scipy 1.16.2__cp313-cp313t-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.cp313t-win_arm64.lib +0 -0
  4. scipy/_cyutility.cp313t-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.cp313t-win_arm64.lib +0 -0
  13. scipy/_lib/_ccallback_c.cp313t-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.cp313t-win_arm64.lib +0 -0
  18. scipy/_lib/_fpumode.cp313t-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.cp313t-win_arm64.lib +0 -0
  23. scipy/_lib/_test_ccallback.cp313t-win_arm64.pyd +0 -0
  24. scipy/_lib/_test_deprecation_call.cp313t-win_arm64.lib +0 -0
  25. scipy/_lib/_test_deprecation_call.cp313t-win_arm64.pyd +0 -0
  26. scipy/_lib/_test_deprecation_def.cp313t-win_arm64.lib +0 -0
  27. scipy/_lib/_test_deprecation_def.cp313t-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.cp313t-win_arm64.lib +0 -0
  35. scipy/_lib/_uarray/_uarray.cp313t-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.cp313t-win_arm64.lib +0 -0
  101. scipy/_lib/messagestream.cp313t-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.cp313t-win_arm64.lib +0 -0
  148. scipy/cluster/_hierarchy.cp313t-win_arm64.pyd +0 -0
  149. scipy/cluster/_optimal_leaf_ordering.cp313t-win_arm64.lib +0 -0
  150. scipy/cluster/_optimal_leaf_ordering.cp313t-win_arm64.pyd +0 -0
  151. scipy/cluster/_vq.cp313t-win_arm64.lib +0 -0
  152. scipy/cluster/_vq.cp313t-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.cp313t-win_arm64.lib +0 -0
  193. scipy/fft/_pocketfft/pypocketfft.cp313t-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.cp313t-win_arm64.lib +0 -0
  215. scipy/fftpack/convolve.cp313t-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.cp313t-win_arm64.lib +0 -0
  233. scipy/integrate/_dop.cp313t-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.cp313t-win_arm64.lib +0 -0
  248. scipy/integrate/_lsoda.cp313t-win_arm64.pyd +0 -0
  249. scipy/integrate/_ode.py +1395 -0
  250. scipy/integrate/_odepack.cp313t-win_arm64.lib +0 -0
  251. scipy/integrate/_odepack.cp313t-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.cp313t-win_arm64.lib +0 -0
  255. scipy/integrate/_quadpack.cp313t-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.cp313t-win_arm64.lib +0 -0
  265. scipy/integrate/_test_multivariate.cp313t-win_arm64.pyd +0 -0
  266. scipy/integrate/_test_odeint_banded.cp313t-win_arm64.lib +0 -0
  267. scipy/integrate/_test_odeint_banded.cp313t-win_arm64.pyd +0 -0
  268. scipy/integrate/_vode.cp313t-win_arm64.lib +0 -0
  269. scipy/integrate/_vode.cp313t-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.cp313t-win_arm64.lib +0 -0
  290. scipy/interpolate/_dfitpack.cp313t-win_arm64.pyd +0 -0
  291. scipy/interpolate/_dierckx.cp313t-win_arm64.lib +0 -0
  292. scipy/interpolate/_dierckx.cp313t-win_arm64.pyd +0 -0
  293. scipy/interpolate/_fitpack.cp313t-win_arm64.lib +0 -0
  294. scipy/interpolate/_fitpack.cp313t-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.cp313t-win_arm64.lib +0 -0
  300. scipy/interpolate/_interpnd.cp313t-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.cp313t-win_arm64.lib +0 -0
  307. scipy/interpolate/_ppoly.cp313t-win_arm64.pyd +0 -0
  308. scipy/interpolate/_rbf.py +290 -0
  309. scipy/interpolate/_rbfinterp.py +550 -0
  310. scipy/interpolate/_rbfinterp_pythran.cp313t-win_arm64.lib +0 -0
  311. scipy/interpolate/_rbfinterp_pythran.cp313t-win_arm64.pyd +0 -0
  312. scipy/interpolate/_rgi.py +764 -0
  313. scipy/interpolate/_rgi_cython.cp313t-win_arm64.lib +0 -0
  314. scipy/interpolate/_rgi_cython.cp313t-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
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  1511. scipy/stats/tests/test_odds_ratio.py +148 -0
  1512. scipy/stats/tests/test_qmc.py +1492 -0
  1513. scipy/stats/tests/test_quantile.py +199 -0
  1514. scipy/stats/tests/test_rank.py +345 -0
  1515. scipy/stats/tests/test_relative_risk.py +95 -0
  1516. scipy/stats/tests/test_resampling.py +2000 -0
  1517. scipy/stats/tests/test_sampling.py +1450 -0
  1518. scipy/stats/tests/test_sensitivity_analysis.py +310 -0
  1519. scipy/stats/tests/test_stats.py +9707 -0
  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 +1,1044 @@
1
+ """Generic interface for least-squares minimization."""
2
+ from warnings import warn
3
+
4
+ import numpy as np
5
+ from numpy.linalg import norm
6
+
7
+ from scipy.sparse.linalg import LinearOperator
8
+ from scipy.optimize import _minpack, OptimizeResult
9
+ from scipy.optimize._differentiable_functions import VectorFunction
10
+ from scipy.optimize._numdiff import group_columns
11
+ from scipy.optimize._minimize import Bounds
12
+ from scipy._lib._sparse import issparse
13
+ from scipy._lib._array_api import array_namespace
14
+ from scipy._lib._util import _workers_wrapper
15
+
16
+ from .trf import trf
17
+ from .dogbox import dogbox
18
+ from .common import EPS, in_bounds, make_strictly_feasible
19
+
20
+
21
+ from scipy.optimize._optimize import _wrap_callback
22
+
23
+ TERMINATION_MESSAGES = {
24
+ -2: "Stopped because `callback` function raised `StopIteration` or returned `True`",
25
+ -1: "Improper input parameters status returned from `leastsq`",
26
+ 0: "The maximum number of function evaluations is exceeded.",
27
+ 1: "`gtol` termination condition is satisfied.",
28
+ 2: "`ftol` termination condition is satisfied.",
29
+ 3: "`xtol` termination condition is satisfied.",
30
+ 4: "Both `ftol` and `xtol` termination conditions are satisfied."
31
+ }
32
+
33
+
34
+ FROM_MINPACK_TO_COMMON = {
35
+ 0: -1, # Improper input parameters from MINPACK.
36
+ 1: 2,
37
+ 2: 3,
38
+ 3: 4,
39
+ 4: 1,
40
+ 5: 0
41
+ # There are 6, 7, 8 for too small tolerance parameters,
42
+ # but we guard against it by checking ftol, xtol, gtol beforehand.
43
+ }
44
+
45
+
46
+ def call_minpack(fun, x0, jac, ftol, xtol, gtol, max_nfev, x_scale, jac_method=None):
47
+ n = x0.size
48
+
49
+ # Compute MINPACK's `diag`, which is inverse of our `x_scale` and
50
+ # ``x_scale='jac'`` corresponds to ``diag=None``.
51
+
52
+ # 1.16.0 - default x_scale changed to 'jac', with diag=None
53
+ if x_scale is None or (isinstance(x_scale, str) and x_scale == 'jac'):
54
+ diag = None
55
+ else:
56
+ # x_scale specified, so use that
57
+ diag = 1 / x_scale
58
+
59
+ full_output = True
60
+ col_deriv = False
61
+ factor = 100.0
62
+
63
+ if max_nfev is None:
64
+ max_nfev = 100 * n
65
+
66
+ # lmder is typically used for systems with analytic jacobians, with lmdif being
67
+ # used if there is only an objective fun (lmdif uses finite differences to estimate
68
+ # jacobian). Otherwise they're very similar internally.
69
+ # We now do all the finite differencing in VectorFunction, which means we can drop
70
+ # lmdif and just use lmder.
71
+
72
+ # for sending a copy of x0 into _lmder
73
+ xp = array_namespace(x0)
74
+
75
+ x, info, status = _minpack._lmder(
76
+ fun, jac, xp.astype(x0, x0.dtype), (), full_output, col_deriv,
77
+ ftol, xtol, gtol, max_nfev, factor, diag)
78
+
79
+ f = info['fvec']
80
+ J = jac(x)
81
+
82
+ cost = 0.5 * np.dot(f, f)
83
+ g = J.T.dot(f)
84
+ g_norm = norm(g, ord=np.inf)
85
+
86
+ nfev = info['nfev']
87
+ if callable(jac_method):
88
+ # user supplied a callable ("analytic") jac
89
+ njev = info.get('njev', None)
90
+ else:
91
+ # If there are no analytic jacobian evaluations we need to set `njev=None`.
92
+ njev = None
93
+
94
+ status = FROM_MINPACK_TO_COMMON[status]
95
+ active_mask = np.zeros_like(x0, dtype=int)
96
+
97
+ return OptimizeResult(
98
+ x=x, cost=cost, fun=f, jac=J, grad=g, optimality=g_norm,
99
+ active_mask=active_mask, nfev=nfev, njev=njev, status=status)
100
+
101
+
102
+ def prepare_bounds(bounds, n):
103
+ lb, ub = (np.asarray(b, dtype=float) for b in bounds)
104
+ if lb.ndim == 0:
105
+ lb = np.resize(lb, n)
106
+
107
+ if ub.ndim == 0:
108
+ ub = np.resize(ub, n)
109
+
110
+ return lb, ub
111
+
112
+
113
+ def check_tolerance(ftol, xtol, gtol, method):
114
+ def check(tol, name):
115
+ if tol is None:
116
+ tol = 0
117
+ elif tol < EPS:
118
+ warn(f"Setting `{name}` below the machine epsilon ({EPS:.2e}) effectively "
119
+ f"disables the corresponding termination condition.",
120
+ stacklevel=3)
121
+ return tol
122
+
123
+ ftol = check(ftol, "ftol")
124
+ xtol = check(xtol, "xtol")
125
+ gtol = check(gtol, "gtol")
126
+
127
+ if method == "lm" and (ftol < EPS or xtol < EPS or gtol < EPS):
128
+ raise ValueError("All tolerances must be higher than machine epsilon "
129
+ f"({EPS:.2e}) for method 'lm'.")
130
+ elif ftol < EPS and xtol < EPS and gtol < EPS:
131
+ raise ValueError("At least one of the tolerances must be higher than "
132
+ f"machine epsilon ({EPS:.2e}).")
133
+
134
+ return ftol, xtol, gtol
135
+
136
+
137
+ def check_x_scale(x_scale, x0, method):
138
+ # normalise the default scaling
139
+ if x_scale is None:
140
+ if method == 'lm':
141
+ return 'jac'
142
+ else: # dogbox, trf
143
+ x_scale = 1.0
144
+
145
+ if isinstance(x_scale, str) and x_scale == 'jac':
146
+ return x_scale
147
+
148
+ try:
149
+ x_scale = np.asarray(x_scale, dtype=float)
150
+ valid = np.all(np.isfinite(x_scale)) and np.all(x_scale > 0)
151
+ except (ValueError, TypeError):
152
+ valid = False
153
+
154
+ if not valid:
155
+ raise ValueError("`x_scale` must be 'jac' or array_like with "
156
+ "positive numbers.")
157
+
158
+ if x_scale.ndim == 0:
159
+ x_scale = np.resize(x_scale, x0.shape)
160
+
161
+ if x_scale.shape != x0.shape:
162
+ raise ValueError("Inconsistent shapes between `x_scale` and `x0`.")
163
+
164
+ return x_scale
165
+
166
+
167
+ def check_jac_sparsity(jac_sparsity, m, n):
168
+ if jac_sparsity is None:
169
+ return None
170
+
171
+ if not issparse(jac_sparsity):
172
+ jac_sparsity = np.atleast_2d(jac_sparsity)
173
+
174
+ if jac_sparsity.shape != (m, n):
175
+ raise ValueError("`jac_sparsity` has wrong shape.")
176
+
177
+ return jac_sparsity, group_columns(jac_sparsity)
178
+
179
+
180
+ # Loss functions.
181
+
182
+
183
+ def huber(z, rho, cost_only):
184
+ mask = z <= 1
185
+ rho[0, mask] = z[mask]
186
+ rho[0, ~mask] = 2 * z[~mask]**0.5 - 1
187
+ if cost_only:
188
+ return
189
+ rho[1, mask] = 1
190
+ rho[1, ~mask] = z[~mask]**-0.5
191
+ rho[2, mask] = 0
192
+ rho[2, ~mask] = -0.5 * z[~mask]**-1.5
193
+
194
+
195
+ def soft_l1(z, rho, cost_only):
196
+ t = 1 + z
197
+ rho[0] = 2 * (t**0.5 - 1)
198
+ if cost_only:
199
+ return
200
+ rho[1] = t**-0.5
201
+ rho[2] = -0.5 * t**-1.5
202
+
203
+
204
+ def cauchy(z, rho, cost_only):
205
+ rho[0] = np.log1p(z)
206
+ if cost_only:
207
+ return
208
+ t = 1 + z
209
+ rho[1] = 1 / t
210
+ rho[2] = -1 / t**2
211
+
212
+
213
+ def arctan(z, rho, cost_only):
214
+ rho[0] = np.arctan(z)
215
+ if cost_only:
216
+ return
217
+ t = 1 + z**2
218
+ rho[1] = 1 / t
219
+ rho[2] = -2 * z / t**2
220
+
221
+
222
+ IMPLEMENTED_LOSSES = dict(linear=None, huber=huber, soft_l1=soft_l1,
223
+ cauchy=cauchy, arctan=arctan)
224
+
225
+
226
+ def construct_loss_function(m, loss, f_scale):
227
+ if loss == 'linear':
228
+ return None
229
+
230
+ if not callable(loss):
231
+ loss = IMPLEMENTED_LOSSES[loss]
232
+ rho = np.empty((3, m))
233
+
234
+ def loss_function(f, cost_only=False):
235
+ z = (f / f_scale) ** 2
236
+ loss(z, rho, cost_only=cost_only)
237
+ if cost_only:
238
+ return 0.5 * f_scale ** 2 * np.sum(rho[0])
239
+ rho[0] *= f_scale ** 2
240
+ rho[2] /= f_scale ** 2
241
+ return rho
242
+ else:
243
+ def loss_function(f, cost_only=False):
244
+ z = (f / f_scale) ** 2
245
+ rho = loss(z)
246
+ if cost_only:
247
+ return 0.5 * f_scale ** 2 * np.sum(rho[0])
248
+ rho[0] *= f_scale ** 2
249
+ rho[2] /= f_scale ** 2
250
+ return rho
251
+
252
+ return loss_function
253
+
254
+
255
+ class _WrapArgsKwargs:
256
+ # Supplies a user function with args and kwargs.
257
+ def __init__(self, f, args=(), kwargs=None):
258
+ self.f = f
259
+ self.args = args
260
+ self.kwargs = kwargs or {}
261
+
262
+ def __call__(self, x):
263
+ return self.f(x, *self.args, **self.kwargs)
264
+
265
+
266
+ @_workers_wrapper
267
+ def least_squares(
268
+ fun, x0, jac='2-point', bounds=(-np.inf, np.inf), method='trf',
269
+ ftol=1e-8, xtol=1e-8, gtol=1e-8, x_scale=None, loss='linear',
270
+ f_scale=1.0, diff_step=None, tr_solver=None, tr_options=None,
271
+ jac_sparsity=None, max_nfev=None, verbose=0, args=(), kwargs=None,
272
+ callback=None, workers=None
273
+ ):
274
+ """Solve a nonlinear least-squares problem with bounds on the variables.
275
+
276
+ Given the residuals f(x) (an m-D real function of n real
277
+ variables) and the loss function rho(s) (a scalar function), `least_squares`
278
+ finds a local minimum of the cost function F(x)::
279
+
280
+ minimize F(x) = 0.5 * sum(rho(f_i(x)**2), i = 0, ..., m - 1)
281
+ subject to lb <= x <= ub
282
+
283
+ The purpose of the loss function rho(s) is to reduce the influence of
284
+ outliers on the solution.
285
+
286
+ Parameters
287
+ ----------
288
+ fun : callable
289
+ Function which computes the vector of residuals, with the signature
290
+ ``fun(x, *args, **kwargs)``, i.e., the minimization proceeds with
291
+ respect to its first argument. The argument ``x`` passed to this
292
+ function is an ndarray of shape (n,) (never a scalar, even for n=1).
293
+ It must allocate and return a 1-D array_like of shape (m,) or a scalar.
294
+ If the argument ``x`` is complex or the function ``fun`` returns
295
+ complex residuals, it must be wrapped in a real function of real
296
+ arguments, as shown at the end of the Examples section.
297
+ x0 : array_like with shape (n,) or float
298
+ Initial guess on independent variables. If float, it will be treated
299
+ as a 1-D array with one element. When `method` is 'trf', the initial
300
+ guess might be slightly adjusted to lie sufficiently within the given
301
+ `bounds`.
302
+ jac : {'2-point', '3-point', 'cs', callable}, optional
303
+ Method of computing the Jacobian matrix (an m-by-n matrix, where
304
+ element (i, j) is the partial derivative of f[i] with respect to
305
+ x[j]). The keywords select a finite difference scheme for numerical
306
+ estimation. The scheme '3-point' is more accurate, but requires
307
+ twice as many operations as '2-point' (default). The scheme 'cs'
308
+ uses complex steps, and while potentially the most accurate, it is
309
+ applicable only when `fun` correctly handles complex inputs and
310
+ can be analytically continued to the complex plane. If callable, it is used as
311
+ ``jac(x, *args, **kwargs)`` and should return a good approximation
312
+ (or the exact value) for the Jacobian as an array_like (np.atleast_2d
313
+ is applied), a sparse array (csr_array preferred for performance) or
314
+ a `scipy.sparse.linalg.LinearOperator`.
315
+
316
+ .. versionchanged:: 1.16.0
317
+ An ability to use the '3-point', 'cs' keywords with the 'lm' method.
318
+ Previously 'lm' was limited to '2-point' and callable.
319
+
320
+ bounds : 2-tuple of array_like or `Bounds`, optional
321
+ There are two ways to specify bounds:
322
+
323
+ 1. Instance of `Bounds` class
324
+ 2. Lower and upper bounds on independent variables. Defaults to no
325
+ bounds. Each array must match the size of `x0` or be a scalar,
326
+ in the latter case a bound will be the same for all variables.
327
+ Use ``np.inf`` with an appropriate sign to disable bounds on all
328
+ or some variables.
329
+
330
+ method : {'trf', 'dogbox', 'lm'}, optional
331
+ Algorithm to perform minimization.
332
+
333
+ * 'trf' : Trust Region Reflective algorithm, particularly suitable
334
+ for large sparse problems with bounds. Generally robust method.
335
+ * 'dogbox' : dogleg algorithm with rectangular trust regions,
336
+ typical use case is small problems with bounds. Not recommended
337
+ for problems with rank-deficient Jacobian.
338
+ * 'lm' : Levenberg-Marquardt algorithm as implemented in MINPACK.
339
+ Doesn't handle bounds and sparse Jacobians. Usually the most
340
+ efficient method for small unconstrained problems.
341
+
342
+ Default is 'trf'. See Notes for more information.
343
+ ftol : float or None, optional
344
+ Tolerance for termination by the change of the cost function. Default
345
+ is 1e-8. The optimization process is stopped when ``dF < ftol * F``,
346
+ and there was an adequate agreement between a local quadratic model and
347
+ the true model in the last step.
348
+
349
+ If None and 'method' is not 'lm', the termination by this condition is
350
+ disabled. If 'method' is 'lm', this tolerance must be higher than
351
+ machine epsilon.
352
+ xtol : float or None, optional
353
+ Tolerance for termination by the change of the independent variables.
354
+ Default is 1e-8. The exact condition depends on the `method` used:
355
+
356
+ * For 'trf' and 'dogbox' : ``norm(dx) < xtol * (xtol + norm(x))``.
357
+ * For 'lm' : ``Delta < xtol * norm(xs)``, where ``Delta`` is
358
+ a trust-region radius and ``xs`` is the value of ``x``
359
+ scaled according to `x_scale` parameter (see below).
360
+
361
+ If None and 'method' is not 'lm', the termination by this condition is
362
+ disabled. If 'method' is 'lm', this tolerance must be higher than
363
+ machine epsilon.
364
+ gtol : float or None, optional
365
+ Tolerance for termination by the norm of the gradient. Default is 1e-8.
366
+ The exact condition depends on a `method` used:
367
+
368
+ * For 'trf' : ``norm(g_scaled, ord=np.inf) < gtol``, where
369
+ ``g_scaled`` is the value of the gradient scaled to account for
370
+ the presence of the bounds [STIR]_.
371
+ * For 'dogbox' : ``norm(g_free, ord=np.inf) < gtol``, where
372
+ ``g_free`` is the gradient with respect to the variables which
373
+ are not in the optimal state on the boundary.
374
+ * For 'lm' : the maximum absolute value of the cosine of angles
375
+ between columns of the Jacobian and the residual vector is less
376
+ than `gtol`, or the residual vector is zero.
377
+
378
+ If None and 'method' is not 'lm', the termination by this condition is
379
+ disabled. If 'method' is 'lm', this tolerance must be higher than
380
+ machine epsilon.
381
+ x_scale : {None, array_like, 'jac'}, optional
382
+ Characteristic scale of each variable. Setting `x_scale` is equivalent
383
+ to reformulating the problem in scaled variables ``xs = x / x_scale``.
384
+ An alternative view is that the size of a trust region along jth
385
+ dimension is proportional to ``x_scale[j]``. Improved convergence may
386
+ be achieved by setting `x_scale` such that a step of a given size
387
+ along any of the scaled variables has a similar effect on the cost
388
+ function. If set to 'jac', the scale is iteratively updated using the
389
+ inverse norms of the columns of the Jacobian matrix (as described in
390
+ [JJMore]_). The default scaling for each method (i.e.
391
+ if ``x_scale is None``) is as follows:
392
+
393
+ * For 'trf' : ``x_scale == 1``
394
+ * For 'dogbox' : ``x_scale == 1``
395
+ * For 'lm' : ``x_scale == 'jac'``
396
+
397
+ .. versionchanged:: 1.16.0
398
+ The default keyword value is changed from 1 to None to indicate that
399
+ a default approach to scaling is used.
400
+ For the 'lm' method the default scaling is changed from 1 to 'jac'.
401
+ This has been found to give better performance, and is the same
402
+ scaling as performed by ``leastsq``.
403
+
404
+ loss : str or callable, optional
405
+ Determines the loss function. The following keyword values are allowed:
406
+
407
+ * 'linear' (default) : ``rho(z) = z``. Gives a standard
408
+ least-squares problem.
409
+ * 'soft_l1' : ``rho(z) = 2 * ((1 + z)**0.5 - 1)``. The smooth
410
+ approximation of l1 (absolute value) loss. Usually a good
411
+ choice for robust least squares.
412
+ * 'huber' : ``rho(z) = z if z <= 1 else 2*z**0.5 - 1``. Works
413
+ similarly to 'soft_l1'.
414
+ * 'cauchy' : ``rho(z) = ln(1 + z)``. Severely weakens outliers
415
+ influence, but may cause difficulties in optimization process.
416
+ * 'arctan' : ``rho(z) = arctan(z)``. Limits a maximum loss on
417
+ a single residual, has properties similar to 'cauchy'.
418
+
419
+ If callable, it must take a 1-D ndarray ``z=f**2`` and return an
420
+ array_like with shape (3, m) where row 0 contains function values,
421
+ row 1 contains first derivatives and row 2 contains second
422
+ derivatives. Method 'lm' supports only 'linear' loss.
423
+ f_scale : float, optional
424
+ Value of soft margin between inlier and outlier residuals, default
425
+ is 1.0. The loss function is evaluated as follows
426
+ ``rho_(f**2) = C**2 * rho(f**2 / C**2)``, where ``C`` is `f_scale`,
427
+ and ``rho`` is determined by `loss` parameter. This parameter has
428
+ no effect with ``loss='linear'``, but for other `loss` values it is
429
+ of crucial importance.
430
+ max_nfev : None or int, optional
431
+ For all methods this parameter controls the maximum number of function
432
+ evaluations used by each method, separate to those used in numerical
433
+ approximation of the jacobian.
434
+ If None (default), the value is chosen automatically as 100 * n.
435
+
436
+ .. versionchanged:: 1.16.0
437
+ The default for the 'lm' method is changed to 100 * n, for both a callable
438
+ and a numerically estimated jacobian. Previously the default when using an
439
+ estimated jacobian was 100 * n * (n + 1), because the method included
440
+ evaluations used in the estimation.
441
+
442
+ diff_step : None or array_like, optional
443
+ Determines the relative step size for the finite difference
444
+ approximation of the Jacobian. The actual step is computed as
445
+ ``x * diff_step``. If None (default), then `diff_step` is taken to be
446
+ a conventional "optimal" power of machine epsilon for the finite
447
+ difference scheme used [NR]_.
448
+ tr_solver : {None, 'exact', 'lsmr'}, optional
449
+ Method for solving trust-region subproblems, relevant only for 'trf'
450
+ and 'dogbox' methods.
451
+
452
+ * 'exact' is suitable for not very large problems with dense
453
+ Jacobian matrices. The computational complexity per iteration is
454
+ comparable to a singular value decomposition of the Jacobian
455
+ matrix.
456
+ * 'lsmr' is suitable for problems with sparse and large Jacobian
457
+ matrices. It uses the iterative procedure
458
+ `scipy.sparse.linalg.lsmr` for finding a solution of a linear
459
+ least-squares problem and only requires matrix-vector product
460
+ evaluations.
461
+
462
+ If None (default), the solver is chosen based on the type of Jacobian
463
+ returned on the first iteration.
464
+ tr_options : dict, optional
465
+ Keyword options passed to trust-region solver.
466
+
467
+ * ``tr_solver='exact'``: `tr_options` are ignored.
468
+ * ``tr_solver='lsmr'``: options for `scipy.sparse.linalg.lsmr`.
469
+ Additionally, ``method='trf'`` supports 'regularize' option
470
+ (bool, default is True), which adds a regularization term to the
471
+ normal equation, which improves convergence if the Jacobian is
472
+ rank-deficient [Byrd]_ (eq. 3.4).
473
+
474
+ jac_sparsity : {None, array_like, sparse array}, optional
475
+ Defines the sparsity structure of the Jacobian matrix for finite
476
+ difference estimation, its shape must be (m, n). If the Jacobian has
477
+ only few non-zero elements in *each* row, providing the sparsity
478
+ structure will greatly speed up the computations [Curtis]_. A zero
479
+ entry means that a corresponding element in the Jacobian is identically
480
+ zero. If provided, forces the use of 'lsmr' trust-region solver.
481
+ If None (default), then dense differencing will be used. Has no effect
482
+ for 'lm' method.
483
+ verbose : {0, 1, 2}, optional
484
+ Level of algorithm's verbosity:
485
+
486
+ * 0 (default) : work silently.
487
+ * 1 : display a termination report.
488
+ * 2 : display progress during iterations (not supported by 'lm'
489
+ method).
490
+
491
+ args, kwargs : tuple and dict, optional
492
+ Additional arguments passed to `fun` and `jac`. Both empty by default.
493
+ The calling signature is ``fun(x, *args, **kwargs)`` and the same for
494
+ `jac`.
495
+ callback : None or callable, optional
496
+ Callback function that is called by the algorithm on each iteration.
497
+ This can be used to print or plot the optimization results at each
498
+ step, and to stop the optimization algorithm based on some user-defined
499
+ condition. Only implemented for the `trf` and `dogbox` methods.
500
+
501
+ The signature is ``callback(intermediate_result: OptimizeResult)``
502
+
503
+ `intermediate_result is a `scipy.optimize.OptimizeResult`
504
+ which contains the intermediate results of the optimization at the
505
+ current iteration.
506
+
507
+ The callback also supports a signature like: ``callback(x)``
508
+
509
+ Introspection is used to determine which of the signatures is invoked.
510
+
511
+ If the `callback` function raises `StopIteration` the optimization algorithm
512
+ will stop and return with status code -2.
513
+
514
+ .. versionadded:: 1.16.0
515
+ workers : map-like callable, optional
516
+ A map-like callable, such as `multiprocessing.Pool.map` for evaluating
517
+ any numerical differentiation in parallel.
518
+ This evaluation is carried out as ``workers(fun, iterable)``.
519
+
520
+ .. versionadded:: 1.16.0
521
+
522
+ Returns
523
+ -------
524
+ result : OptimizeResult
525
+ `OptimizeResult` with the following fields defined:
526
+
527
+ x : ndarray, shape (n,)
528
+ Solution found.
529
+ cost : float
530
+ Value of the cost function at the solution.
531
+ fun : ndarray, shape (m,)
532
+ Vector of residuals at the solution.
533
+ jac : ndarray, sparse array or LinearOperator, shape (m, n)
534
+ Modified Jacobian matrix at the solution, in the sense that J^T J
535
+ is a Gauss-Newton approximation of the Hessian of the cost function.
536
+ The type is the same as the one used by the algorithm.
537
+ grad : ndarray, shape (m,)
538
+ Gradient of the cost function at the solution.
539
+ optimality : float
540
+ First-order optimality measure. In unconstrained problems, it is
541
+ always the uniform norm of the gradient. In constrained problems,
542
+ it is the quantity which was compared with `gtol` during iterations.
543
+ active_mask : ndarray of int, shape (n,)
544
+ Each component shows whether a corresponding constraint is active
545
+ (that is, whether a variable is at the bound):
546
+
547
+ * 0 : a constraint is not active.
548
+ * -1 : a lower bound is active.
549
+ * 1 : an upper bound is active.
550
+
551
+ Might be somewhat arbitrary for 'trf' method as it generates a
552
+ sequence of strictly feasible iterates and `active_mask` is
553
+ determined within a tolerance threshold.
554
+ nfev : int
555
+ Number of function evaluations done. This number does not include
556
+ the function calls used for numerical Jacobian approximation.
557
+
558
+ .. versionchanged:: 1.16.0
559
+ For the 'lm' method the number of function calls used in numerical
560
+ Jacobian approximation is no longer included. This is to bring all
561
+ methods into line.
562
+
563
+ njev : int or None
564
+ Number of Jacobian evaluations done. If numerical Jacobian
565
+ approximation is used in 'lm' method, it is set to None.
566
+ status : int
567
+ The reason for algorithm termination:
568
+
569
+ * -2 : terminated because callback raised StopIteration.
570
+ * -1 : improper input parameters status returned from MINPACK.
571
+ * 0 : the maximum number of function evaluations is exceeded.
572
+ * 1 : `gtol` termination condition is satisfied.
573
+ * 2 : `ftol` termination condition is satisfied.
574
+ * 3 : `xtol` termination condition is satisfied.
575
+ * 4 : Both `ftol` and `xtol` termination conditions are satisfied.
576
+
577
+ message : str
578
+ Verbal description of the termination reason.
579
+ success : bool
580
+ True if one of the convergence criteria is satisfied (`status` > 0).
581
+
582
+ See Also
583
+ --------
584
+ leastsq : A legacy wrapper for the MINPACK implementation of the
585
+ Levenberg-Marquadt algorithm.
586
+ curve_fit : Least-squares minimization applied to a curve-fitting problem.
587
+
588
+ Notes
589
+ -----
590
+ Method 'lm' (Levenberg-Marquardt) calls a wrapper over a least-squares
591
+ algorithm implemented in MINPACK (lmder). It runs the
592
+ Levenberg-Marquardt algorithm formulated as a trust-region type algorithm.
593
+ The implementation is based on paper [JJMore]_, it is very robust and
594
+ efficient with a lot of smart tricks. It should be your first choice
595
+ for unconstrained problems. Note that it doesn't support bounds. Also,
596
+ it doesn't work when m < n.
597
+
598
+ Method 'trf' (Trust Region Reflective) is motivated by the process of
599
+ solving a system of equations, which constitute the first-order optimality
600
+ condition for a bound-constrained minimization problem as formulated in
601
+ [STIR]_. The algorithm iteratively solves trust-region subproblems
602
+ augmented by a special diagonal quadratic term and with trust-region shape
603
+ determined by the distance from the bounds and the direction of the
604
+ gradient. This enhancements help to avoid making steps directly into bounds
605
+ and efficiently explore the whole space of variables. To further improve
606
+ convergence, the algorithm considers search directions reflected from the
607
+ bounds. To obey theoretical requirements, the algorithm keeps iterates
608
+ strictly feasible. With dense Jacobians trust-region subproblems are
609
+ solved by an exact method very similar to the one described in [JJMore]_
610
+ (and implemented in MINPACK). The difference from the MINPACK
611
+ implementation is that a singular value decomposition of a Jacobian
612
+ matrix is done once per iteration, instead of a QR decomposition and series
613
+ of Givens rotation eliminations. For large sparse Jacobians a 2-D subspace
614
+ approach of solving trust-region subproblems is used [STIR]_, [Byrd]_.
615
+ The subspace is spanned by a scaled gradient and an approximate
616
+ Gauss-Newton solution delivered by `scipy.sparse.linalg.lsmr`. When no
617
+ constraints are imposed the algorithm is very similar to MINPACK and has
618
+ generally comparable performance. The algorithm works quite robust in
619
+ unbounded and bounded problems, thus it is chosen as a default algorithm.
620
+
621
+ Method 'dogbox' operates in a trust-region framework, but considers
622
+ rectangular trust regions as opposed to conventional ellipsoids [Voglis]_.
623
+ The intersection of a current trust region and initial bounds is again
624
+ rectangular, so on each iteration a quadratic minimization problem subject
625
+ to bound constraints is solved approximately by Powell's dogleg method
626
+ [NumOpt]_. The required Gauss-Newton step can be computed exactly for
627
+ dense Jacobians or approximately by `scipy.sparse.linalg.lsmr` for large
628
+ sparse Jacobians. The algorithm is likely to exhibit slow convergence when
629
+ the rank of Jacobian is less than the number of variables. The algorithm
630
+ often outperforms 'trf' in bounded problems with a small number of
631
+ variables.
632
+
633
+ Robust loss functions are implemented as described in [BA]_. The idea
634
+ is to modify a residual vector and a Jacobian matrix on each iteration
635
+ such that computed gradient and Gauss-Newton Hessian approximation match
636
+ the true gradient and Hessian approximation of the cost function. Then
637
+ the algorithm proceeds in a normal way, i.e., robust loss functions are
638
+ implemented as a simple wrapper over standard least-squares algorithms.
639
+
640
+ .. versionadded:: 0.17.0
641
+
642
+ References
643
+ ----------
644
+ .. [STIR] M. A. Branch, T. F. Coleman, and Y. Li, "A Subspace, Interior,
645
+ and Conjugate Gradient Method for Large-Scale Bound-Constrained
646
+ Minimization Problems," SIAM Journal on Scientific Computing,
647
+ Vol. 21, Number 1, pp 1-23, 1999.
648
+ .. [NR] William H. Press et. al., "Numerical Recipes. The Art of Scientific
649
+ Computing. 3rd edition", Sec. 5.7.
650
+ .. [Byrd] R. H. Byrd, R. B. Schnabel and G. A. Shultz, "Approximate
651
+ solution of the trust region problem by minimization over
652
+ two-dimensional subspaces", Math. Programming, 40, pp. 247-263,
653
+ 1988.
654
+ .. [Curtis] A. Curtis, M. J. D. Powell, and J. Reid, "On the estimation of
655
+ sparse Jacobian matrices", Journal of the Institute of
656
+ Mathematics and its Applications, 13, pp. 117-120, 1974.
657
+ .. [JJMore] J. J. More, "The Levenberg-Marquardt Algorithm: Implementation
658
+ and Theory," Numerical Analysis, ed. G. A. Watson, Lecture
659
+ Notes in Mathematics 630, Springer Verlag, pp. 105-116, 1977.
660
+ .. [Voglis] C. Voglis and I. E. Lagaris, "A Rectangular Trust Region
661
+ Dogleg Approach for Unconstrained and Bound Constrained
662
+ Nonlinear Optimization", WSEAS International Conference on
663
+ Applied Mathematics, Corfu, Greece, 2004.
664
+ .. [NumOpt] J. Nocedal and S. J. Wright, "Numerical optimization,
665
+ 2nd edition", Chapter 4.
666
+ .. [BA] B. Triggs et. al., "Bundle Adjustment - A Modern Synthesis",
667
+ Proceedings of the International Workshop on Vision Algorithms:
668
+ Theory and Practice, pp. 298-372, 1999.
669
+
670
+ Examples
671
+ --------
672
+ In this example we find a minimum of the Rosenbrock function without bounds
673
+ on independent variables.
674
+
675
+ >>> import numpy as np
676
+ >>> def fun_rosenbrock(x):
677
+ ... return np.array([10 * (x[1] - x[0]**2), (1 - x[0])])
678
+
679
+ Notice that we only provide the vector of the residuals. The algorithm
680
+ constructs the cost function as a sum of squares of the residuals, which
681
+ gives the Rosenbrock function. The exact minimum is at ``x = [1.0, 1.0]``.
682
+
683
+ >>> from scipy.optimize import least_squares
684
+ >>> x0_rosenbrock = np.array([2, 2])
685
+ >>> res_1 = least_squares(fun_rosenbrock, x0_rosenbrock)
686
+ >>> res_1.x
687
+ array([ 1., 1.])
688
+ >>> res_1.cost
689
+ 9.8669242910846867e-30
690
+ >>> res_1.optimality
691
+ 8.8928864934219529e-14
692
+
693
+ We now constrain the variables, in such a way that the previous solution
694
+ becomes infeasible. Specifically, we require that ``x[1] >= 1.5``, and
695
+ ``x[0]`` left unconstrained. To this end, we specify the `bounds` parameter
696
+ to `least_squares` in the form ``bounds=([-np.inf, 1.5], np.inf)``.
697
+
698
+ We also provide the analytic Jacobian:
699
+
700
+ >>> def jac_rosenbrock(x):
701
+ ... return np.array([
702
+ ... [-20 * x[0], 10],
703
+ ... [-1, 0]])
704
+
705
+ Putting this all together, we see that the new solution lies on the bound:
706
+
707
+ >>> res_2 = least_squares(fun_rosenbrock, x0_rosenbrock, jac_rosenbrock,
708
+ ... bounds=([-np.inf, 1.5], np.inf))
709
+ >>> res_2.x
710
+ array([ 1.22437075, 1.5 ])
711
+ >>> res_2.cost
712
+ 0.025213093946805685
713
+ >>> res_2.optimality
714
+ 1.5885401433157753e-07
715
+
716
+ Now we solve a system of equations (i.e., the cost function should be zero
717
+ at a minimum) for a Broyden tridiagonal vector-valued function of 100000
718
+ variables:
719
+
720
+ >>> def fun_broyden(x):
721
+ ... f = (3 - x) * x + 1
722
+ ... f[1:] -= x[:-1]
723
+ ... f[:-1] -= 2 * x[1:]
724
+ ... return f
725
+
726
+ The corresponding Jacobian matrix is sparse. We tell the algorithm to
727
+ estimate it by finite differences and provide the sparsity structure of
728
+ Jacobian to significantly speed up this process.
729
+
730
+ >>> from scipy.sparse import lil_array
731
+ >>> def sparsity_broyden(n):
732
+ ... sparsity = lil_array((n, n), dtype=int)
733
+ ... i = np.arange(n)
734
+ ... sparsity[i, i] = 1
735
+ ... i = np.arange(1, n)
736
+ ... sparsity[i, i - 1] = 1
737
+ ... i = np.arange(n - 1)
738
+ ... sparsity[i, i + 1] = 1
739
+ ... return sparsity
740
+ ...
741
+ >>> n = 100000
742
+ >>> x0_broyden = -np.ones(n)
743
+ ...
744
+ >>> res_3 = least_squares(fun_broyden, x0_broyden,
745
+ ... jac_sparsity=sparsity_broyden(n))
746
+ >>> res_3.cost
747
+ 4.5687069299604613e-23
748
+ >>> res_3.optimality
749
+ 1.1650454296851518e-11
750
+
751
+ Let's also solve a curve fitting problem using robust loss function to
752
+ take care of outliers in the data. Define the model function as
753
+ ``y = a + b * exp(c * t)``, where t is a predictor variable, y is an
754
+ observation and a, b, c are parameters to estimate.
755
+
756
+ First, define the function which generates the data with noise and
757
+ outliers, define the model parameters, and generate data:
758
+
759
+ >>> from numpy.random import default_rng
760
+ >>> rng = default_rng()
761
+ >>> def gen_data(t, a, b, c, noise=0., n_outliers=0, seed=None):
762
+ ... rng = default_rng(seed)
763
+ ...
764
+ ... y = a + b * np.exp(t * c)
765
+ ...
766
+ ... error = noise * rng.standard_normal(t.size)
767
+ ... outliers = rng.integers(0, t.size, n_outliers)
768
+ ... error[outliers] *= 10
769
+ ...
770
+ ... return y + error
771
+ ...
772
+ >>> a = 0.5
773
+ >>> b = 2.0
774
+ >>> c = -1
775
+ >>> t_min = 0
776
+ >>> t_max = 10
777
+ >>> n_points = 15
778
+ ...
779
+ >>> t_train = np.linspace(t_min, t_max, n_points)
780
+ >>> y_train = gen_data(t_train, a, b, c, noise=0.1, n_outliers=3)
781
+
782
+ Define function for computing residuals and initial estimate of
783
+ parameters.
784
+
785
+ >>> def fun(x, t, y):
786
+ ... return x[0] + x[1] * np.exp(x[2] * t) - y
787
+ ...
788
+ >>> x0 = np.array([1.0, 1.0, 0.0])
789
+
790
+ Compute a standard least-squares solution:
791
+
792
+ >>> res_lsq = least_squares(fun, x0, args=(t_train, y_train))
793
+
794
+ Now compute two solutions with two different robust loss functions. The
795
+ parameter `f_scale` is set to 0.1, meaning that inlier residuals should
796
+ not significantly exceed 0.1 (the noise level used).
797
+
798
+ >>> res_soft_l1 = least_squares(fun, x0, loss='soft_l1', f_scale=0.1,
799
+ ... args=(t_train, y_train))
800
+ >>> res_log = least_squares(fun, x0, loss='cauchy', f_scale=0.1,
801
+ ... args=(t_train, y_train))
802
+
803
+ And, finally, plot all the curves. We see that by selecting an appropriate
804
+ `loss` we can get estimates close to optimal even in the presence of
805
+ strong outliers. But keep in mind that generally it is recommended to try
806
+ 'soft_l1' or 'huber' losses first (if at all necessary) as the other two
807
+ options may cause difficulties in optimization process.
808
+
809
+ >>> t_test = np.linspace(t_min, t_max, n_points * 10)
810
+ >>> y_true = gen_data(t_test, a, b, c)
811
+ >>> y_lsq = gen_data(t_test, *res_lsq.x)
812
+ >>> y_soft_l1 = gen_data(t_test, *res_soft_l1.x)
813
+ >>> y_log = gen_data(t_test, *res_log.x)
814
+ ...
815
+ >>> import matplotlib.pyplot as plt
816
+ >>> plt.plot(t_train, y_train, 'o')
817
+ >>> plt.plot(t_test, y_true, 'k', linewidth=2, label='true')
818
+ >>> plt.plot(t_test, y_lsq, label='linear loss')
819
+ >>> plt.plot(t_test, y_soft_l1, label='soft_l1 loss')
820
+ >>> plt.plot(t_test, y_log, label='cauchy loss')
821
+ >>> plt.xlabel("t")
822
+ >>> plt.ylabel("y")
823
+ >>> plt.legend()
824
+ >>> plt.show()
825
+
826
+ In the next example, we show how complex-valued residual functions of
827
+ complex variables can be optimized with ``least_squares()``. Consider the
828
+ following function:
829
+
830
+ >>> def f(z):
831
+ ... return z - (0.5 + 0.5j)
832
+
833
+ We wrap it into a function of real variables that returns real residuals
834
+ by simply handling the real and imaginary parts as independent variables:
835
+
836
+ >>> def f_wrap(x):
837
+ ... fx = f(x[0] + 1j*x[1])
838
+ ... return np.array([fx.real, fx.imag])
839
+
840
+ Thus, instead of the original m-D complex function of n complex
841
+ variables we optimize a 2m-D real function of 2n real variables:
842
+
843
+ >>> from scipy.optimize import least_squares
844
+ >>> res_wrapped = least_squares(f_wrap, (0.1, 0.1), bounds=([0, 0], [1, 1]))
845
+ >>> z = res_wrapped.x[0] + res_wrapped.x[1]*1j
846
+ >>> z
847
+ (0.49999999999925893+0.49999999999925893j)
848
+
849
+ """
850
+ if method not in ['trf', 'dogbox', 'lm']:
851
+ raise ValueError("`method` must be 'trf', 'dogbox' or 'lm'.")
852
+
853
+ if jac not in ['2-point', '3-point', 'cs'] and not callable(jac):
854
+ raise ValueError("`jac` must be '2-point', '3-point', 'cs' or "
855
+ "callable.")
856
+
857
+ if tr_solver not in [None, 'exact', 'lsmr']:
858
+ raise ValueError("`tr_solver` must be None, 'exact' or 'lsmr'.")
859
+
860
+ if loss not in IMPLEMENTED_LOSSES and not callable(loss):
861
+ raise ValueError(f"`loss` must be one of {IMPLEMENTED_LOSSES.keys()}"
862
+ " or a callable.")
863
+
864
+ if method == 'lm' and loss != 'linear':
865
+ raise ValueError("method='lm' supports only 'linear' loss function.")
866
+
867
+ if verbose not in [0, 1, 2]:
868
+ raise ValueError("`verbose` must be in [0, 1, 2].")
869
+
870
+ if max_nfev is not None and max_nfev <= 0:
871
+ raise ValueError("`max_nfev` must be None or positive integer.")
872
+
873
+ if np.iscomplexobj(x0):
874
+ raise ValueError("`x0` must be real.")
875
+
876
+ x0 = np.atleast_1d(x0).astype(float)
877
+
878
+ if x0.ndim > 1:
879
+ raise ValueError("`x0` must have at most 1 dimension.")
880
+
881
+ if isinstance(bounds, Bounds):
882
+ lb, ub = bounds.lb, bounds.ub
883
+ bounds = (lb, ub)
884
+ else:
885
+ if len(bounds) == 2:
886
+ lb, ub = prepare_bounds(bounds, x0.shape[0])
887
+ else:
888
+ raise ValueError("`bounds` must contain 2 elements.")
889
+
890
+ if method == 'lm' and not np.all((lb == -np.inf) & (ub == np.inf)):
891
+ raise ValueError("Method 'lm' doesn't support bounds.")
892
+
893
+ if lb.shape != x0.shape or ub.shape != x0.shape:
894
+ raise ValueError("Inconsistent shapes between bounds and `x0`.")
895
+
896
+ if np.any(lb >= ub):
897
+ raise ValueError("Each lower bound must be strictly less than each "
898
+ "upper bound.")
899
+
900
+ if not in_bounds(x0, lb, ub):
901
+ raise ValueError("Initial guess is outside of provided bounds")
902
+
903
+ x_scale = check_x_scale(x_scale, x0, method)
904
+
905
+ ftol, xtol, gtol = check_tolerance(ftol, xtol, gtol, method)
906
+
907
+ if method == 'trf':
908
+ x0 = make_strictly_feasible(x0, lb, ub)
909
+
910
+ if tr_options is None:
911
+ tr_options = {}
912
+
913
+ ###########################################################################
914
+ # assemble VectorFunction
915
+ ###########################################################################
916
+ # first wrap the args/kwargs
917
+ fun_wrapped = _WrapArgsKwargs(fun, args=args, kwargs=kwargs)
918
+ jac_wrapped = jac
919
+ if callable(jac):
920
+ jac_wrapped = _WrapArgsKwargs(jac, args=args, kwargs=kwargs)
921
+
922
+ def _dummy_hess(x, *args):
923
+ # we don't care about Hessian evaluations
924
+ return x
925
+
926
+ vector_fun = VectorFunction(
927
+ fun_wrapped,
928
+ x0,
929
+ jac_wrapped,
930
+ _dummy_hess,
931
+ finite_diff_rel_step=diff_step,
932
+ finite_diff_jac_sparsity=jac_sparsity,
933
+ finite_diff_bounds=bounds,
934
+ workers=workers
935
+ )
936
+ ###########################################################################
937
+
938
+ f0 = vector_fun.fun(x0)
939
+ J0 = vector_fun.jac(x0)
940
+
941
+ if f0.ndim != 1:
942
+ raise ValueError("`fun` must return at most 1-d array_like. "
943
+ f"f0.shape: {f0.shape}")
944
+
945
+ if not np.all(np.isfinite(f0)):
946
+ raise ValueError("Residuals are not finite in the initial point.")
947
+
948
+ n = x0.size
949
+ m = f0.size
950
+
951
+ if method == 'lm' and m < n:
952
+ raise ValueError("Method 'lm' doesn't work when the number of "
953
+ "residuals is less than the number of variables.")
954
+
955
+ loss_function = construct_loss_function(m, loss, f_scale)
956
+ if callable(loss):
957
+ rho = loss_function(f0)
958
+ if rho.shape != (3, m):
959
+ raise ValueError("The return value of `loss` callable has wrong "
960
+ "shape.")
961
+ initial_cost = 0.5 * np.sum(rho[0])
962
+ elif loss_function is not None:
963
+ initial_cost = loss_function(f0, cost_only=True)
964
+ else:
965
+ initial_cost = 0.5 * np.dot(f0, f0)
966
+
967
+ if not callable(jac):
968
+ # Estimate Jacobian by finite differences.
969
+ if method == 'lm':
970
+ if jac_sparsity is not None:
971
+ raise ValueError("method='lm' does not support "
972
+ "`jac_sparsity`.")
973
+ else:
974
+ # this will raise a ValueError if the jac_sparsity isn't correct
975
+ _ = check_jac_sparsity(jac_sparsity, m, n)
976
+
977
+ if jac_sparsity is not None and tr_solver == 'exact':
978
+ raise ValueError("tr_solver='exact' is incompatible "
979
+ "with `jac_sparsity`.")
980
+
981
+ if J0.shape != (m, n):
982
+ raise ValueError(
983
+ f"The return value of `jac` has wrong shape: expected {(m, n)}, "
984
+ f"actual {J0.shape}."
985
+ )
986
+
987
+ if not isinstance(J0, np.ndarray):
988
+ if method == 'lm':
989
+ raise ValueError("method='lm' works only with dense "
990
+ "Jacobian matrices.")
991
+
992
+ if tr_solver == 'exact':
993
+ raise ValueError(
994
+ "tr_solver='exact' works only with dense "
995
+ "Jacobian matrices.")
996
+
997
+ jac_scale = isinstance(x_scale, str) and x_scale == 'jac'
998
+ if isinstance(J0, LinearOperator) and jac_scale:
999
+ raise ValueError("x_scale='jac' can't be used when `jac` "
1000
+ "returns LinearOperator.")
1001
+
1002
+ if tr_solver is None:
1003
+ if isinstance(J0, np.ndarray):
1004
+ tr_solver = 'exact'
1005
+ else:
1006
+ tr_solver = 'lsmr'
1007
+
1008
+ # Wrap callback function. If callback is None, callback_wrapped also is None
1009
+ callback_wrapped = _wrap_callback(callback)
1010
+
1011
+ if method == 'lm':
1012
+ if callback is not None:
1013
+ warn("Callback function specified, but not supported with `lm` method.",
1014
+ stacklevel=2)
1015
+ result = call_minpack(vector_fun.fun, x0, vector_fun.jac, ftol, xtol, gtol,
1016
+ max_nfev, x_scale, jac_method=jac)
1017
+
1018
+ elif method == 'trf':
1019
+ result = trf(vector_fun.fun, vector_fun.jac, x0, f0, J0, lb, ub, ftol, xtol,
1020
+ gtol, max_nfev, x_scale, loss_function, tr_solver,
1021
+ tr_options.copy(), verbose, callback=callback_wrapped)
1022
+
1023
+ elif method == 'dogbox':
1024
+ if tr_solver == 'lsmr' and 'regularize' in tr_options:
1025
+ warn("The keyword 'regularize' in `tr_options` is not relevant "
1026
+ "for 'dogbox' method.",
1027
+ stacklevel=2)
1028
+ tr_options = tr_options.copy()
1029
+ del tr_options['regularize']
1030
+
1031
+ result = dogbox(vector_fun.fun, vector_fun.jac, x0, f0, J0, lb, ub, ftol,
1032
+ xtol, gtol, max_nfev, x_scale, loss_function,
1033
+ tr_solver, tr_options, verbose, callback=callback_wrapped)
1034
+
1035
+ result.message = TERMINATION_MESSAGES[result.status]
1036
+ result.success = result.status > 0
1037
+
1038
+ if verbose >= 1:
1039
+ print(result.message)
1040
+ print(f"Function evaluations {result.nfev}, initial cost {initial_cost:.4e}, "
1041
+ f"final cost {result.cost:.4e}, "
1042
+ f"first-order optimality {result.optimality:.2e}.")
1043
+
1044
+ return result