid[i] 180 expansionP[i] = (1 - gamma) * centroid[i] + gamma * p[i];
181 } 181 }
182 182
183 return expansionP; 183 return expansionP;
184 } 184 }
185 185
186 template <class T> 186 template <class T>
187 std::vector<G4double> G4SimplexDownhill<T>::ge 187 std::vector<G4double> G4SimplexDownhill<T>::getContractionPoint(
188 std::vector<G4double> p, std::vector<G4doubl 188 std::vector<G4double> p, std::vector<G4double> centroid)
189 { 189 {
190 std::vector<G4double> contractionP(numberOfV 190 std::vector<G4double> contractionP(numberOfVariable, 0.0);
191 191
192 for(G4int i = 0; i < numberOfVariable; ++i) 192 for(G4int i = 0; i < numberOfVariable; ++i)
193 { 193 {
194 contractionP[i] = (1 - beta) * centroid[i] 194 contractionP[i] = (1 - beta) * centroid[i] + beta * p[i];
195 } 195 }
196 196
197 return contractionP; 197 return contractionP;
198 } 198 }
199 199
200 template <class T> 200 template <class T>
201 G4bool G4SimplexDownhill<T>::isItGoodEnough() 201 G4bool G4SimplexDownhill<T>::isItGoodEnough()
202 { 202 {
>> 203 G4bool result = false;
>> 204
203 G4double sum = 205 G4double sum =
204 std::accumulate(currentHeights.begin(), cu 206 std::accumulate(currentHeights.begin(), currentHeights.end(), 0.0);
205 G4double average = sum / (numberOfVariable + 207 G4double average = sum / (numberOfVariable + 1);
206 208
207 G4double delta = 0.0; 209 G4double delta = 0.0;
208 for(G4int i = 0; i <= numberOfVariable; ++i) 210 for(G4int i = 0; i <= numberOfVariable; ++i)
209 { 211 {
210 delta += std::abs(currentHeights[i] - aver 212 delta += std::abs(currentHeights[i] - average);
211 } 213 }
212 214
213 G4bool result = false; << 215 if(delta / (numberOfVariable + 1) / average < max_ratio)
214 if (average > 0.0) <<
215 { 216 {
216 result = ((delta / (numberOfVariable + 1) << 217 result = true;
217 } 218 }
>> 219
218 return result; 220 return result;
219 } 221 }
220 222
221 template <class T> 223 template <class T>
222 void G4SimplexDownhill<T>::doDownhill() 224 void G4SimplexDownhill<T>::doDownhill()
223 { 225 {
224 G4int nth_trial = 0; 226 G4int nth_trial = 0;
225 227
226 while(nth_trial < maximum_no_trial) 228 while(nth_trial < maximum_no_trial)
227 { 229 {
228 calHeights(); 230 calHeights();
229 231
230 if(isItGoodEnough()) 232 if(isItGoodEnough())
231 { 233 {
232 break; 234 break;
233 } 235 }
234 236
235 auto it_maxh = std::max_element(currentHei 237 auto it_maxh = std::max_element(currentHeights.cbegin(), currentHeights.cend());
236 auto it_minh = std::min_element(currentHei 238 auto it_minh = std::min_element(currentHeights.cbegin(), currentHeights.cend());
237 239
238 G4double h_H = *it_maxh; 240 G4double h_H = *it_maxh;
239 G4double h_L = *it_minh; 241 G4double h_L = *it_minh;
240 242
241 G4int ih = 0; 243 G4int ih = 0;
242 G4int il = 0; 244 G4int il = 0;
243 G4double h_H2 = 0.0; 245 G4double h_H2 = 0.0;
244 G4int i = 0; 246 G4int i = 0;
245 for(auto it = currentHeights.cbegin(); it 247 for(auto it = currentHeights.cbegin(); it != currentHeights.cend(); ++it)
246 { 248 {
247 if(it == it_maxh) 249 if(it == it_maxh)
248 { 250 {
249 ih = i; 251 ih = i;
250 } 252 }
251 else 253 else
252 { 254 {
253 h_H2 = std::max(h_H2, *it); 255 h_H2 = std::max(h_H2, *it);
254 } 256 }
255 257
256 if(it == it_minh) 258 if(it == it_minh)
257 { 259 {
258 il = i; 260 il = i;
259 } 261 }
260 ++i; 262 ++i;
261 } 263 }
262 264
263 std::vector<G4double> centroidPoint = calC 265 std::vector<G4double> centroidPoint = calCentroid(ih);
264 266
265 // REFLECTION 267 // REFLECTION
266 std::vector<G4double> reflectionPoint = 268 std::vector<G4double> reflectionPoint =
267 getReflectionPoint(currentSimplex[ih], c 269 getReflectionPoint(currentSimplex[ih], centroidPoint);
268 270
269 G4double h = getValue(reflectionPoint); 271 G4double h = getValue(reflectionPoint);
270 272
271 if(h <= h_L) 273 if(h <= h_L)
272 { 274 {
273 // EXPANSION 275 // EXPANSION
274 std::vector<G4double> expansionPoint = 276 std::vector<G4double> expansionPoint =
275 getExpansionPoint(reflectionPoint, std << 277 getExpansionPoint(reflectionPoint, centroidPoint);
276 G4double hh = getValue(expansionPoint); 278 G4double hh = getValue(expansionPoint);
277 279
278 if(hh <= h_L) 280 if(hh <= h_L)
279 { 281 {
280 // Replace 282 // Replace
281 currentSimplex[ih] = std::move(expansi << 283 currentSimplex[ih] = expansionPoint;
282 // G4cout << "A" << G4endl; 284 // G4cout << "A" << G4endl;
283 } 285 }
284 else 286 else
285 { 287 {
286 // Replace 288 // Replace
287 currentSimplex[ih] = std::move(reflect << 289 currentSimplex[ih] = reflectionPoint;
288 // G4cout << "B1" << G4endl; 290 // G4cout << "B1" << G4endl;
289 } 291 }
290 } 292 }
291 else 293 else
292 { 294 {
293 if(h <= h_H2) 295 if(h <= h_H2)
294 { 296 {
295 // Replace 297 // Replace
296 currentSimplex[ih] = std::move(reflect << 298 currentSimplex[ih] = reflectionPoint;
297 // G4cout << "B2" << G4endl; 299 // G4cout << "B2" << G4endl;
298 } 300 }
299 else 301 else
300 { 302 {
301 if(h <= h_H) 303 if(h <= h_H)
302 { 304 {
303 // Replace 305 // Replace
304 currentSimplex[ih] = std::move(refle << 306 currentSimplex[ih] = reflectionPoint;
305 // G4cout << "BC" << G4endl; 307 // G4cout << "BC" << G4endl;
306 } 308 }
307 // CONTRACTION 309 // CONTRACTION
308 std::vector<G4double> contractionPoint 310 std::vector<G4double> contractionPoint =
309 getContractionPoint(currentSimplex[i << 311 getContractionPoint(currentSimplex[ih], centroidPoint);
310 G4double hh = getValue(contractionPoin 312 G4double hh = getValue(contractionPoint);
311 if(hh <= h_H) 313 if(hh <= h_H)
312 { 314 {
313 // Replace 315 // Replace
314 currentSimplex[ih] = std::move(contr << 316 currentSimplex[ih] = contractionPoint;
315 // G4cout << "C" << G4endl; 317 // G4cout << "C" << G4endl;
316 } 318 }
317 else 319 else
318 { 320 {
319 // Replace 321 // Replace
320 for(G4int j = 0; j <= numberOfVariab 322 for(G4int j = 0; j <= numberOfVariable; ++j)
321 { 323 {
322 std::vector<G4double> vec(numberOf 324 std::vector<G4double> vec(numberOfVariable, 0.0);
323 for(G4int k = 0; k < numberOfVaria 325 for(G4int k = 0; k < numberOfVariable; ++k)
324 { 326 {
325 vec[k] = (currentSimplex[j][k] + 327 vec[k] = (currentSimplex[j][k] + currentSimplex[il][k]) / 2.0;
326 } 328 }
327 currentSimplex[j] = std::move(vec) << 329 currentSimplex[j] = vec;
328 } 330 }
329 } 331 }
330 } 332 }
331 } 333 }
332 334
333 ++nth_trial; 335 ++nth_trial;
334 } 336 }
335 } 337 }
336 338
337 template <class T> 339 template <class T>
338 std::vector<G4double> G4SimplexDownhill<T>::Ge 340 std::vector<G4double> G4SimplexDownhill<T>::GetMinimumPoint()
339 { 341 {
340 if(!minimized) 342 if(!minimized)
341 { 343 {
342 GetMinimum(); 344 GetMinimum();
343 } 345 }
344 346
345 auto it_minh = std::min_element(currentHeigh 347 auto it_minh = std::min_element(currentHeights.cbegin(), currentHeights.cend());
346 348
347 G4int imin = 0; 349 G4int imin = 0;
348 G4int i = 0; 350 G4int i = 0;
349 for(auto it = currentHeights.cbegin(); it != 351 for(auto it = currentHeights.cbegin(); it != currentHeights.cend(); ++it)
350 { 352 {
351 if(it == it_minh) 353 if(it == it_minh)
352 { 354 {
353 imin = i; 355 imin = i;
354 } 356 }
355 ++i; 357 ++i;
356 } 358 }
357 minimumPoint = currentSimplex[imin]; 359 minimumPoint = currentSimplex[imin];
358 360
359 return minimumPoint; 361 return minimumPoint;
360 } 362 }
361 363