scipy 1.16.2__cp311-cp311-win_arm64.whl

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Files changed (1530) hide show
  1. scipy/__config__.py +161 -0
  2. scipy/__init__.py +150 -0
  3. scipy/_cyutility.cp311-win_arm64.lib +0 -0
  4. scipy/_cyutility.cp311-win_arm64.pyd +0 -0
  5. scipy/_distributor_init.py +18 -0
  6. scipy/_lib/__init__.py +14 -0
  7. scipy/_lib/_array_api.py +931 -0
  8. scipy/_lib/_array_api_compat_vendor.py +9 -0
  9. scipy/_lib/_array_api_no_0d.py +103 -0
  10. scipy/_lib/_bunch.py +229 -0
  11. scipy/_lib/_ccallback.py +251 -0
  12. scipy/_lib/_ccallback_c.cp311-win_arm64.lib +0 -0
  13. scipy/_lib/_ccallback_c.cp311-win_arm64.pyd +0 -0
  14. scipy/_lib/_disjoint_set.py +254 -0
  15. scipy/_lib/_docscrape.py +761 -0
  16. scipy/_lib/_elementwise_iterative_method.py +346 -0
  17. scipy/_lib/_fpumode.cp311-win_arm64.lib +0 -0
  18. scipy/_lib/_fpumode.cp311-win_arm64.pyd +0 -0
  19. scipy/_lib/_gcutils.py +105 -0
  20. scipy/_lib/_pep440.py +487 -0
  21. scipy/_lib/_sparse.py +41 -0
  22. scipy/_lib/_test_ccallback.cp311-win_arm64.lib +0 -0
  23. scipy/_lib/_test_ccallback.cp311-win_arm64.pyd +0 -0
  24. scipy/_lib/_test_deprecation_call.cp311-win_arm64.lib +0 -0
  25. scipy/_lib/_test_deprecation_call.cp311-win_arm64.pyd +0 -0
  26. scipy/_lib/_test_deprecation_def.cp311-win_arm64.lib +0 -0
  27. scipy/_lib/_test_deprecation_def.cp311-win_arm64.pyd +0 -0
  28. scipy/_lib/_testutils.py +373 -0
  29. scipy/_lib/_threadsafety.py +58 -0
  30. scipy/_lib/_tmpdirs.py +86 -0
  31. scipy/_lib/_uarray/LICENSE +29 -0
  32. scipy/_lib/_uarray/__init__.py +116 -0
  33. scipy/_lib/_uarray/_backend.py +707 -0
  34. scipy/_lib/_uarray/_uarray.cp311-win_arm64.lib +0 -0
  35. scipy/_lib/_uarray/_uarray.cp311-win_arm64.pyd +0 -0
  36. scipy/_lib/_util.py +1283 -0
  37. scipy/_lib/array_api_compat/__init__.py +22 -0
  38. scipy/_lib/array_api_compat/_internal.py +59 -0
  39. scipy/_lib/array_api_compat/common/__init__.py +1 -0
  40. scipy/_lib/array_api_compat/common/_aliases.py +727 -0
  41. scipy/_lib/array_api_compat/common/_fft.py +213 -0
  42. scipy/_lib/array_api_compat/common/_helpers.py +1058 -0
  43. scipy/_lib/array_api_compat/common/_linalg.py +232 -0
  44. scipy/_lib/array_api_compat/common/_typing.py +192 -0
  45. scipy/_lib/array_api_compat/cupy/__init__.py +13 -0
  46. scipy/_lib/array_api_compat/cupy/_aliases.py +156 -0
  47. scipy/_lib/array_api_compat/cupy/_info.py +336 -0
  48. scipy/_lib/array_api_compat/cupy/_typing.py +31 -0
  49. scipy/_lib/array_api_compat/cupy/fft.py +36 -0
  50. scipy/_lib/array_api_compat/cupy/linalg.py +49 -0
  51. scipy/_lib/array_api_compat/dask/__init__.py +0 -0
  52. scipy/_lib/array_api_compat/dask/array/__init__.py +12 -0
  53. scipy/_lib/array_api_compat/dask/array/_aliases.py +376 -0
  54. scipy/_lib/array_api_compat/dask/array/_info.py +416 -0
  55. scipy/_lib/array_api_compat/dask/array/fft.py +21 -0
  56. scipy/_lib/array_api_compat/dask/array/linalg.py +72 -0
  57. scipy/_lib/array_api_compat/numpy/__init__.py +28 -0
  58. scipy/_lib/array_api_compat/numpy/_aliases.py +190 -0
  59. scipy/_lib/array_api_compat/numpy/_info.py +366 -0
  60. scipy/_lib/array_api_compat/numpy/_typing.py +30 -0
  61. scipy/_lib/array_api_compat/numpy/fft.py +35 -0
  62. scipy/_lib/array_api_compat/numpy/linalg.py +143 -0
  63. scipy/_lib/array_api_compat/torch/__init__.py +22 -0
  64. scipy/_lib/array_api_compat/torch/_aliases.py +855 -0
  65. scipy/_lib/array_api_compat/torch/_info.py +369 -0
  66. scipy/_lib/array_api_compat/torch/_typing.py +3 -0
  67. scipy/_lib/array_api_compat/torch/fft.py +85 -0
  68. scipy/_lib/array_api_compat/torch/linalg.py +121 -0
  69. scipy/_lib/array_api_extra/__init__.py +38 -0
  70. scipy/_lib/array_api_extra/_delegation.py +171 -0
  71. scipy/_lib/array_api_extra/_lib/__init__.py +1 -0
  72. scipy/_lib/array_api_extra/_lib/_at.py +463 -0
  73. scipy/_lib/array_api_extra/_lib/_backends.py +46 -0
  74. scipy/_lib/array_api_extra/_lib/_funcs.py +937 -0
  75. scipy/_lib/array_api_extra/_lib/_lazy.py +357 -0
  76. scipy/_lib/array_api_extra/_lib/_testing.py +278 -0
  77. scipy/_lib/array_api_extra/_lib/_utils/__init__.py +1 -0
  78. scipy/_lib/array_api_extra/_lib/_utils/_compat.py +74 -0
  79. scipy/_lib/array_api_extra/_lib/_utils/_compat.pyi +45 -0
  80. scipy/_lib/array_api_extra/_lib/_utils/_helpers.py +559 -0
  81. scipy/_lib/array_api_extra/_lib/_utils/_typing.py +10 -0
  82. scipy/_lib/array_api_extra/_lib/_utils/_typing.pyi +105 -0
  83. scipy/_lib/array_api_extra/testing.py +359 -0
  84. scipy/_lib/cobyqa/__init__.py +20 -0
  85. scipy/_lib/cobyqa/framework.py +1240 -0
  86. scipy/_lib/cobyqa/main.py +1506 -0
  87. scipy/_lib/cobyqa/models.py +1529 -0
  88. scipy/_lib/cobyqa/problem.py +1296 -0
  89. scipy/_lib/cobyqa/settings.py +132 -0
  90. scipy/_lib/cobyqa/subsolvers/__init__.py +14 -0
  91. scipy/_lib/cobyqa/subsolvers/geometry.py +387 -0
  92. scipy/_lib/cobyqa/subsolvers/optim.py +1203 -0
  93. scipy/_lib/cobyqa/utils/__init__.py +18 -0
  94. scipy/_lib/cobyqa/utils/exceptions.py +22 -0
  95. scipy/_lib/cobyqa/utils/math.py +77 -0
  96. scipy/_lib/cobyqa/utils/versions.py +67 -0
  97. scipy/_lib/decorator.py +399 -0
  98. scipy/_lib/deprecation.py +274 -0
  99. scipy/_lib/doccer.py +366 -0
  100. scipy/_lib/messagestream.cp311-win_arm64.lib +0 -0
  101. scipy/_lib/messagestream.cp311-win_arm64.pyd +0 -0
  102. scipy/_lib/pyprima/__init__.py +212 -0
  103. scipy/_lib/pyprima/cobyla/__init__.py +0 -0
  104. scipy/_lib/pyprima/cobyla/cobyla.py +559 -0
  105. scipy/_lib/pyprima/cobyla/cobylb.py +714 -0
  106. scipy/_lib/pyprima/cobyla/geometry.py +226 -0
  107. scipy/_lib/pyprima/cobyla/initialize.py +215 -0
  108. scipy/_lib/pyprima/cobyla/trustregion.py +492 -0
  109. scipy/_lib/pyprima/cobyla/update.py +289 -0
  110. scipy/_lib/pyprima/common/__init__.py +0 -0
  111. scipy/_lib/pyprima/common/_bounds.py +34 -0
  112. scipy/_lib/pyprima/common/_linear_constraints.py +46 -0
  113. scipy/_lib/pyprima/common/_nonlinear_constraints.py +54 -0
  114. scipy/_lib/pyprima/common/_project.py +173 -0
  115. scipy/_lib/pyprima/common/checkbreak.py +93 -0
  116. scipy/_lib/pyprima/common/consts.py +47 -0
  117. scipy/_lib/pyprima/common/evaluate.py +99 -0
  118. scipy/_lib/pyprima/common/history.py +38 -0
  119. scipy/_lib/pyprima/common/infos.py +30 -0
  120. scipy/_lib/pyprima/common/linalg.py +435 -0
  121. scipy/_lib/pyprima/common/message.py +290 -0
  122. scipy/_lib/pyprima/common/powalg.py +131 -0
  123. scipy/_lib/pyprima/common/preproc.py +277 -0
  124. scipy/_lib/pyprima/common/present.py +5 -0
  125. scipy/_lib/pyprima/common/ratio.py +54 -0
  126. scipy/_lib/pyprima/common/redrho.py +47 -0
  127. scipy/_lib/pyprima/common/selectx.py +296 -0
  128. scipy/_lib/tests/__init__.py +0 -0
  129. scipy/_lib/tests/test__gcutils.py +110 -0
  130. scipy/_lib/tests/test__pep440.py +67 -0
  131. scipy/_lib/tests/test__testutils.py +32 -0
  132. scipy/_lib/tests/test__threadsafety.py +51 -0
  133. scipy/_lib/tests/test__util.py +641 -0
  134. scipy/_lib/tests/test_array_api.py +322 -0
  135. scipy/_lib/tests/test_bunch.py +169 -0
  136. scipy/_lib/tests/test_ccallback.py +196 -0
  137. scipy/_lib/tests/test_config.py +45 -0
  138. scipy/_lib/tests/test_deprecation.py +10 -0
  139. scipy/_lib/tests/test_doccer.py +143 -0
  140. scipy/_lib/tests/test_import_cycles.py +18 -0
  141. scipy/_lib/tests/test_public_api.py +482 -0
  142. scipy/_lib/tests/test_scipy_version.py +28 -0
  143. scipy/_lib/tests/test_tmpdirs.py +48 -0
  144. scipy/_lib/tests/test_warnings.py +137 -0
  145. scipy/_lib/uarray.py +31 -0
  146. scipy/cluster/__init__.py +31 -0
  147. scipy/cluster/_hierarchy.cp311-win_arm64.lib +0 -0
  148. scipy/cluster/_hierarchy.cp311-win_arm64.pyd +0 -0
  149. scipy/cluster/_optimal_leaf_ordering.cp311-win_arm64.lib +0 -0
  150. scipy/cluster/_optimal_leaf_ordering.cp311-win_arm64.pyd +0 -0
  151. scipy/cluster/_vq.cp311-win_arm64.lib +0 -0
  152. scipy/cluster/_vq.cp311-win_arm64.pyd +0 -0
  153. scipy/cluster/hierarchy.py +4348 -0
  154. scipy/cluster/tests/__init__.py +0 -0
  155. scipy/cluster/tests/hierarchy_test_data.py +145 -0
  156. scipy/cluster/tests/test_disjoint_set.py +202 -0
  157. scipy/cluster/tests/test_hierarchy.py +1238 -0
  158. scipy/cluster/tests/test_vq.py +434 -0
  159. scipy/cluster/vq.py +832 -0
  160. scipy/conftest.py +683 -0
  161. scipy/constants/__init__.py +358 -0
  162. scipy/constants/_codata.py +2266 -0
  163. scipy/constants/_constants.py +369 -0
  164. scipy/constants/codata.py +21 -0
  165. scipy/constants/constants.py +53 -0
  166. scipy/constants/tests/__init__.py +0 -0
  167. scipy/constants/tests/test_codata.py +78 -0
  168. scipy/constants/tests/test_constants.py +83 -0
  169. scipy/datasets/__init__.py +90 -0
  170. scipy/datasets/_download_all.py +71 -0
  171. scipy/datasets/_fetchers.py +225 -0
  172. scipy/datasets/_registry.py +26 -0
  173. scipy/datasets/_utils.py +81 -0
  174. scipy/datasets/tests/__init__.py +0 -0
  175. scipy/datasets/tests/test_data.py +128 -0
  176. scipy/differentiate/__init__.py +27 -0
  177. scipy/differentiate/_differentiate.py +1129 -0
  178. scipy/differentiate/tests/__init__.py +0 -0
  179. scipy/differentiate/tests/test_differentiate.py +694 -0
  180. scipy/fft/__init__.py +114 -0
  181. scipy/fft/_backend.py +196 -0
  182. scipy/fft/_basic.py +1650 -0
  183. scipy/fft/_basic_backend.py +197 -0
  184. scipy/fft/_debug_backends.py +22 -0
  185. scipy/fft/_fftlog.py +223 -0
  186. scipy/fft/_fftlog_backend.py +200 -0
  187. scipy/fft/_helper.py +348 -0
  188. scipy/fft/_pocketfft/LICENSE.md +25 -0
  189. scipy/fft/_pocketfft/__init__.py +9 -0
  190. scipy/fft/_pocketfft/basic.py +251 -0
  191. scipy/fft/_pocketfft/helper.py +249 -0
  192. scipy/fft/_pocketfft/pypocketfft.cp311-win_arm64.lib +0 -0
  193. scipy/fft/_pocketfft/pypocketfft.cp311-win_arm64.pyd +0 -0
  194. scipy/fft/_pocketfft/realtransforms.py +109 -0
  195. scipy/fft/_pocketfft/tests/__init__.py +0 -0
  196. scipy/fft/_pocketfft/tests/test_basic.py +1011 -0
  197. scipy/fft/_pocketfft/tests/test_real_transforms.py +505 -0
  198. scipy/fft/_realtransforms.py +706 -0
  199. scipy/fft/_realtransforms_backend.py +63 -0
  200. scipy/fft/tests/__init__.py +0 -0
  201. scipy/fft/tests/mock_backend.py +96 -0
  202. scipy/fft/tests/test_backend.py +98 -0
  203. scipy/fft/tests/test_basic.py +504 -0
  204. scipy/fft/tests/test_fftlog.py +215 -0
  205. scipy/fft/tests/test_helper.py +558 -0
  206. scipy/fft/tests/test_multithreading.py +84 -0
  207. scipy/fft/tests/test_real_transforms.py +247 -0
  208. scipy/fftpack/__init__.py +103 -0
  209. scipy/fftpack/_basic.py +428 -0
  210. scipy/fftpack/_helper.py +115 -0
  211. scipy/fftpack/_pseudo_diffs.py +554 -0
  212. scipy/fftpack/_realtransforms.py +598 -0
  213. scipy/fftpack/basic.py +20 -0
  214. scipy/fftpack/convolve.cp311-win_arm64.lib +0 -0
  215. scipy/fftpack/convolve.cp311-win_arm64.pyd +0 -0
  216. scipy/fftpack/helper.py +19 -0
  217. scipy/fftpack/pseudo_diffs.py +22 -0
  218. scipy/fftpack/realtransforms.py +19 -0
  219. scipy/fftpack/tests/__init__.py +0 -0
  220. scipy/fftpack/tests/fftw_double_ref.npz +0 -0
  221. scipy/fftpack/tests/fftw_longdouble_ref.npz +0 -0
  222. scipy/fftpack/tests/fftw_single_ref.npz +0 -0
  223. scipy/fftpack/tests/test.npz +0 -0
  224. scipy/fftpack/tests/test_basic.py +877 -0
  225. scipy/fftpack/tests/test_helper.py +54 -0
  226. scipy/fftpack/tests/test_import.py +33 -0
  227. scipy/fftpack/tests/test_pseudo_diffs.py +388 -0
  228. scipy/fftpack/tests/test_real_transforms.py +836 -0
  229. scipy/integrate/__init__.py +122 -0
  230. scipy/integrate/_bvp.py +1160 -0
  231. scipy/integrate/_cubature.py +729 -0
  232. scipy/integrate/_dop.cp311-win_arm64.lib +0 -0
  233. scipy/integrate/_dop.cp311-win_arm64.pyd +0 -0
  234. scipy/integrate/_ivp/__init__.py +8 -0
  235. scipy/integrate/_ivp/base.py +290 -0
  236. scipy/integrate/_ivp/bdf.py +478 -0
  237. scipy/integrate/_ivp/common.py +451 -0
  238. scipy/integrate/_ivp/dop853_coefficients.py +193 -0
  239. scipy/integrate/_ivp/ivp.py +755 -0
  240. scipy/integrate/_ivp/lsoda.py +224 -0
  241. scipy/integrate/_ivp/radau.py +572 -0
  242. scipy/integrate/_ivp/rk.py +601 -0
  243. scipy/integrate/_ivp/tests/__init__.py +0 -0
  244. scipy/integrate/_ivp/tests/test_ivp.py +1287 -0
  245. scipy/integrate/_ivp/tests/test_rk.py +37 -0
  246. scipy/integrate/_lebedev.py +5450 -0
  247. scipy/integrate/_lsoda.cp311-win_arm64.lib +0 -0
  248. scipy/integrate/_lsoda.cp311-win_arm64.pyd +0 -0
  249. scipy/integrate/_ode.py +1395 -0
  250. scipy/integrate/_odepack.cp311-win_arm64.lib +0 -0
  251. scipy/integrate/_odepack.cp311-win_arm64.pyd +0 -0
  252. scipy/integrate/_odepack_py.py +273 -0
  253. scipy/integrate/_quad_vec.py +674 -0
  254. scipy/integrate/_quadpack.cp311-win_arm64.lib +0 -0
  255. scipy/integrate/_quadpack.cp311-win_arm64.pyd +0 -0
  256. scipy/integrate/_quadpack_py.py +1283 -0
  257. scipy/integrate/_quadrature.py +1336 -0
  258. scipy/integrate/_rules/__init__.py +12 -0
  259. scipy/integrate/_rules/_base.py +518 -0
  260. scipy/integrate/_rules/_gauss_kronrod.py +202 -0
  261. scipy/integrate/_rules/_gauss_legendre.py +62 -0
  262. scipy/integrate/_rules/_genz_malik.py +210 -0
  263. scipy/integrate/_tanhsinh.py +1385 -0
  264. scipy/integrate/_test_multivariate.cp311-win_arm64.lib +0 -0
  265. scipy/integrate/_test_multivariate.cp311-win_arm64.pyd +0 -0
  266. scipy/integrate/_test_odeint_banded.cp311-win_arm64.lib +0 -0
  267. scipy/integrate/_test_odeint_banded.cp311-win_arm64.pyd +0 -0
  268. scipy/integrate/_vode.cp311-win_arm64.lib +0 -0
  269. scipy/integrate/_vode.cp311-win_arm64.pyd +0 -0
  270. scipy/integrate/dop.py +15 -0
  271. scipy/integrate/lsoda.py +15 -0
  272. scipy/integrate/odepack.py +17 -0
  273. scipy/integrate/quadpack.py +23 -0
  274. scipy/integrate/tests/__init__.py +0 -0
  275. scipy/integrate/tests/test__quad_vec.py +211 -0
  276. scipy/integrate/tests/test_banded_ode_solvers.py +305 -0
  277. scipy/integrate/tests/test_bvp.py +714 -0
  278. scipy/integrate/tests/test_cubature.py +1375 -0
  279. scipy/integrate/tests/test_integrate.py +840 -0
  280. scipy/integrate/tests/test_odeint_jac.py +74 -0
  281. scipy/integrate/tests/test_quadpack.py +680 -0
  282. scipy/integrate/tests/test_quadrature.py +730 -0
  283. scipy/integrate/tests/test_tanhsinh.py +1171 -0
  284. scipy/integrate/vode.py +15 -0
  285. scipy/interpolate/__init__.py +228 -0
  286. scipy/interpolate/_bary_rational.py +715 -0
  287. scipy/interpolate/_bsplines.py +2469 -0
  288. scipy/interpolate/_cubic.py +973 -0
  289. scipy/interpolate/_dfitpack.cp311-win_arm64.lib +0 -0
  290. scipy/interpolate/_dfitpack.cp311-win_arm64.pyd +0 -0
  291. scipy/interpolate/_dierckx.cp311-win_arm64.lib +0 -0
  292. scipy/interpolate/_dierckx.cp311-win_arm64.pyd +0 -0
  293. scipy/interpolate/_fitpack.cp311-win_arm64.lib +0 -0
  294. scipy/interpolate/_fitpack.cp311-win_arm64.pyd +0 -0
  295. scipy/interpolate/_fitpack2.py +2397 -0
  296. scipy/interpolate/_fitpack_impl.py +811 -0
  297. scipy/interpolate/_fitpack_py.py +898 -0
  298. scipy/interpolate/_fitpack_repro.py +996 -0
  299. scipy/interpolate/_interpnd.cp311-win_arm64.lib +0 -0
  300. scipy/interpolate/_interpnd.cp311-win_arm64.pyd +0 -0
  301. scipy/interpolate/_interpolate.py +2266 -0
  302. scipy/interpolate/_ndbspline.py +415 -0
  303. scipy/interpolate/_ndgriddata.py +329 -0
  304. scipy/interpolate/_pade.py +67 -0
  305. scipy/interpolate/_polyint.py +1025 -0
  306. scipy/interpolate/_ppoly.cp311-win_arm64.lib +0 -0
  307. scipy/interpolate/_ppoly.cp311-win_arm64.pyd +0 -0
  308. scipy/interpolate/_rbf.py +290 -0
  309. scipy/interpolate/_rbfinterp.py +550 -0
  310. scipy/interpolate/_rbfinterp_pythran.cp311-win_arm64.lib +0 -0
  311. scipy/interpolate/_rbfinterp_pythran.cp311-win_arm64.pyd +0 -0
  312. scipy/interpolate/_rgi.py +764 -0
  313. scipy/interpolate/_rgi_cython.cp311-win_arm64.lib +0 -0
  314. scipy/interpolate/_rgi_cython.cp311-win_arm64.pyd +0 -0
  315. scipy/interpolate/dfitpack.py +24 -0
  316. scipy/interpolate/fitpack.py +31 -0
  317. scipy/interpolate/fitpack2.py +29 -0
  318. scipy/interpolate/interpnd.py +24 -0
  319. scipy/interpolate/interpolate.py +30 -0
  320. scipy/interpolate/ndgriddata.py +23 -0
  321. scipy/interpolate/polyint.py +24 -0
  322. scipy/interpolate/rbf.py +18 -0
  323. scipy/interpolate/tests/__init__.py +0 -0
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  1520. scipy/stats/tests/test_survival.py +466 -0
  1521. scipy/stats/tests/test_tukeylambda_stats.py +85 -0
  1522. scipy/stats/tests/test_variation.py +216 -0
  1523. scipy/version.py +12 -0
  1524. scipy-1.16.2.dist-info/DELVEWHEEL +2 -0
  1525. scipy-1.16.2.dist-info/LICENSE.txt +912 -0
  1526. scipy-1.16.2.dist-info/METADATA +1061 -0
  1527. scipy-1.16.2.dist-info/RECORD +1530 -0
  1528. scipy-1.16.2.dist-info/WHEEL +4 -0
  1529. scipy.libs/msvcp140-5f1c5dd31916990d94181e07bc3afb32.dll +0 -0
  1530. scipy.libs/scipy_openblas-f3ac85b1f412f7e86514c923dc4058d1.dll +0 -0
@@ -0,0 +1,1606 @@
1
+ """shgo: The simplicial homology global optimisation algorithm."""
2
+ from collections import namedtuple
3
+ import time
4
+ import logging
5
+ import warnings
6
+ import sys
7
+
8
+ import numpy as np
9
+
10
+ from scipy import spatial
11
+ from scipy.optimize import OptimizeResult, minimize, Bounds
12
+ from scipy.optimize._optimize import MemoizeJac
13
+ from scipy.optimize._constraints import new_bounds_to_old
14
+ from scipy.optimize._minimize import standardize_constraints
15
+ from scipy._lib._util import _FunctionWrapper
16
+
17
+ from scipy.optimize._shgo_lib._complex import Complex
18
+
19
+ __all__ = ['shgo']
20
+
21
+
22
+ def shgo(
23
+ func, bounds, args=(), constraints=None, n=100, iters=1, callback=None,
24
+ minimizer_kwargs=None, options=None, sampling_method='simplicial', *,
25
+ workers=1
26
+ ):
27
+ """
28
+ Finds the global minimum of a function using SHG optimization.
29
+
30
+ SHGO stands for "simplicial homology global optimization".
31
+
32
+ Parameters
33
+ ----------
34
+ func : callable
35
+ The objective function to be minimized. Must be in the form
36
+ ``f(x, *args)``, where ``x`` is the argument in the form of a 1-D array
37
+ and ``args`` is a tuple of any additional fixed parameters needed to
38
+ completely specify the function.
39
+ bounds : sequence or `Bounds`
40
+ Bounds for variables. There are two ways to specify the bounds:
41
+
42
+ 1. Instance of `Bounds` class.
43
+ 2. Sequence of ``(min, max)`` pairs for each element in `x`.
44
+
45
+ args : tuple, optional
46
+ Any additional fixed parameters needed to completely specify the
47
+ objective function.
48
+ constraints : {Constraint, dict} or List of {Constraint, dict}, optional
49
+ Constraints definition. Only for COBYLA, COBYQA, SLSQP and trust-constr.
50
+ See the tutorial [5]_ for further details on specifying constraints.
51
+
52
+ .. note::
53
+
54
+ Only COBYLA, COBYQA, SLSQP, and trust-constr local minimize methods
55
+ currently support constraint arguments. If the ``constraints``
56
+ sequence used in the local optimization problem is not defined in
57
+ ``minimizer_kwargs`` and a constrained method is used then the
58
+ global ``constraints`` will be used.
59
+ (Defining a ``constraints`` sequence in ``minimizer_kwargs``
60
+ means that ``constraints`` will not be added so if equality
61
+ constraints and so forth need to be added then the inequality
62
+ functions in ``constraints`` need to be added to
63
+ ``minimizer_kwargs`` too).
64
+ COBYLA only supports inequality constraints.
65
+
66
+ .. versionchanged:: 1.11.0
67
+
68
+ ``constraints`` accepts `NonlinearConstraint`, `LinearConstraint`.
69
+
70
+ n : int, optional
71
+ Number of sampling points used in the construction of the simplicial
72
+ complex. For the default ``simplicial`` sampling method 2**dim + 1
73
+ sampling points are generated instead of the default ``n=100``. For all
74
+ other specified values `n` sampling points are generated. For
75
+ ``sobol``, ``halton`` and other arbitrary `sampling_methods` ``n=100`` or
76
+ another specified number of sampling points are generated.
77
+ iters : int, optional
78
+ Number of iterations used in the construction of the simplicial
79
+ complex. Default is 1.
80
+ callback : callable, optional
81
+ Called after each iteration, as ``callback(xk)``, where ``xk`` is the
82
+ current parameter vector.
83
+ minimizer_kwargs : dict, optional
84
+ Extra keyword arguments to be passed to the minimizer
85
+ ``scipy.optimize.minimize``. Some important options could be:
86
+
87
+ method : str
88
+ The minimization method. If not given, chosen to be one of
89
+ BFGS, L-BFGS-B, SLSQP, depending on whether or not the
90
+ problem has constraints or bounds.
91
+ args : tuple
92
+ Extra arguments passed to the objective function (``func``) and
93
+ its derivatives (Jacobian, Hessian).
94
+ options : dict, optional
95
+ Note that by default the tolerance is specified as
96
+ ``{ftol: 1e-12}``
97
+
98
+ options : dict, optional
99
+ A dictionary of solver options. Many of the options specified for the
100
+ global routine are also passed to the ``scipy.optimize.minimize``
101
+ routine. The options that are also passed to the local routine are
102
+ marked with "(L)".
103
+
104
+ Stopping criteria, the algorithm will terminate if any of the specified
105
+ criteria are met. However, the default algorithm does not require any
106
+ to be specified:
107
+
108
+ maxfev : int (L)
109
+ Maximum number of function evaluations in the feasible domain.
110
+ (Note only methods that support this option will terminate
111
+ the routine at precisely exact specified value. Otherwise the
112
+ criterion will only terminate during a global iteration)
113
+ f_min : float
114
+ Specify the minimum objective function value, if it is known.
115
+ f_tol : float
116
+ Precision goal for the value of f in the stopping
117
+ criterion. Note that the global routine will also
118
+ terminate if a sampling point in the global routine is
119
+ within this tolerance.
120
+ maxiter : int
121
+ Maximum number of iterations to perform.
122
+ maxev : int
123
+ Maximum number of sampling evaluations to perform (includes
124
+ searching in infeasible points).
125
+ maxtime : float
126
+ Maximum processing runtime allowed
127
+ minhgrd : int
128
+ Minimum homology group rank differential. The homology group of the
129
+ objective function is calculated (approximately) during every
130
+ iteration. The rank of this group has a one-to-one correspondence
131
+ with the number of locally convex subdomains in the objective
132
+ function (after adequate sampling points each of these subdomains
133
+ contain a unique global minimum). If the difference in the hgr is 0
134
+ between iterations for ``maxhgrd`` specified iterations the
135
+ algorithm will terminate.
136
+
137
+ Objective function knowledge:
138
+
139
+ symmetry : list or bool
140
+ Specify if the objective function contains symmetric variables.
141
+ The search space (and therefore performance) is decreased by up to
142
+ O(n!) times in the fully symmetric case. If `True` is specified
143
+ then all variables will be set symmetric to the first variable.
144
+ Default
145
+ is set to False.
146
+
147
+ E.g. f(x) = (x_1 + x_2 + x_3) + (x_4)**2 + (x_5)**2 + (x_6)**2
148
+
149
+ In this equation x_2 and x_3 are symmetric to x_1, while x_5 and
150
+ x_6 are symmetric to x_4, this can be specified to the solver as::
151
+
152
+ symmetry = [0, # Variable 1
153
+ 0, # symmetric to variable 1
154
+ 0, # symmetric to variable 1
155
+ 3, # Variable 4
156
+ 3, # symmetric to variable 4
157
+ 3, # symmetric to variable 4
158
+ ]
159
+
160
+ jac : bool or callable, optional
161
+ Jacobian (gradient) of objective function. Only for CG, BFGS,
162
+ Newton-CG, L-BFGS-B, TNC, SLSQP, dogleg, trust-ncg. If ``jac`` is a
163
+ boolean and is True, ``fun`` is assumed to return the gradient
164
+ along with the objective function. If False, the gradient will be
165
+ estimated numerically. ``jac`` can also be a callable returning the
166
+ gradient of the objective. In this case, it must accept the same
167
+ arguments as ``fun``. (Passed to `scipy.optimize.minimize`
168
+ automatically)
169
+
170
+ hess, hessp : callable, optional
171
+ Hessian (matrix of second-order derivatives) of objective function
172
+ or Hessian of objective function times an arbitrary vector p.
173
+ Only for Newton-CG, dogleg, trust-ncg. Only one of ``hessp`` or
174
+ ``hess`` needs to be given. If ``hess`` is provided, then
175
+ ``hessp`` will be ignored. If neither ``hess`` nor ``hessp`` is
176
+ provided, then the Hessian product will be approximated using
177
+ finite differences on ``jac``. ``hessp`` must compute the Hessian
178
+ times an arbitrary vector. (Passed to `scipy.optimize.minimize`
179
+ automatically)
180
+
181
+ Algorithm settings:
182
+
183
+ minimize_every_iter : bool
184
+ If True then promising global sampling points will be passed to a
185
+ local minimization routine every iteration. If True then only the
186
+ final minimizer pool will be run. Defaults to True.
187
+
188
+ local_iter : int
189
+ Only evaluate a few of the best minimizer pool candidates every
190
+ iteration. If False all potential points are passed to the local
191
+ minimization routine.
192
+
193
+ infty_constraints : bool
194
+ If True then any sampling points generated which are outside will
195
+ the feasible domain will be saved and given an objective function
196
+ value of ``inf``. If False then these points will be discarded.
197
+ Using this functionality could lead to higher performance with
198
+ respect to function evaluations before the global minimum is found,
199
+ specifying False will use less memory at the cost of a slight
200
+ decrease in performance. Defaults to True.
201
+
202
+ Feedback:
203
+
204
+ disp : bool (L)
205
+ Set to True to print convergence messages.
206
+
207
+ sampling_method : str or function, optional
208
+ Current built in sampling method options are ``halton``, ``sobol`` and
209
+ ``simplicial``. The default ``simplicial`` provides
210
+ the theoretical guarantee of convergence to the global minimum in
211
+ finite time. ``halton`` and ``sobol`` method are faster in terms of
212
+ sampling point generation at the cost of the loss of
213
+ guaranteed convergence. It is more appropriate for most "easier"
214
+ problems where the convergence is relatively fast.
215
+ User defined sampling functions must accept two arguments of ``n``
216
+ sampling points of dimension ``dim`` per call and output an array of
217
+ sampling points with shape `n x dim`.
218
+
219
+ workers : int or map-like callable, optional
220
+ Sample and run the local serial minimizations in parallel.
221
+ Supply -1 to use all available CPU cores, or an int to use
222
+ that many Processes (uses `multiprocessing.Pool <multiprocessing>`).
223
+
224
+ Alternatively supply a map-like callable, such as
225
+ `multiprocessing.Pool.map` for parallel evaluation.
226
+ This evaluation is carried out as ``workers(func, iterable)``.
227
+ Requires that `func` be pickleable.
228
+
229
+ .. versionadded:: 1.11.0
230
+
231
+ Returns
232
+ -------
233
+ res : OptimizeResult
234
+ The optimization result represented as a `OptimizeResult` object.
235
+ Important attributes are:
236
+ ``x`` the solution array corresponding to the global minimum,
237
+ ``fun`` the function output at the global solution,
238
+ ``xl`` an ordered list of local minima solutions,
239
+ ``funl`` the function output at the corresponding local solutions,
240
+ ``success`` a Boolean flag indicating if the optimizer exited
241
+ successfully,
242
+ ``message`` which describes the cause of the termination,
243
+ ``nfev`` the total number of objective function evaluations including
244
+ the sampling calls,
245
+ ``nlfev`` the total number of objective function evaluations
246
+ culminating from all local search optimizations,
247
+ ``nit`` number of iterations performed by the global routine.
248
+
249
+ Notes
250
+ -----
251
+ Global optimization using simplicial homology global optimization [1]_.
252
+ Appropriate for solving general purpose NLP and blackbox optimization
253
+ problems to global optimality (low-dimensional problems).
254
+
255
+ In general, the optimization problems are of the form::
256
+
257
+ minimize f(x) subject to
258
+
259
+ g_i(x) >= 0, i = 1,...,m
260
+ h_j(x) = 0, j = 1,...,p
261
+
262
+ where x is a vector of one or more variables. ``f(x)`` is the objective
263
+ function ``R^n -> R``, ``g_i(x)`` are the inequality constraints, and
264
+ ``h_j(x)`` are the equality constraints.
265
+
266
+ Optionally, the lower and upper bounds for each element in x can also be
267
+ specified using the `bounds` argument.
268
+
269
+ While most of the theoretical advantages of SHGO are only proven for when
270
+ ``f(x)`` is a Lipschitz smooth function, the algorithm is also proven to
271
+ converge to the global optimum for the more general case where ``f(x)`` is
272
+ non-continuous, non-convex and non-smooth, if the default sampling method
273
+ is used [1]_.
274
+
275
+ The local search method may be specified using the ``minimizer_kwargs``
276
+ parameter which is passed on to ``scipy.optimize.minimize``. By default,
277
+ the ``SLSQP`` method is used. In general, it is recommended to use the
278
+ ``SLSQP``, ``COBYLA``, or ``COBYQA`` local minimization if inequality
279
+ constraints are defined for the problem since the other methods do not use
280
+ constraints.
281
+
282
+ The ``halton`` and ``sobol`` method points are generated using
283
+ `scipy.stats.qmc`. Any other QMC method could be used.
284
+
285
+ References
286
+ ----------
287
+ .. [1] Endres, SC, Sandrock, C, Focke, WW (2018) "A simplicial homology
288
+ algorithm for lipschitz optimisation", Journal of Global
289
+ Optimization.
290
+ .. [2] Joe, SW and Kuo, FY (2008) "Constructing Sobol' sequences with
291
+ better two-dimensional projections", SIAM J. Sci. Comput. 30,
292
+ 2635-2654.
293
+ .. [3] Hock, W and Schittkowski, K (1981) "Test examples for nonlinear
294
+ programming codes", Lecture Notes in Economics and Mathematical
295
+ Systems, 187. Springer-Verlag, New York.
296
+ http://www.ai7.uni-bayreuth.de/test_problem_coll.pdf
297
+ .. [4] Wales, DJ (2015) "Perspective: Insight into reaction coordinates and
298
+ dynamics from the potential energy landscape",
299
+ Journal of Chemical Physics, 142(13), 2015.
300
+ .. [5] https://docs.scipy.org/doc/scipy/tutorial/optimize.html#constrained-minimization-of-multivariate-scalar-functions-minimize
301
+
302
+ Examples
303
+ --------
304
+ First consider the problem of minimizing the Rosenbrock function, `rosen`:
305
+
306
+ >>> from scipy.optimize import rosen, shgo
307
+ >>> bounds = [(0,2), (0, 2), (0, 2), (0, 2), (0, 2)]
308
+ >>> result = shgo(rosen, bounds)
309
+ >>> result.x, result.fun
310
+ (array([1., 1., 1., 1., 1.]), 2.920392374190081e-18)
311
+
312
+ Note that bounds determine the dimensionality of the objective
313
+ function and is therefore a required input, however you can specify
314
+ empty bounds using ``None`` or objects like ``np.inf`` which will be
315
+ converted to large float numbers.
316
+
317
+ >>> bounds = [(None, None), ]*4
318
+ >>> result = shgo(rosen, bounds)
319
+ >>> result.x
320
+ array([0.99999851, 0.99999704, 0.99999411, 0.9999882 ])
321
+
322
+ Next, we consider the Eggholder function, a problem with several local
323
+ minima and one global minimum. We will demonstrate the use of arguments and
324
+ the capabilities of `shgo`.
325
+ (https://en.wikipedia.org/wiki/Test_functions_for_optimization)
326
+
327
+ >>> import numpy as np
328
+ >>> def eggholder(x):
329
+ ... return (-(x[1] + 47.0)
330
+ ... * np.sin(np.sqrt(abs(x[0]/2.0 + (x[1] + 47.0))))
331
+ ... - x[0] * np.sin(np.sqrt(abs(x[0] - (x[1] + 47.0))))
332
+ ... )
333
+ ...
334
+ >>> bounds = [(-512, 512), (-512, 512)]
335
+
336
+ `shgo` has built-in low discrepancy sampling sequences. First, we will
337
+ input 64 initial sampling points of the *Sobol'* sequence:
338
+
339
+ >>> result = shgo(eggholder, bounds, n=64, sampling_method='sobol')
340
+ >>> result.x, result.fun
341
+ (array([512. , 404.23180824]), -959.6406627208397)
342
+
343
+ `shgo` also has a return for any other local minima that was found, these
344
+ can be called using:
345
+
346
+ >>> result.xl
347
+ array([[ 512. , 404.23180824],
348
+ [ 283.0759062 , -487.12565635],
349
+ [-294.66820039, -462.01964031],
350
+ [-105.87688911, 423.15323845],
351
+ [-242.97926 , 274.38030925],
352
+ [-506.25823477, 6.3131022 ],
353
+ [-408.71980731, -156.10116949],
354
+ [ 150.23207937, 301.31376595],
355
+ [ 91.00920901, -391.283763 ],
356
+ [ 202.89662724, -269.38043241],
357
+ [ 361.66623976, -106.96493868],
358
+ [-219.40612786, -244.06020508]])
359
+
360
+ >>> result.funl
361
+ array([-959.64066272, -718.16745962, -704.80659592, -565.99778097,
362
+ -559.78685655, -557.36868733, -507.87385942, -493.9605115 ,
363
+ -426.48799655, -421.15571437, -419.31194957, -410.98477763])
364
+
365
+ These results are useful in applications where there are many global minima
366
+ and the values of other global minima are desired or where the local minima
367
+ can provide insight into the system (for example morphologies
368
+ in physical chemistry [4]_).
369
+
370
+ If we want to find a larger number of local minima, we can increase the
371
+ number of sampling points or the number of iterations. We'll increase the
372
+ number of sampling points to 64 and the number of iterations from the
373
+ default of 1 to 3. Using ``simplicial`` this would have given us
374
+ 64 x 3 = 192 initial sampling points.
375
+
376
+ >>> result_2 = shgo(eggholder,
377
+ ... bounds, n=64, iters=3, sampling_method='sobol')
378
+ >>> len(result.xl), len(result_2.xl)
379
+ (12, 23)
380
+
381
+ Note the difference between, e.g., ``n=192, iters=1`` and ``n=64,
382
+ iters=3``.
383
+ In the first case the promising points contained in the minimiser pool
384
+ are processed only once. In the latter case it is processed every 64
385
+ sampling points for a total of 3 times.
386
+
387
+ To demonstrate solving problems with non-linear constraints consider the
388
+ following example from Hock and Schittkowski problem 73 (cattle-feed)
389
+ [3]_::
390
+
391
+ minimize: f = 24.55 * x_1 + 26.75 * x_2 + 39 * x_3 + 40.50 * x_4
392
+
393
+ subject to: 2.3 * x_1 + 5.6 * x_2 + 11.1 * x_3 + 1.3 * x_4 - 5 >= 0,
394
+
395
+ 12 * x_1 + 11.9 * x_2 + 41.8 * x_3 + 52.1 * x_4 - 21
396
+ -1.645 * sqrt(0.28 * x_1**2 + 0.19 * x_2**2 +
397
+ 20.5 * x_3**2 + 0.62 * x_4**2) >= 0,
398
+
399
+ x_1 + x_2 + x_3 + x_4 - 1 == 0,
400
+
401
+ 1 >= x_i >= 0 for all i
402
+
403
+ The approximate answer given in [3]_ is::
404
+
405
+ f([0.6355216, -0.12e-11, 0.3127019, 0.05177655]) = 29.894378
406
+
407
+ >>> def f(x): # (cattle-feed)
408
+ ... return 24.55*x[0] + 26.75*x[1] + 39*x[2] + 40.50*x[3]
409
+ ...
410
+ >>> def g1(x):
411
+ ... return 2.3*x[0] + 5.6*x[1] + 11.1*x[2] + 1.3*x[3] - 5 # >=0
412
+ ...
413
+ >>> def g2(x):
414
+ ... return (12*x[0] + 11.9*x[1] +41.8*x[2] + 52.1*x[3] - 21
415
+ ... - 1.645 * np.sqrt(0.28*x[0]**2 + 0.19*x[1]**2
416
+ ... + 20.5*x[2]**2 + 0.62*x[3]**2)
417
+ ... ) # >=0
418
+ ...
419
+ >>> def h1(x):
420
+ ... return x[0] + x[1] + x[2] + x[3] - 1 # == 0
421
+ ...
422
+ >>> cons = ({'type': 'ineq', 'fun': g1},
423
+ ... {'type': 'ineq', 'fun': g2},
424
+ ... {'type': 'eq', 'fun': h1})
425
+ >>> bounds = [(0, 1.0),]*4
426
+ >>> res = shgo(f, bounds, n=150, constraints=cons)
427
+ >>> res
428
+ message: Optimization terminated successfully.
429
+ success: True
430
+ fun: 29.894378159142136
431
+ funl: [ 2.989e+01]
432
+ x: [ 6.355e-01 1.137e-13 3.127e-01 5.178e-02] # may vary
433
+ xl: [[ 6.355e-01 1.137e-13 3.127e-01 5.178e-02]] # may vary
434
+ nit: 1
435
+ nfev: 142 # may vary
436
+ nlfev: 35 # may vary
437
+ nljev: 5
438
+ nlhev: 0
439
+
440
+ >>> g1(res.x), g2(res.x), h1(res.x)
441
+ (-5.062616992290714e-14, -2.9594104944408173e-12, 0.0)
442
+
443
+ """
444
+ # if necessary, convert bounds class to old bounds
445
+ if isinstance(bounds, Bounds):
446
+ bounds = new_bounds_to_old(bounds.lb, bounds.ub, len(bounds.lb))
447
+
448
+ # Initiate SHGO class
449
+ # use in context manager to make sure that any parallelization
450
+ # resources are freed.
451
+ with SHGO(func, bounds, args=args, constraints=constraints, n=n,
452
+ iters=iters, callback=callback,
453
+ minimizer_kwargs=minimizer_kwargs,
454
+ options=options, sampling_method=sampling_method,
455
+ workers=workers) as shc:
456
+ # Run the algorithm, process results and test success
457
+ shc.iterate_all()
458
+
459
+ if not shc.break_routine:
460
+ if shc.disp:
461
+ logging.info("Successfully completed construction of complex.")
462
+
463
+ # Test post iterations success
464
+ if len(shc.LMC.xl_maps) == 0:
465
+ # If sampling failed to find pool, return lowest sampled point
466
+ # with a warning
467
+ shc.find_lowest_vertex()
468
+ shc.break_routine = True
469
+ shc.fail_routine(mes="Failed to find a feasible minimizer point. "
470
+ f"Lowest sampling point = {shc.f_lowest}")
471
+ shc.res.fun = shc.f_lowest
472
+ shc.res.x = shc.x_lowest
473
+ shc.res.nfev = shc.fn
474
+ shc.res.tnev = shc.n_sampled
475
+ else:
476
+ # Test that the optimal solutions do not violate any constraints
477
+ pass # TODO
478
+
479
+ # Confirm the routine ran successfully
480
+ if not shc.break_routine:
481
+ shc.res.message = 'Optimization terminated successfully.'
482
+ shc.res.success = True
483
+
484
+ # Return the final results
485
+ return shc.res
486
+
487
+
488
+ class SHGO:
489
+ def __init__(self, func, bounds, args=(), constraints=None, n=None,
490
+ iters=None, callback=None, minimizer_kwargs=None,
491
+ options=None, sampling_method='simplicial', workers=1):
492
+ from scipy.stats import qmc
493
+ # Input checks
494
+ methods = ['halton', 'sobol', 'simplicial']
495
+ if isinstance(sampling_method, str) and sampling_method not in methods:
496
+ raise ValueError(("Unknown sampling_method specified."
497
+ " Valid methods: {}").format(', '.join(methods)))
498
+
499
+ if options is not None and options.get('jac', None) is True:
500
+ if minimizer_kwargs is None:
501
+ minimizer_kwargs = {}
502
+ minimizer_kwargs['jac'] = True
503
+ options.pop('jac')
504
+
505
+ # Split obj func if given with Jac
506
+ try:
507
+ if ((minimizer_kwargs['jac'] is True) and
508
+ (not callable(minimizer_kwargs['jac']))):
509
+ self.func = MemoizeJac(func)
510
+ jac = self.func.derivative
511
+ minimizer_kwargs['jac'] = jac
512
+ func = self.func # .fun
513
+ else:
514
+ self.func = func # Normal definition of objective function
515
+ except (TypeError, KeyError):
516
+ self.func = func # Normal definition of objective function
517
+
518
+ # Initiate class
519
+ self.func = _FunctionWrapper(func, args)
520
+ self.bounds = bounds
521
+ self.args = args
522
+ self.callback = callback
523
+
524
+ # Bounds
525
+ abound = np.array(bounds, float)
526
+ self.dim = np.shape(abound)[0] # Dimensionality of problem
527
+
528
+ # Set none finite values to large floats
529
+ infind = ~np.isfinite(abound)
530
+ abound[infind[:, 0], 0] = -1e50
531
+ abound[infind[:, 1], 1] = 1e50
532
+
533
+ # Check if bounds are correctly specified
534
+ bnderr = abound[:, 0] > abound[:, 1]
535
+ if bnderr.any():
536
+ raise ValueError("Error: lb > ub in bounds "
537
+ f"{', '.join(str(b) for b in bnderr)}.")
538
+
539
+ self.bounds = abound
540
+
541
+ # Constraints
542
+ # Process constraint dict sequence:
543
+ self.constraints = constraints
544
+ if constraints is not None:
545
+ self.min_cons = constraints
546
+ self.g_cons = []
547
+ self.g_args = []
548
+
549
+ # shgo internals deals with old-style constraints
550
+ # self.constraints is used to create Complex, so need
551
+ # to be stored internally in old-style.
552
+ # `minimize` takes care of normalising these constraints
553
+ # for slsqp/cobyla/cobyqa/trust-constr.
554
+ self.constraints = standardize_constraints(
555
+ constraints,
556
+ np.empty(self.dim, float),
557
+ 'old'
558
+ )
559
+ for cons in self.constraints:
560
+ if cons['type'] in ('ineq'):
561
+ self.g_cons.append(cons['fun'])
562
+ try:
563
+ self.g_args.append(cons['args'])
564
+ except KeyError:
565
+ self.g_args.append(())
566
+ self.g_cons = tuple(self.g_cons)
567
+ self.g_args = tuple(self.g_args)
568
+ else:
569
+ self.g_cons = None
570
+ self.g_args = None
571
+
572
+ # Define local minimization keyword arguments
573
+ # Start with defaults
574
+ self.minimizer_kwargs = {'method': 'SLSQP',
575
+ 'bounds': self.bounds,
576
+ 'options': {},
577
+ 'callback': self.callback
578
+ }
579
+ if minimizer_kwargs is not None:
580
+ # Overwrite with supplied values
581
+ self.minimizer_kwargs.update(minimizer_kwargs)
582
+
583
+ else:
584
+ self.minimizer_kwargs['options'] = {'ftol': 1e-12}
585
+
586
+ if (
587
+ self.minimizer_kwargs['method'].lower() in ('slsqp', 'cobyla',
588
+ 'cobyqa',
589
+ 'trust-constr')
590
+ and (
591
+ minimizer_kwargs is not None and
592
+ 'constraints' not in minimizer_kwargs and
593
+ constraints is not None
594
+ ) or
595
+ (self.g_cons is not None)
596
+ ):
597
+ self.minimizer_kwargs['constraints'] = self.min_cons
598
+
599
+ # Process options dict
600
+ if options is not None:
601
+ self.init_options(options)
602
+ else: # Default settings:
603
+ self.f_min_true = None
604
+ self.minimize_every_iter = True
605
+
606
+ # Algorithm limits
607
+ self.maxiter = None
608
+ self.maxfev = None
609
+ self.maxev = None
610
+ self.maxtime = None
611
+ self.f_min_true = None
612
+ self.minhgrd = None
613
+
614
+ # Objective function knowledge
615
+ self.symmetry = None
616
+
617
+ # Algorithm functionality
618
+ self.infty_cons_sampl = True
619
+ self.local_iter = False
620
+
621
+ # Feedback
622
+ self.disp = False
623
+
624
+ # Remove unknown arguments in self.minimizer_kwargs
625
+ # Start with arguments all the solvers have in common
626
+ self.min_solver_args = ['fun', 'x0', 'args',
627
+ 'callback', 'options', 'method']
628
+ # then add the ones unique to specific solvers
629
+ solver_args = {
630
+ '_custom': ['jac', 'hess', 'hessp', 'bounds', 'constraints'],
631
+ 'nelder-mead': [],
632
+ 'powell': [],
633
+ 'cg': ['jac'],
634
+ 'bfgs': ['jac'],
635
+ 'newton-cg': ['jac', 'hess', 'hessp'],
636
+ 'l-bfgs-b': ['jac', 'bounds'],
637
+ 'tnc': ['jac', 'bounds'],
638
+ 'cobyla': ['constraints', 'catol'],
639
+ 'cobyqa': ['bounds', 'constraints', 'feasibility_tol'],
640
+ 'slsqp': ['jac', 'bounds', 'constraints'],
641
+ 'dogleg': ['jac', 'hess'],
642
+ 'trust-ncg': ['jac', 'hess', 'hessp'],
643
+ 'trust-krylov': ['jac', 'hess', 'hessp'],
644
+ 'trust-exact': ['jac', 'hess'],
645
+ 'trust-constr': ['jac', 'hess', 'hessp', 'constraints'],
646
+ }
647
+ method = self.minimizer_kwargs['method']
648
+ self.min_solver_args += solver_args[method.lower()]
649
+
650
+ # Only retain the known arguments
651
+ def _restrict_to_keys(dictionary, goodkeys):
652
+ """Remove keys from dictionary if not in goodkeys - inplace"""
653
+ existingkeys = set(dictionary)
654
+ for key in existingkeys - set(goodkeys):
655
+ dictionary.pop(key, None)
656
+
657
+ _restrict_to_keys(self.minimizer_kwargs, self.min_solver_args)
658
+ _restrict_to_keys(self.minimizer_kwargs['options'],
659
+ self.min_solver_args + ['ftol'])
660
+
661
+ # Algorithm controls
662
+ # Global controls
663
+ self.stop_global = False # Used in the stopping_criteria method
664
+ self.break_routine = False # Break the algorithm globally
665
+ self.iters = iters # Iterations to be ran
666
+ self.iters_done = 0 # Iterations completed
667
+ self.n = n # Sampling points per iteration
668
+ self.nc = 0 # n # Sampling points to sample in current iteration
669
+ self.n_prc = 0 # Processed points (used to track Delaunay iters)
670
+ self.n_sampled = 0 # To track no. of sampling points already generated
671
+ self.fn = 0 # Number of feasible sampling points evaluations performed
672
+ self.hgr = 0 # Homology group rank
673
+ # Initially attempt to build the triangulation incrementally:
674
+ self.qhull_incremental = True
675
+
676
+ # Default settings if no sampling criteria.
677
+ if (self.n is None) and (self.iters is None) \
678
+ and (sampling_method == 'simplicial'):
679
+ self.n = 2 ** self.dim + 1
680
+ self.nc = 0 # self.n
681
+ if self.iters is None:
682
+ self.iters = 1
683
+ if (self.n is None) and not (sampling_method == 'simplicial'):
684
+ self.n = self.n = 100
685
+ self.nc = 0 # self.n
686
+ if (self.n == 100) and (sampling_method == 'simplicial'):
687
+ self.n = 2 ** self.dim + 1
688
+
689
+ if not ((self.maxiter is None) and (self.maxfev is None) and (
690
+ self.maxev is None)
691
+ and (self.minhgrd is None) and (self.f_min_true is None)):
692
+ self.iters = None
693
+
694
+ # Set complex construction mode based on a provided stopping criteria:
695
+ # Initialise sampling Complex and function cache
696
+ # Note that sfield_args=() since args are already wrapped in self.func
697
+ # using the_FunctionWrapper class.
698
+ self.HC = Complex(dim=self.dim, domain=self.bounds,
699
+ sfield=self.func, sfield_args=(),
700
+ symmetry=self.symmetry,
701
+ constraints=self.constraints,
702
+ workers=workers)
703
+
704
+ # Choose complex constructor
705
+ if sampling_method == 'simplicial':
706
+ self.iterate_complex = self.iterate_hypercube
707
+ self.sampling_method = sampling_method
708
+
709
+ elif sampling_method in ['halton', 'sobol'] or \
710
+ not isinstance(sampling_method, str):
711
+ self.iterate_complex = self.iterate_delaunay
712
+ # Sampling method used
713
+ if sampling_method in ['halton', 'sobol']:
714
+ if sampling_method == 'sobol':
715
+ self.n = int(2 ** np.ceil(np.log2(self.n)))
716
+ # self.n #TODO: Should always be self.n, this is
717
+ # unacceptable for shgo, check that nfev behaves as
718
+ # expected.
719
+ self.nc = 0
720
+ self.sampling_method = 'sobol'
721
+ self.qmc_engine = qmc.Sobol(d=self.dim, scramble=False,
722
+ seed=0)
723
+ else:
724
+ self.sampling_method = 'halton'
725
+ self.qmc_engine = qmc.Halton(d=self.dim, scramble=True,
726
+ seed=0)
727
+
728
+ def sampling_method(n, d):
729
+ return self.qmc_engine.random(n)
730
+
731
+ else:
732
+ # A user defined sampling method:
733
+ self.sampling_method = 'custom'
734
+
735
+ self.sampling = self.sampling_custom
736
+ self.sampling_function = sampling_method # F(n, d)
737
+
738
+ # Local controls
739
+ self.stop_l_iter = False # Local minimisation iterations
740
+ self.stop_complex_iter = False # Sampling iterations
741
+
742
+ # Initiate storage objects used in algorithm classes
743
+ self.minimizer_pool = []
744
+
745
+ # Cache of local minimizers mapped
746
+ self.LMC = LMapCache()
747
+
748
+ # Initialize return object
749
+ self.res = OptimizeResult() # scipy.optimize.OptimizeResult object
750
+ self.res.nfev = 0 # Includes each sampling point as func evaluation
751
+ self.res.nlfev = 0 # Local function evals for all minimisers
752
+ self.res.nljev = 0 # Local Jacobian evals for all minimisers
753
+ self.res.nlhev = 0 # Local Hessian evals for all minimisers
754
+
755
+ # Initiation aids
756
+ def init_options(self, options):
757
+ """
758
+ Initiates the options.
759
+
760
+ Can also be useful to change parameters after class initiation.
761
+
762
+ Parameters
763
+ ----------
764
+ options : dict
765
+
766
+ Returns
767
+ -------
768
+ None
769
+
770
+ """
771
+ # Update 'options' dict passed to optimize.minimize
772
+ # Do this first so we don't mutate `options` below.
773
+ self.minimizer_kwargs['options'].update(options)
774
+
775
+ # Ensure that 'jac', 'hess', and 'hessp' are passed directly to
776
+ # `minimize` as keywords, not as part of its 'options' dictionary.
777
+ for opt in ['jac', 'hess', 'hessp']:
778
+ if opt in self.minimizer_kwargs['options']:
779
+ self.minimizer_kwargs[opt] = (
780
+ self.minimizer_kwargs['options'].pop(opt))
781
+
782
+ # Default settings:
783
+ self.minimize_every_iter = options.get('minimize_every_iter', True)
784
+
785
+ # Algorithm limits
786
+ # Maximum number of iterations to perform.
787
+ self.maxiter = options.get('maxiter', None)
788
+ # Maximum number of function evaluations in the feasible domain
789
+ self.maxfev = options.get('maxfev', None)
790
+ # Maximum number of sampling evaluations (includes searching in
791
+ # infeasible points
792
+ self.maxev = options.get('maxev', None)
793
+ # Maximum processing runtime allowed
794
+ self.init = time.time()
795
+ self.maxtime = options.get('maxtime', None)
796
+ if 'f_min' in options:
797
+ # Specify the minimum objective function value, if it is known.
798
+ self.f_min_true = options['f_min']
799
+ self.f_tol = options.get('f_tol', 1e-4)
800
+ else:
801
+ self.f_min_true = None
802
+
803
+ self.minhgrd = options.get('minhgrd', None)
804
+
805
+ # Objective function knowledge
806
+ self.symmetry = options.get('symmetry', False)
807
+ if self.symmetry:
808
+ self.symmetry = [0, ]*len(self.bounds)
809
+ else:
810
+ self.symmetry = None
811
+ # Algorithm functionality
812
+ # Only evaluate a few of the best candidates
813
+ self.local_iter = options.get('local_iter', False)
814
+ self.infty_cons_sampl = options.get('infty_constraints', True)
815
+
816
+ # Feedback
817
+ self.disp = options.get('disp', False)
818
+
819
+ def __enter__(self):
820
+ return self
821
+
822
+ def __exit__(self, *args):
823
+ return self.HC.V._mapwrapper.__exit__(*args)
824
+
825
+ # Iteration properties
826
+ # Main construction loop:
827
+ def iterate_all(self):
828
+ """
829
+ Construct for `iters` iterations.
830
+
831
+ If uniform sampling is used, every iteration adds 'n' sampling points.
832
+
833
+ Iterations if a stopping criteria (e.g., sampling points or
834
+ processing time) has been met.
835
+
836
+ """
837
+ if self.disp:
838
+ logging.info('Splitting first generation')
839
+
840
+ while not self.stop_global:
841
+ if self.break_routine:
842
+ break
843
+ # Iterate complex, process minimisers
844
+ self.iterate()
845
+ self.stopping_criteria()
846
+
847
+ # Build minimiser pool
848
+ # Final iteration only needed if pools weren't minimised every
849
+ # iteration
850
+ if not self.minimize_every_iter:
851
+ if not self.break_routine:
852
+ self.find_minima()
853
+
854
+ self.res.nit = self.iters_done # + 1
855
+ self.fn = self.HC.V.nfev
856
+
857
+ def find_minima(self):
858
+ """
859
+ Construct the minimizer pool, map the minimizers to local minima
860
+ and sort the results into a global return object.
861
+ """
862
+ if self.disp:
863
+ logging.info('Searching for minimizer pool...')
864
+
865
+ self.minimizers()
866
+
867
+ if len(self.X_min) != 0:
868
+ # Minimize the pool of minimizers with local minimization methods
869
+ # Note that if Options['local_iter'] is an `int` instead of default
870
+ # value False then only that number of candidates will be minimized
871
+ self.minimise_pool(self.local_iter)
872
+ # Sort results and build the global return object
873
+ self.sort_result()
874
+
875
+ # Lowest values used to report in case of failures
876
+ self.f_lowest = self.res.fun
877
+ self.x_lowest = self.res.x
878
+ else:
879
+ self.find_lowest_vertex()
880
+
881
+ if self.disp:
882
+ logging.info(f"Minimiser pool = SHGO.X_min = {self.X_min}")
883
+
884
+ def find_lowest_vertex(self):
885
+ # Find the lowest objective function value on one of
886
+ # the vertices of the simplicial complex
887
+ self.f_lowest = np.inf
888
+ for x in self.HC.V.cache:
889
+ if self.HC.V[x].f < self.f_lowest:
890
+ if self.disp:
891
+ logging.info(f'self.HC.V[x].f = {self.HC.V[x].f}')
892
+ self.f_lowest = self.HC.V[x].f
893
+ self.x_lowest = self.HC.V[x].x_a
894
+ for lmc in self.LMC.cache:
895
+ if self.LMC[lmc].f_min < self.f_lowest:
896
+ self.f_lowest = self.LMC[lmc].f_min
897
+ self.x_lowest = self.LMC[lmc].x_l
898
+
899
+ if self.f_lowest == np.inf: # no feasible point
900
+ self.f_lowest = None
901
+ self.x_lowest = None
902
+
903
+ # Stopping criteria functions:
904
+ def finite_iterations(self):
905
+ mi = min(x for x in [self.iters, self.maxiter] if x is not None)
906
+ if self.disp:
907
+ logging.info(f'Iterations done = {self.iters_done} / {mi}')
908
+ if self.iters is not None:
909
+ if self.iters_done >= (self.iters):
910
+ self.stop_global = True
911
+
912
+ if self.maxiter is not None: # Stop for infeasible sampling
913
+ if self.iters_done >= (self.maxiter):
914
+ self.stop_global = True
915
+ return self.stop_global
916
+
917
+ def finite_fev(self):
918
+ # Finite function evals in the feasible domain
919
+ if self.disp:
920
+ logging.info(f'Function evaluations done = {self.fn} / {self.maxfev}')
921
+ if self.fn >= self.maxfev:
922
+ self.stop_global = True
923
+ return self.stop_global
924
+
925
+ def finite_ev(self):
926
+ # Finite evaluations including infeasible sampling points
927
+ if self.disp:
928
+ logging.info(f'Sampling evaluations done = {self.n_sampled} '
929
+ f'/ {self.maxev}')
930
+ if self.n_sampled >= self.maxev:
931
+ self.stop_global = True
932
+
933
+ def finite_time(self):
934
+ if self.disp:
935
+ logging.info(f'Time elapsed = {time.time() - self.init} '
936
+ f'/ {self.maxtime}')
937
+ if (time.time() - self.init) >= self.maxtime:
938
+ self.stop_global = True
939
+
940
+ def finite_precision(self):
941
+ """
942
+ Stop the algorithm if the final function value is known
943
+
944
+ Specify in options (with ``self.f_min_true = options['f_min']``)
945
+ and the tolerance with ``f_tol = options['f_tol']``
946
+ """
947
+ # If no minimizer has been found use the lowest sampling value
948
+ self.find_lowest_vertex()
949
+ if self.disp:
950
+ logging.info(f'Lowest function evaluation = {self.f_lowest}')
951
+ logging.info(f'Specified minimum = {self.f_min_true}')
952
+ # If no feasible point was return from test
953
+ if self.f_lowest is None:
954
+ return self.stop_global
955
+
956
+ # Function to stop algorithm at specified percentage error:
957
+ if self.f_min_true == 0.0:
958
+ if self.f_lowest <= self.f_tol:
959
+ self.stop_global = True
960
+ else:
961
+ pe = (self.f_lowest - self.f_min_true) / abs(self.f_min_true)
962
+ if self.f_lowest <= self.f_min_true:
963
+ self.stop_global = True
964
+ # 2if (pe - self.f_tol) <= abs(1.0 / abs(self.f_min_true)):
965
+ if abs(pe) >= 2 * self.f_tol:
966
+ warnings.warn(
967
+ f"A much lower value than expected f* = {self.f_min_true} "
968
+ f"was found f_lowest = {self.f_lowest}",
969
+ stacklevel=3
970
+ )
971
+ if pe <= self.f_tol:
972
+ self.stop_global = True
973
+
974
+ return self.stop_global
975
+
976
+ def finite_homology_growth(self):
977
+ """
978
+ Stop the algorithm if homology group rank did not grow in iteration.
979
+ """
980
+ if self.LMC.size == 0:
981
+ return # pass on no reason to stop yet.
982
+ self.hgrd = self.LMC.size - self.hgr
983
+
984
+ self.hgr = self.LMC.size
985
+ if self.hgrd <= self.minhgrd:
986
+ self.stop_global = True
987
+ if self.disp:
988
+ logging.info(f'Current homology growth = {self.hgrd} '
989
+ f' (minimum growth = {self.minhgrd})')
990
+ return self.stop_global
991
+
992
+ def stopping_criteria(self):
993
+ """
994
+ Various stopping criteria ran every iteration
995
+
996
+ Returns
997
+ -------
998
+ stop : bool
999
+ """
1000
+ if self.maxiter is not None:
1001
+ self.finite_iterations()
1002
+ if self.iters is not None:
1003
+ self.finite_iterations()
1004
+ if self.maxfev is not None:
1005
+ self.finite_fev()
1006
+ if self.maxev is not None:
1007
+ self.finite_ev()
1008
+ if self.maxtime is not None:
1009
+ self.finite_time()
1010
+ if self.f_min_true is not None:
1011
+ self.finite_precision()
1012
+ if self.minhgrd is not None:
1013
+ self.finite_homology_growth()
1014
+ return self.stop_global
1015
+
1016
+ def iterate(self):
1017
+ self.iterate_complex()
1018
+
1019
+ # Build minimizer pool
1020
+ if self.minimize_every_iter:
1021
+ if not self.break_routine:
1022
+ self.find_minima() # Process minimizer pool
1023
+
1024
+ # Algorithm updates
1025
+ self.iters_done += 1
1026
+
1027
+ def iterate_hypercube(self):
1028
+ """
1029
+ Iterate a subdivision of the complex
1030
+
1031
+ Note: called with ``self.iterate_complex()`` after class initiation
1032
+ """
1033
+ # Iterate the complex
1034
+ if self.disp:
1035
+ logging.info('Constructing and refining simplicial complex graph '
1036
+ 'structure')
1037
+ if self.n is None:
1038
+ self.HC.refine_all()
1039
+ self.n_sampled = self.HC.V.size() # nevs counted
1040
+ else:
1041
+ self.HC.refine(self.n)
1042
+ self.n_sampled += self.n
1043
+
1044
+ if self.disp:
1045
+ logging.info('Triangulation completed, evaluating all constraints '
1046
+ 'and objective function values.')
1047
+
1048
+ # Re-add minimisers to complex
1049
+ if len(self.LMC.xl_maps) > 0:
1050
+ for xl in self.LMC.cache:
1051
+ v = self.HC.V[xl]
1052
+ v_near = v.star()
1053
+ for v in v.nn:
1054
+ v_near = v_near.union(v.nn)
1055
+ # Reconnect vertices to complex
1056
+ # if self.HC.connect_vertex_non_symm(tuple(self.LMC[xl].x_l),
1057
+ # near=v_near):
1058
+ # continue
1059
+ # else:
1060
+ # If failure to find in v_near, then search all vertices
1061
+ # (very expensive operation:
1062
+ # self.HC.connect_vertex_non_symm(tuple(self.LMC[xl].x_l)
1063
+ # )
1064
+
1065
+ # Evaluate all constraints and functions
1066
+ self.HC.V.process_pools()
1067
+ if self.disp:
1068
+ logging.info('Evaluations completed.')
1069
+
1070
+ # feasible sampling points counted by the triangulation.py routines
1071
+ self.fn = self.HC.V.nfev
1072
+ return
1073
+
1074
+ def iterate_delaunay(self):
1075
+ """
1076
+ Build a complex of Delaunay triangulated points
1077
+
1078
+ Note: called with ``self.iterate_complex()`` after class initiation
1079
+ """
1080
+ self.nc += self.n
1081
+ self.sampled_surface(infty_cons_sampl=self.infty_cons_sampl)
1082
+
1083
+ # Add sampled points to a triangulation, construct self.Tri
1084
+ if self.disp:
1085
+ logging.info(f'self.n = {self.n}')
1086
+ logging.info(f'self.nc = {self.nc}')
1087
+ logging.info('Constructing and refining simplicial complex graph '
1088
+ 'structure from sampling points.')
1089
+
1090
+ if self.dim < 2:
1091
+ self.Ind_sorted = np.argsort(self.C, axis=0)
1092
+ self.Ind_sorted = self.Ind_sorted.flatten()
1093
+ tris = []
1094
+ for ind, ind_s in enumerate(self.Ind_sorted):
1095
+ if ind > 0:
1096
+ tris.append(self.Ind_sorted[ind - 1:ind + 1])
1097
+
1098
+ tris = np.array(tris)
1099
+ # Store 1D triangulation:
1100
+ self.Tri = namedtuple('Tri', ['points', 'simplices'])(self.C, tris)
1101
+ self.points = {}
1102
+ else:
1103
+ if self.C.shape[0] > self.dim + 1: # Ensure a simplex can be built
1104
+ self.delaunay_triangulation(n_prc=self.n_prc)
1105
+ self.n_prc = self.C.shape[0]
1106
+
1107
+ if self.disp:
1108
+ logging.info('Triangulation completed, evaluating all '
1109
+ 'constraints and objective function values.')
1110
+
1111
+ if hasattr(self, 'Tri'):
1112
+ self.HC.vf_to_vv(self.Tri.points, self.Tri.simplices)
1113
+
1114
+ # Process all pools
1115
+ # Evaluate all constraints and functions
1116
+ if self.disp:
1117
+ logging.info('Triangulation completed, evaluating all constraints '
1118
+ 'and objective function values.')
1119
+
1120
+ # Evaluate all constraints and functions
1121
+ self.HC.V.process_pools()
1122
+ if self.disp:
1123
+ logging.info('Evaluations completed.')
1124
+
1125
+ # feasible sampling points counted by the triangulation.py routines
1126
+ self.fn = self.HC.V.nfev
1127
+ self.n_sampled = self.nc # nevs counted in triangulation
1128
+ return
1129
+
1130
+ # Hypercube minimizers
1131
+ def minimizers(self):
1132
+ """
1133
+ Returns the indexes of all minimizers
1134
+ """
1135
+ self.minimizer_pool = []
1136
+ # Note: Can implement parallelization here
1137
+ for x in self.HC.V.cache:
1138
+ in_LMC = False
1139
+ if len(self.LMC.xl_maps) > 0:
1140
+ for xlmi in self.LMC.xl_maps:
1141
+ if np.all(np.array(x) == np.array(xlmi)):
1142
+ in_LMC = True
1143
+ if in_LMC:
1144
+ continue
1145
+
1146
+ if self.HC.V[x].minimiser():
1147
+ if self.disp:
1148
+ logging.info('=' * 60)
1149
+ logging.info(f'v.x = {self.HC.V[x].x_a} is minimizer')
1150
+ logging.info(f'v.f = {self.HC.V[x].f} is minimizer')
1151
+ logging.info('=' * 30)
1152
+
1153
+ if self.HC.V[x] not in self.minimizer_pool:
1154
+ self.minimizer_pool.append(self.HC.V[x])
1155
+
1156
+ if self.disp:
1157
+ logging.info('Neighbors:')
1158
+ logging.info('=' * 30)
1159
+ for vn in self.HC.V[x].nn:
1160
+ logging.info(f'x = {vn.x} || f = {vn.f}')
1161
+
1162
+ logging.info('=' * 60)
1163
+ self.minimizer_pool_F = []
1164
+ self.X_min = []
1165
+ # normalized tuple in the Vertex cache
1166
+ self.X_min_cache = {} # Cache used in hypercube sampling
1167
+
1168
+ for v in self.minimizer_pool:
1169
+ self.X_min.append(v.x_a)
1170
+ self.minimizer_pool_F.append(v.f)
1171
+ self.X_min_cache[tuple(v.x_a)] = v.x
1172
+
1173
+ self.minimizer_pool_F = np.array(self.minimizer_pool_F)
1174
+ self.X_min = np.array(self.X_min)
1175
+
1176
+ # TODO: Only do this if global mode
1177
+ self.sort_min_pool()
1178
+
1179
+ return self.X_min
1180
+
1181
+ # Local minimisation
1182
+ # Minimiser pool processing
1183
+ def minimise_pool(self, force_iter=False):
1184
+ """
1185
+ This processing method can optionally minimise only the best candidate
1186
+ solutions in the minimiser pool
1187
+
1188
+ Parameters
1189
+ ----------
1190
+ force_iter : int
1191
+ Number of starting minimizers to process (can be specified
1192
+ globally or locally)
1193
+
1194
+ """
1195
+ # Find first local minimum
1196
+ # NOTE: Since we always minimize this value regardless it is a waste to
1197
+ # build the topograph first before minimizing
1198
+ lres_f_min = self.minimize(self.X_min[0], ind=self.minimizer_pool[0])
1199
+
1200
+ # Trim minimized point from current minimizer set
1201
+ self.trim_min_pool(0)
1202
+
1203
+ while not self.stop_l_iter:
1204
+ # Global stopping criteria:
1205
+ self.stopping_criteria()
1206
+
1207
+ # Note first iteration is outside loop:
1208
+ if force_iter:
1209
+ force_iter -= 1
1210
+ if force_iter == 0:
1211
+ self.stop_l_iter = True
1212
+ break
1213
+
1214
+ if np.shape(self.X_min)[0] == 0:
1215
+ self.stop_l_iter = True
1216
+ break
1217
+
1218
+ # Construct topograph from current minimizer set
1219
+ # (NOTE: This is a very small topograph using only the minizer pool
1220
+ # , it might be worth using some graph theory tools instead.
1221
+ self.g_topograph(lres_f_min.x, self.X_min)
1222
+
1223
+ # Find local minimum at the miniser with the greatest Euclidean
1224
+ # distance from the current solution
1225
+ ind_xmin_l = self.Z[:, -1]
1226
+ lres_f_min = self.minimize(self.Ss[-1, :], self.minimizer_pool[-1])
1227
+
1228
+ # Trim minimised point from current minimizer set
1229
+ self.trim_min_pool(ind_xmin_l)
1230
+
1231
+ # Reset controls
1232
+ self.stop_l_iter = False
1233
+ return
1234
+
1235
+ def sort_min_pool(self):
1236
+ # Sort to find minimum func value in min_pool
1237
+ self.ind_f_min = np.argsort(self.minimizer_pool_F)
1238
+ self.minimizer_pool = np.array(self.minimizer_pool)[self.ind_f_min]
1239
+ self.minimizer_pool_F = np.array(self.minimizer_pool_F)[
1240
+ self.ind_f_min]
1241
+ return
1242
+
1243
+ def trim_min_pool(self, trim_ind):
1244
+ self.X_min = np.delete(self.X_min, trim_ind, axis=0)
1245
+ self.minimizer_pool_F = np.delete(self.minimizer_pool_F, trim_ind)
1246
+ self.minimizer_pool = np.delete(self.minimizer_pool, trim_ind)
1247
+ return
1248
+
1249
+ def g_topograph(self, x_min, X_min):
1250
+ """
1251
+ Returns the topographical vector stemming from the specified value
1252
+ ``x_min`` for the current feasible set ``X_min`` with True boolean
1253
+ values indicating positive entries and False values indicating
1254
+ negative entries.
1255
+
1256
+ """
1257
+ x_min = np.array([x_min])
1258
+ self.Y = spatial.distance.cdist(x_min, X_min, 'euclidean')
1259
+ # Find sorted indexes of spatial distances:
1260
+ self.Z = np.argsort(self.Y, axis=-1)
1261
+
1262
+ self.Ss = X_min[self.Z][0]
1263
+ self.minimizer_pool = self.minimizer_pool[self.Z]
1264
+ self.minimizer_pool = self.minimizer_pool[0]
1265
+ return self.Ss
1266
+
1267
+ # Local bound functions
1268
+ def construct_lcb_simplicial(self, v_min):
1269
+ """
1270
+ Construct locally (approximately) convex bounds
1271
+
1272
+ Parameters
1273
+ ----------
1274
+ v_min : Vertex object
1275
+ The minimizer vertex
1276
+
1277
+ Returns
1278
+ -------
1279
+ cbounds : list of lists
1280
+ List of size dimension with length-2 list of bounds for each
1281
+ dimension.
1282
+
1283
+ """
1284
+ cbounds = [[x_b_i[0], x_b_i[1]] for x_b_i in self.bounds]
1285
+ # Loop over all bounds
1286
+ for vn in v_min.nn:
1287
+ for i, x_i in enumerate(vn.x_a):
1288
+ # Lower bound
1289
+ if (x_i < v_min.x_a[i]) and (x_i > cbounds[i][0]):
1290
+ cbounds[i][0] = x_i
1291
+
1292
+ # Upper bound
1293
+ if (x_i > v_min.x_a[i]) and (x_i < cbounds[i][1]):
1294
+ cbounds[i][1] = x_i
1295
+
1296
+ if self.disp:
1297
+ logging.info(f'cbounds found for v_min.x_a = {v_min.x_a}')
1298
+ logging.info(f'cbounds = {cbounds}')
1299
+
1300
+ return cbounds
1301
+
1302
+ def construct_lcb_delaunay(self, v_min, ind=None):
1303
+ """
1304
+ Construct locally (approximately) convex bounds
1305
+
1306
+ Parameters
1307
+ ----------
1308
+ v_min : Vertex object
1309
+ The minimizer vertex
1310
+
1311
+ Returns
1312
+ -------
1313
+ cbounds : list of lists
1314
+ List of size dimension with length-2 list of bounds for each
1315
+ dimension.
1316
+ """
1317
+ cbounds = [[x_b_i[0], x_b_i[1]] for x_b_i in self.bounds]
1318
+
1319
+ return cbounds
1320
+
1321
+ # Minimize a starting point locally
1322
+ def minimize(self, x_min, ind=None):
1323
+ """
1324
+ This function is used to calculate the local minima using the specified
1325
+ sampling point as a starting value.
1326
+
1327
+ Parameters
1328
+ ----------
1329
+ x_min : vector of floats
1330
+ Current starting point to minimize.
1331
+
1332
+ Returns
1333
+ -------
1334
+ lres : OptimizeResult
1335
+ The local optimization result represented as a `OptimizeResult`
1336
+ object.
1337
+ """
1338
+ # Use minima maps if vertex was already run
1339
+ if self.disp:
1340
+ logging.info(f'Vertex minimiser maps = {self.LMC.v_maps}')
1341
+
1342
+ if self.LMC[x_min].lres is not None:
1343
+ logging.info(f'Found self.LMC[x_min].lres = '
1344
+ f'{self.LMC[x_min].lres}')
1345
+ return self.LMC[x_min].lres
1346
+
1347
+ if self.callback is not None:
1348
+ logging.info(f'Callback for minimizer starting at {x_min}:')
1349
+
1350
+ if self.disp:
1351
+ logging.info(f'Starting minimization at {x_min}...')
1352
+
1353
+ if self.sampling_method == 'simplicial':
1354
+ x_min_t = tuple(x_min)
1355
+ # Find the normalized tuple in the Vertex cache:
1356
+ x_min_t_norm = self.X_min_cache[tuple(x_min_t)]
1357
+ x_min_t_norm = tuple(x_min_t_norm)
1358
+ g_bounds = self.construct_lcb_simplicial(self.HC.V[x_min_t_norm])
1359
+ if 'bounds' in self.min_solver_args:
1360
+ self.minimizer_kwargs['bounds'] = g_bounds
1361
+ logging.info(self.minimizer_kwargs['bounds'])
1362
+
1363
+ else:
1364
+ g_bounds = self.construct_lcb_delaunay(x_min, ind=ind)
1365
+ if 'bounds' in self.min_solver_args:
1366
+ self.minimizer_kwargs['bounds'] = g_bounds
1367
+ logging.info(self.minimizer_kwargs['bounds'])
1368
+
1369
+ if self.disp and 'bounds' in self.minimizer_kwargs:
1370
+ logging.info('bounds in kwarg:')
1371
+ logging.info(self.minimizer_kwargs['bounds'])
1372
+
1373
+ # Local minimization using scipy.optimize.minimize:
1374
+ lres = minimize(self.func, x_min, **self.minimizer_kwargs)
1375
+
1376
+ if self.disp:
1377
+ logging.info(f'lres = {lres}')
1378
+
1379
+ # Local function evals for all minimizers
1380
+ self.res.nlfev += lres.nfev
1381
+ if 'njev' in lres:
1382
+ self.res.nljev += lres.njev
1383
+ if 'nhev' in lres:
1384
+ self.res.nlhev += lres.nhev
1385
+
1386
+ try: # Needed because of the brain dead 1x1 NumPy arrays
1387
+ lres.fun = lres.fun[0]
1388
+ except (IndexError, TypeError):
1389
+ lres.fun
1390
+
1391
+ # Append minima maps
1392
+ self.LMC[x_min]
1393
+ self.LMC.add_res(x_min, lres, bounds=g_bounds)
1394
+
1395
+ return lres
1396
+
1397
+ # Post local minimization processing
1398
+ def sort_result(self):
1399
+ """
1400
+ Sort results and build the global return object
1401
+ """
1402
+ # Sort results in local minima cache
1403
+ results = self.LMC.sort_cache_result()
1404
+ self.res.xl = results['xl']
1405
+ self.res.funl = results['funl']
1406
+ self.res.x = results['x']
1407
+ self.res.fun = results['fun']
1408
+
1409
+ # Add local func evals to sampling func evals
1410
+ # Count the number of feasible vertices and add to local func evals:
1411
+ self.res.nfev = self.fn + self.res.nlfev
1412
+ return self.res
1413
+
1414
+ # Algorithm controls
1415
+ def fail_routine(self, mes=("Failed to converge")):
1416
+ self.break_routine = True
1417
+ self.res.success = False
1418
+ self.X_min = [None]
1419
+ self.res.message = mes
1420
+
1421
+ def sampled_surface(self, infty_cons_sampl=False):
1422
+ """
1423
+ Sample the function surface.
1424
+
1425
+ There are 2 modes, if ``infty_cons_sampl`` is True then the sampled
1426
+ points that are generated outside the feasible domain will be
1427
+ assigned an ``inf`` value in accordance with SHGO rules.
1428
+ This guarantees convergence and usually requires less objective
1429
+ function evaluations at the computational costs of more Delaunay
1430
+ triangulation points.
1431
+
1432
+ If ``infty_cons_sampl`` is False, then the infeasible points are
1433
+ discarded and only a subspace of the sampled points are used. This
1434
+ comes at the cost of the loss of guaranteed convergence and usually
1435
+ requires more objective function evaluations.
1436
+ """
1437
+ # Generate sampling points
1438
+ if self.disp:
1439
+ logging.info('Generating sampling points')
1440
+ self.sampling(self.nc, self.dim)
1441
+ if len(self.LMC.xl_maps) > 0:
1442
+ self.C = np.vstack((self.C, np.array(self.LMC.xl_maps)))
1443
+ if not infty_cons_sampl:
1444
+ # Find subspace of feasible points
1445
+ if self.g_cons is not None:
1446
+ self.sampling_subspace()
1447
+
1448
+ # Sort remaining samples
1449
+ self.sorted_samples()
1450
+
1451
+ # Find objective function references
1452
+ self.n_sampled = self.nc
1453
+
1454
+ def sampling_custom(self, n, dim):
1455
+ """
1456
+ Generates uniform sampling points in a hypercube and scales the points
1457
+ to the bound limits.
1458
+ """
1459
+ # Generate sampling points.
1460
+ # Generate uniform sample points in [0, 1]^m \subset R^m
1461
+ if self.n_sampled == 0:
1462
+ self.C = self.sampling_function(n, dim)
1463
+ else:
1464
+ self.C = self.sampling_function(n, dim)
1465
+ # Distribute over bounds
1466
+ for i in range(len(self.bounds)):
1467
+ self.C[:, i] = (self.C[:, i] *
1468
+ (self.bounds[i][1] - self.bounds[i][0])
1469
+ + self.bounds[i][0])
1470
+ return self.C
1471
+
1472
+ def sampling_subspace(self):
1473
+ """Find subspace of feasible points from g_func definition"""
1474
+ # Subspace of feasible points.
1475
+ for ind, g in enumerate(self.g_cons):
1476
+ # C.shape = (Z, dim) where Z is the number of sampling points to
1477
+ # evaluate and dim is the dimensionality of the problem.
1478
+ # the constraint function may not be vectorised so have to step
1479
+ # through each sampling point sequentially.
1480
+ feasible = np.array(
1481
+ [np.all(g(x_C, *self.g_args[ind]) >= 0.0) for x_C in self.C],
1482
+ dtype=bool
1483
+ )
1484
+ self.C = self.C[feasible]
1485
+
1486
+ if self.C.size == 0:
1487
+ self.res.message = ('No sampling point found within the '
1488
+ + 'feasible set. Increasing sampling '
1489
+ + 'size.')
1490
+ # sampling correctly for both 1-D and >1-D cases
1491
+ if self.disp:
1492
+ logging.info(self.res.message)
1493
+
1494
+ def sorted_samples(self): # Validated
1495
+ """Find indexes of the sorted sampling points"""
1496
+ self.Ind_sorted = np.argsort(self.C, axis=0)
1497
+ self.Xs = self.C[self.Ind_sorted]
1498
+ return self.Ind_sorted, self.Xs
1499
+
1500
+ def delaunay_triangulation(self, n_prc=0):
1501
+ if hasattr(self, 'Tri') and self.qhull_incremental:
1502
+ # TODO: Uncertain if n_prc needs to add len(self.LMC.xl_maps)
1503
+ # in self.sampled_surface
1504
+ self.Tri.add_points(self.C[n_prc:, :])
1505
+ else:
1506
+ try:
1507
+ self.Tri = spatial.Delaunay(self.C,
1508
+ incremental=self.qhull_incremental,
1509
+ )
1510
+ except spatial.QhullError:
1511
+ if str(sys.exc_info()[1])[:6] == 'QH6239':
1512
+ logging.warning('QH6239 Qhull precision error detected, '
1513
+ 'this usually occurs when no bounds are '
1514
+ 'specified, Qhull can only run with '
1515
+ 'handling cocircular/cospherical points'
1516
+ ' and in this case incremental mode is '
1517
+ 'switched off. The performance of shgo '
1518
+ 'will be reduced in this mode.')
1519
+ self.qhull_incremental = False
1520
+ self.Tri = spatial.Delaunay(self.C,
1521
+ incremental=
1522
+ self.qhull_incremental)
1523
+ else:
1524
+ raise
1525
+
1526
+ return self.Tri
1527
+
1528
+
1529
+ class LMap:
1530
+ def __init__(self, v):
1531
+ self.v = v
1532
+ self.x_l = None
1533
+ self.lres = None
1534
+ self.f_min = None
1535
+ self.lbounds = []
1536
+
1537
+
1538
+ class LMapCache:
1539
+ def __init__(self):
1540
+ self.cache = {}
1541
+
1542
+ # Lists for search queries
1543
+ self.v_maps = []
1544
+ self.xl_maps = []
1545
+ self.xl_maps_set = set()
1546
+ self.f_maps = []
1547
+ self.lbound_maps = []
1548
+ self.size = 0
1549
+
1550
+ def __getitem__(self, v):
1551
+ try:
1552
+ v = np.ndarray.tolist(v)
1553
+ except TypeError:
1554
+ pass
1555
+ v = tuple(v)
1556
+ try:
1557
+ return self.cache[v]
1558
+ except KeyError:
1559
+ xval = LMap(v)
1560
+ self.cache[v] = xval
1561
+
1562
+ return self.cache[v]
1563
+
1564
+ def add_res(self, v, lres, bounds=None):
1565
+ v = np.ndarray.tolist(v)
1566
+ v = tuple(v)
1567
+ self.cache[v].x_l = lres.x
1568
+ self.cache[v].lres = lres
1569
+ self.cache[v].f_min = lres.fun
1570
+ self.cache[v].lbounds = bounds
1571
+
1572
+ # Update cache size
1573
+ self.size += 1
1574
+
1575
+ # Cache lists for search queries
1576
+ self.v_maps.append(v)
1577
+ self.xl_maps.append(lres.x)
1578
+ self.xl_maps_set.add(tuple(lres.x))
1579
+ self.f_maps.append(lres.fun)
1580
+ self.lbound_maps.append(bounds)
1581
+
1582
+ def sort_cache_result(self):
1583
+ """
1584
+ Sort results and build the global return object
1585
+ """
1586
+ results = {}
1587
+ # Sort results and save
1588
+ self.xl_maps = np.array(self.xl_maps)
1589
+ self.f_maps = np.array(self.f_maps)
1590
+
1591
+ # Sorted indexes in Func_min
1592
+ ind_sorted = np.argsort(self.f_maps)
1593
+
1594
+ # Save ordered list of minima
1595
+ results['xl'] = self.xl_maps[ind_sorted] # Ordered x vals
1596
+ self.f_maps = np.array(self.f_maps)
1597
+ results['funl'] = self.f_maps[ind_sorted]
1598
+ results['funl'] = results['funl'].T
1599
+
1600
+ # Find global of all minimizers
1601
+ results['x'] = self.xl_maps[ind_sorted[0]] # Save global minima
1602
+ results['fun'] = self.f_maps[ind_sorted[0]] # Save global fun value
1603
+
1604
+ self.xl_maps = np.ndarray.tolist(self.xl_maps)
1605
+ self.f_maps = np.ndarray.tolist(self.f_maps)
1606
+ return results