scipy 1.16.0rc1__cp313-cp313-macosx_10_14_x86_64.whl

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  1. f/344fyF/362/335(/371/226fF/256/225|+/224/223/252R/316hUk/257?/024/337/347/247/342G/375/001/271/356i/313}/306/313.X/322/327/v +0 -0
  2. scipy/.dylibs/libgcc_s.1.1.dylib +0 -0
  3. scipy/.dylibs/libgfortran.5.dylib +0 -0
  4. scipy/.dylibs/libquadmath.0.dylib +0 -0
  5. scipy/.dylibs/libscipy_openblas.dylib +0 -0
  6. scipy/__config__.py +161 -0
  7. scipy/__init__.py +138 -0
  8. scipy/_cyutility.cpython-313-darwin.so +0 -0
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  10. scipy/_lib/__init__.py +14 -0
  11. scipy/_lib/_array_api.py +931 -0
  12. scipy/_lib/_array_api_compat_vendor.py +9 -0
  13. scipy/_lib/_array_api_no_0d.py +103 -0
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  15. scipy/_lib/_ccallback.py +251 -0
  16. scipy/_lib/_ccallback_c.cpython-313-darwin.so +0 -0
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  29. scipy/_lib/_tmpdirs.py +86 -0
  30. scipy/_lib/_uarray/LICENSE +29 -0
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  32. scipy/_lib/_uarray/_backend.py +707 -0
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  34. scipy/_lib/_util.py +1276 -0
  35. scipy/_lib/array_api_compat/__init__.py +22 -0
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  37. scipy/_lib/array_api_compat/common/__init__.py +1 -0
  38. scipy/_lib/array_api_compat/common/_aliases.py +727 -0
  39. scipy/_lib/array_api_compat/common/_fft.py +213 -0
  40. scipy/_lib/array_api_compat/common/_helpers.py +1058 -0
  41. scipy/_lib/array_api_compat/common/_linalg.py +232 -0
  42. scipy/_lib/array_api_compat/common/_typing.py +192 -0
  43. scipy/_lib/array_api_compat/cupy/__init__.py +13 -0
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  47. scipy/_lib/array_api_compat/cupy/fft.py +36 -0
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@@ -0,0 +1,1200 @@
1
+ """
2
+ Unified interfaces to minimization algorithms.
3
+
4
+ Functions
5
+ ---------
6
+ - minimize : minimization of a function of several variables.
7
+ - minimize_scalar : minimization of a function of one variable.
8
+ """
9
+
10
+ __all__ = ['minimize', 'minimize_scalar']
11
+
12
+
13
+ import inspect
14
+ from warnings import warn
15
+
16
+ import numpy as np
17
+
18
+ # unconstrained minimization
19
+ from ._optimize import (_minimize_neldermead, _minimize_powell, _minimize_cg,
20
+ _minimize_bfgs, _minimize_newtoncg,
21
+ _minimize_scalar_brent, _minimize_scalar_bounded,
22
+ _minimize_scalar_golden, MemoizeJac, OptimizeResult,
23
+ _wrap_callback, _recover_from_bracket_error)
24
+ from ._trustregion_dogleg import _minimize_dogleg
25
+ from ._trustregion_ncg import _minimize_trust_ncg
26
+ from ._trustregion_krylov import _minimize_trust_krylov
27
+ from ._trustregion_exact import _minimize_trustregion_exact
28
+ from ._trustregion_constr import _minimize_trustregion_constr
29
+
30
+ # constrained minimization
31
+ from ._lbfgsb_py import _minimize_lbfgsb
32
+ from ._tnc import _minimize_tnc
33
+ from ._cobyla_py import _minimize_cobyla
34
+ from ._cobyqa_py import _minimize_cobyqa
35
+ from ._slsqp_py import _minimize_slsqp
36
+ from ._constraints import (old_bound_to_new, new_bounds_to_old,
37
+ old_constraint_to_new, new_constraint_to_old,
38
+ NonlinearConstraint, LinearConstraint, Bounds,
39
+ PreparedConstraint)
40
+ from ._differentiable_functions import FD_METHODS
41
+
42
+ MINIMIZE_METHODS = ['nelder-mead', 'powell', 'cg', 'bfgs', 'newton-cg',
43
+ 'l-bfgs-b', 'tnc', 'cobyla', 'cobyqa', 'slsqp',
44
+ 'trust-constr', 'dogleg', 'trust-ncg', 'trust-exact',
45
+ 'trust-krylov']
46
+
47
+ # These methods support the new callback interface (passed an OptimizeResult)
48
+ MINIMIZE_METHODS_NEW_CB = ['nelder-mead', 'powell', 'cg', 'bfgs', 'newton-cg',
49
+ 'l-bfgs-b', 'trust-constr', 'dogleg', 'trust-ncg',
50
+ 'trust-exact', 'trust-krylov', 'cobyqa', 'cobyla']
51
+
52
+ MINIMIZE_SCALAR_METHODS = ['brent', 'bounded', 'golden']
53
+
54
+ def minimize(fun, x0, args=(), method=None, jac=None, hess=None,
55
+ hessp=None, bounds=None, constraints=(), tol=None,
56
+ callback=None, options=None):
57
+ """Minimization of scalar function of one or more variables.
58
+
59
+ Parameters
60
+ ----------
61
+ fun : callable
62
+ The objective function to be minimized::
63
+
64
+ fun(x, *args) -> float
65
+
66
+ where ``x`` is a 1-D array with shape (n,) and ``args``
67
+ is a tuple of the fixed parameters needed to completely
68
+ specify the function.
69
+
70
+ Suppose the callable has signature ``f0(x, *my_args, **my_kwargs)``, where
71
+ ``my_args`` and ``my_kwargs`` are required positional and keyword arguments.
72
+ Rather than passing ``f0`` as the callable, wrap it to accept
73
+ only ``x``; e.g., pass ``fun=lambda x: f0(x, *my_args, **my_kwargs)`` as the
74
+ callable, where ``my_args`` (tuple) and ``my_kwargs`` (dict) have been
75
+ gathered before invoking this function.
76
+ x0 : ndarray, shape (n,)
77
+ Initial guess. Array of real elements of size (n,),
78
+ where ``n`` is the number of independent variables.
79
+ args : tuple, optional
80
+ Extra arguments passed to the objective function and its
81
+ derivatives (`fun`, `jac` and `hess` functions).
82
+ method : str or callable, optional
83
+ Type of solver. Should be one of
84
+
85
+ - 'Nelder-Mead' :ref:`(see here) <optimize.minimize-neldermead>`
86
+ - 'Powell' :ref:`(see here) <optimize.minimize-powell>`
87
+ - 'CG' :ref:`(see here) <optimize.minimize-cg>`
88
+ - 'BFGS' :ref:`(see here) <optimize.minimize-bfgs>`
89
+ - 'Newton-CG' :ref:`(see here) <optimize.minimize-newtoncg>`
90
+ - 'L-BFGS-B' :ref:`(see here) <optimize.minimize-lbfgsb>`
91
+ - 'TNC' :ref:`(see here) <optimize.minimize-tnc>`
92
+ - 'COBYLA' :ref:`(see here) <optimize.minimize-cobyla>`
93
+ - 'COBYQA' :ref:`(see here) <optimize.minimize-cobyqa>`
94
+ - 'SLSQP' :ref:`(see here) <optimize.minimize-slsqp>`
95
+ - 'trust-constr':ref:`(see here) <optimize.minimize-trustconstr>`
96
+ - 'dogleg' :ref:`(see here) <optimize.minimize-dogleg>`
97
+ - 'trust-ncg' :ref:`(see here) <optimize.minimize-trustncg>`
98
+ - 'trust-exact' :ref:`(see here) <optimize.minimize-trustexact>`
99
+ - 'trust-krylov' :ref:`(see here) <optimize.minimize-trustkrylov>`
100
+ - custom - a callable object, see below for description.
101
+
102
+ If not given, chosen to be one of ``BFGS``, ``L-BFGS-B``, ``SLSQP``,
103
+ depending on whether or not the problem has constraints or bounds.
104
+ jac : {callable, '2-point', '3-point', 'cs', bool}, optional
105
+ Method for computing the gradient vector. Only for CG, BFGS,
106
+ Newton-CG, L-BFGS-B, TNC, SLSQP, dogleg, trust-ncg, trust-krylov,
107
+ trust-exact and trust-constr.
108
+ If it is a callable, it should be a function that returns the gradient
109
+ vector::
110
+
111
+ jac(x, *args) -> array_like, shape (n,)
112
+
113
+ where ``x`` is an array with shape (n,) and ``args`` is a tuple with
114
+ the fixed parameters. If `jac` is a Boolean and is True, `fun` is
115
+ assumed to return a tuple ``(f, g)`` containing the objective
116
+ function and the gradient.
117
+ Methods 'Newton-CG', 'trust-ncg', 'dogleg', 'trust-exact', and
118
+ 'trust-krylov' require that either a callable be supplied, or that
119
+ `fun` return the objective and gradient.
120
+ If None or False, the gradient will be estimated using 2-point finite
121
+ difference estimation with an absolute step size.
122
+ Alternatively, the keywords {'2-point', '3-point', 'cs'} can be used
123
+ to select a finite difference scheme for numerical estimation of the
124
+ gradient with a relative step size. These finite difference schemes
125
+ obey any specified `bounds`.
126
+ hess : {callable, '2-point', '3-point', 'cs', HessianUpdateStrategy}, optional
127
+ Method for computing the Hessian matrix. Only for Newton-CG, dogleg,
128
+ trust-ncg, trust-krylov, trust-exact and trust-constr.
129
+ If it is callable, it should return the Hessian matrix::
130
+
131
+ hess(x, *args) -> {LinearOperator, spmatrix, array}, (n, n)
132
+
133
+ where ``x`` is a (n,) ndarray and ``args`` is a tuple with the fixed
134
+ parameters.
135
+ The keywords {'2-point', '3-point', 'cs'} can also be used to select
136
+ a finite difference scheme for numerical estimation of the hessian.
137
+ Alternatively, objects implementing the `HessianUpdateStrategy`
138
+ interface can be used to approximate the Hessian. Available
139
+ quasi-Newton methods implementing this interface are:
140
+
141
+ - `BFGS`
142
+ - `SR1`
143
+
144
+ Not all of the options are available for each of the methods; for
145
+ availability refer to the notes.
146
+ hessp : callable, optional
147
+ Hessian of objective function times an arbitrary vector p. Only for
148
+ Newton-CG, trust-ncg, trust-krylov, trust-constr.
149
+ Only one of `hessp` or `hess` needs to be given. If `hess` is
150
+ provided, then `hessp` will be ignored. `hessp` must compute the
151
+ Hessian times an arbitrary vector::
152
+
153
+ hessp(x, p, *args) -> ndarray shape (n,)
154
+
155
+ where ``x`` is a (n,) ndarray, ``p`` is an arbitrary vector with
156
+ dimension (n,) and ``args`` is a tuple with the fixed
157
+ parameters.
158
+ bounds : sequence or `Bounds`, optional
159
+ Bounds on variables for Nelder-Mead, L-BFGS-B, TNC, SLSQP, Powell,
160
+ trust-constr, COBYLA, and COBYQA methods. There are two ways to specify
161
+ the bounds:
162
+
163
+ 1. Instance of `Bounds` class.
164
+ 2. Sequence of ``(min, max)`` pairs for each element in `x`. None
165
+ is used to specify no bound.
166
+
167
+ constraints : {Constraint, dict} or List of {Constraint, dict}, optional
168
+ Constraints definition. Only for COBYLA, COBYQA, SLSQP and trust-constr.
169
+
170
+ Constraints for 'trust-constr', 'cobyqa', and 'cobyla' are defined as a single
171
+ object or a list of objects specifying constraints to the optimization problem.
172
+ Available constraints are:
173
+
174
+ - `LinearConstraint`
175
+ - `NonlinearConstraint`
176
+
177
+ Constraints for COBYLA, SLSQP are defined as a list of dictionaries.
178
+ Each dictionary with fields:
179
+
180
+ type : str
181
+ Constraint type: 'eq' for equality, 'ineq' for inequality.
182
+ fun : callable
183
+ The function defining the constraint.
184
+ jac : callable, optional
185
+ The Jacobian of `fun` (only for SLSQP).
186
+ args : sequence, optional
187
+ Extra arguments to be passed to the function and Jacobian.
188
+
189
+ Equality constraint means that the constraint function result is to
190
+ be zero whereas inequality means that it is to be non-negative.
191
+ Note that COBYLA only supports inequality constraints.
192
+
193
+ tol : float, optional
194
+ Tolerance for termination. When `tol` is specified, the selected
195
+ minimization algorithm sets some relevant solver-specific tolerance(s)
196
+ equal to `tol`. For detailed control, use solver-specific
197
+ options.
198
+ options : dict, optional
199
+ A dictionary of solver options. All methods except `TNC` accept the
200
+ following generic options:
201
+
202
+ maxiter : int
203
+ Maximum number of iterations to perform. Depending on the
204
+ method each iteration may use several function evaluations.
205
+
206
+ For `TNC` use `maxfun` instead of `maxiter`.
207
+ disp : bool
208
+ Set to True to print convergence messages.
209
+
210
+ For method-specific options, see :func:`show_options()`.
211
+ callback : callable, optional
212
+ A callable called after each iteration.
213
+
214
+ All methods except TNC and SLSQP support a callable with
215
+ the signature::
216
+
217
+ callback(intermediate_result: OptimizeResult)
218
+
219
+ where ``intermediate_result`` is a keyword parameter containing an
220
+ `OptimizeResult` with attributes ``x`` and ``fun``, the present values
221
+ of the parameter vector and objective function. Not all attributes of
222
+ `OptimizeResult` may be present. The name of the parameter must be
223
+ ``intermediate_result`` for the callback to be passed an `OptimizeResult`.
224
+ These methods will also terminate if the callback raises ``StopIteration``.
225
+
226
+ All methods except trust-constr (also) support a signature like::
227
+
228
+ callback(xk)
229
+
230
+ where ``xk`` is the current parameter vector.
231
+
232
+ Introspection is used to determine which of the signatures above to
233
+ invoke.
234
+
235
+ Returns
236
+ -------
237
+ res : OptimizeResult
238
+ The optimization result represented as a ``OptimizeResult`` object.
239
+ Important attributes are: ``x`` the solution array, ``success`` a
240
+ Boolean flag indicating if the optimizer exited successfully and
241
+ ``message`` which describes the cause of the termination. See
242
+ `OptimizeResult` for a description of other attributes.
243
+
244
+ See also
245
+ --------
246
+ minimize_scalar : Interface to minimization algorithms for scalar
247
+ univariate functions
248
+ show_options : Additional options accepted by the solvers
249
+
250
+ Notes
251
+ -----
252
+ This section describes the available solvers that can be selected by the
253
+ 'method' parameter. The default method is *BFGS*.
254
+
255
+ **Unconstrained minimization**
256
+
257
+ Method :ref:`CG <optimize.minimize-cg>` uses a nonlinear conjugate
258
+ gradient algorithm by Polak and Ribiere, a variant of the
259
+ Fletcher-Reeves method described in [5]_ pp.120-122. Only the
260
+ first derivatives are used.
261
+
262
+ Method :ref:`BFGS <optimize.minimize-bfgs>` uses the quasi-Newton
263
+ method of Broyden, Fletcher, Goldfarb, and Shanno (BFGS) [5]_
264
+ pp. 136. It uses the first derivatives only. BFGS has proven good
265
+ performance even for non-smooth optimizations. This method also
266
+ returns an approximation of the Hessian inverse, stored as
267
+ `hess_inv` in the OptimizeResult object.
268
+
269
+ Method :ref:`Newton-CG <optimize.minimize-newtoncg>` uses a
270
+ Newton-CG algorithm [5]_ pp. 168 (also known as the truncated
271
+ Newton method). It uses a CG method to the compute the search
272
+ direction. See also *TNC* method for a box-constrained
273
+ minimization with a similar algorithm. Suitable for large-scale
274
+ problems.
275
+
276
+ Method :ref:`dogleg <optimize.minimize-dogleg>` uses the dog-leg
277
+ trust-region algorithm [5]_ for unconstrained minimization. This
278
+ algorithm requires the gradient and Hessian; furthermore the
279
+ Hessian is required to be positive definite.
280
+
281
+ Method :ref:`trust-ncg <optimize.minimize-trustncg>` uses the
282
+ Newton conjugate gradient trust-region algorithm [5]_ for
283
+ unconstrained minimization. This algorithm requires the gradient
284
+ and either the Hessian or a function that computes the product of
285
+ the Hessian with a given vector. Suitable for large-scale problems.
286
+
287
+ Method :ref:`trust-krylov <optimize.minimize-trustkrylov>` uses
288
+ the Newton GLTR trust-region algorithm [14]_, [15]_ for unconstrained
289
+ minimization. This algorithm requires the gradient
290
+ and either the Hessian or a function that computes the product of
291
+ the Hessian with a given vector. Suitable for large-scale problems.
292
+ On indefinite problems it requires usually less iterations than the
293
+ `trust-ncg` method and is recommended for medium and large-scale problems.
294
+
295
+ Method :ref:`trust-exact <optimize.minimize-trustexact>`
296
+ is a trust-region method for unconstrained minimization in which
297
+ quadratic subproblems are solved almost exactly [13]_. This
298
+ algorithm requires the gradient and the Hessian (which is
299
+ *not* required to be positive definite). It is, in many
300
+ situations, the Newton method to converge in fewer iterations
301
+ and the most recommended for small and medium-size problems.
302
+
303
+ **Bound-Constrained minimization**
304
+
305
+ Method :ref:`Nelder-Mead <optimize.minimize-neldermead>` uses the
306
+ Simplex algorithm [1]_, [2]_. This algorithm is robust in many
307
+ applications. However, if numerical computation of derivative can be
308
+ trusted, other algorithms using the first and/or second derivatives
309
+ information might be preferred for their better performance in
310
+ general.
311
+
312
+ Method :ref:`L-BFGS-B <optimize.minimize-lbfgsb>` uses the L-BFGS-B
313
+ algorithm [6]_, [7]_ for bound constrained minimization.
314
+
315
+ Method :ref:`Powell <optimize.minimize-powell>` is a modification
316
+ of Powell's method [3]_, [4]_ which is a conjugate direction
317
+ method. It performs sequential one-dimensional minimizations along
318
+ each vector of the directions set (`direc` field in `options` and
319
+ `info`), which is updated at each iteration of the main
320
+ minimization loop. The function need not be differentiable, and no
321
+ derivatives are taken. If bounds are not provided, then an
322
+ unbounded line search will be used. If bounds are provided and
323
+ the initial guess is within the bounds, then every function
324
+ evaluation throughout the minimization procedure will be within
325
+ the bounds. If bounds are provided, the initial guess is outside
326
+ the bounds, and `direc` is full rank (default has full rank), then
327
+ some function evaluations during the first iteration may be
328
+ outside the bounds, but every function evaluation after the first
329
+ iteration will be within the bounds. If `direc` is not full rank,
330
+ then some parameters may not be optimized and the solution is not
331
+ guaranteed to be within the bounds.
332
+
333
+ Method :ref:`TNC <optimize.minimize-tnc>` uses a truncated Newton
334
+ algorithm [5]_, [8]_ to minimize a function with variables subject
335
+ to bounds. This algorithm uses gradient information; it is also
336
+ called Newton Conjugate-Gradient. It differs from the *Newton-CG*
337
+ method described above as it wraps a C implementation and allows
338
+ each variable to be given upper and lower bounds.
339
+
340
+ **Constrained Minimization**
341
+
342
+ Method :ref:`COBYLA <optimize.minimize-cobyla>` uses the PRIMA
343
+ implementation [19]_ of the
344
+ Constrained Optimization BY Linear Approximation (COBYLA) method
345
+ [9]_, [10]_, [11]_. The algorithm is based on linear
346
+ approximations to the objective function and each constraint.
347
+
348
+ Method :ref:`COBYQA <optimize.minimize-cobyqa>` uses the Constrained
349
+ Optimization BY Quadratic Approximations (COBYQA) method [18]_. The
350
+ algorithm is a derivative-free trust-region SQP method based on quadratic
351
+ approximations to the objective function and each nonlinear constraint. The
352
+ bounds are treated as unrelaxable constraints, in the sense that the
353
+ algorithm always respects them throughout the optimization process.
354
+
355
+ Method :ref:`SLSQP <optimize.minimize-slsqp>` uses Sequential
356
+ Least SQuares Programming to minimize a function of several
357
+ variables with any combination of bounds, equality and inequality
358
+ constraints. The method wraps the SLSQP Optimization subroutine
359
+ originally implemented by Dieter Kraft [12]_. Note that the
360
+ wrapper handles infinite values in bounds by converting them into
361
+ large floating values.
362
+
363
+ Method :ref:`trust-constr <optimize.minimize-trustconstr>` is a
364
+ trust-region algorithm for constrained optimization. It switches
365
+ between two implementations depending on the problem definition.
366
+ It is the most versatile constrained minimization algorithm
367
+ implemented in SciPy and the most appropriate for large-scale problems.
368
+ For equality constrained problems it is an implementation of Byrd-Omojokun
369
+ Trust-Region SQP method described in [17]_ and in [5]_, p. 549. When
370
+ inequality constraints are imposed as well, it switches to the trust-region
371
+ interior point method described in [16]_. This interior point algorithm,
372
+ in turn, solves inequality constraints by introducing slack variables
373
+ and solving a sequence of equality-constrained barrier problems
374
+ for progressively smaller values of the barrier parameter.
375
+ The previously described equality constrained SQP method is
376
+ used to solve the subproblems with increasing levels of accuracy
377
+ as the iterate gets closer to a solution.
378
+
379
+ **Finite-Difference Options**
380
+
381
+ For Method :ref:`trust-constr <optimize.minimize-trustconstr>`
382
+ the gradient and the Hessian may be approximated using
383
+ three finite-difference schemes: {'2-point', '3-point', 'cs'}.
384
+ The scheme 'cs' is, potentially, the most accurate but it
385
+ requires the function to correctly handle complex inputs and to
386
+ be differentiable in the complex plane. The scheme '3-point' is more
387
+ accurate than '2-point' but requires twice as many operations. If the
388
+ gradient is estimated via finite-differences the Hessian must be
389
+ estimated using one of the quasi-Newton strategies.
390
+
391
+ **Method specific options for the** `hess` **keyword**
392
+
393
+ +--------------+------+----------+-------------------------+-----+
394
+ | method/Hess | None | callable | '2-point/'3-point'/'cs' | HUS |
395
+ +==============+======+==========+=========================+=====+
396
+ | Newton-CG | x | (n, n) | x | x |
397
+ | | | LO | | |
398
+ +--------------+------+----------+-------------------------+-----+
399
+ | dogleg | | (n, n) | | |
400
+ +--------------+------+----------+-------------------------+-----+
401
+ | trust-ncg | | (n, n) | x | x |
402
+ +--------------+------+----------+-------------------------+-----+
403
+ | trust-krylov | | (n, n) | x | x |
404
+ +--------------+------+----------+-------------------------+-----+
405
+ | trust-exact | | (n, n) | | |
406
+ +--------------+------+----------+-------------------------+-----+
407
+ | trust-constr | x | (n, n) | x | x |
408
+ | | | LO | | |
409
+ | | | sp | | |
410
+ +--------------+------+----------+-------------------------+-----+
411
+
412
+ where LO=LinearOperator, sp=Sparse matrix, HUS=HessianUpdateStrategy
413
+
414
+ **Custom minimizers**
415
+
416
+ It may be useful to pass a custom minimization method, for example
417
+ when using a frontend to this method such as `scipy.optimize.basinhopping`
418
+ or a different library. You can simply pass a callable as the ``method``
419
+ parameter.
420
+
421
+ The callable is called as ``method(fun, x0, args, **kwargs, **options)``
422
+ where ``kwargs`` corresponds to any other parameters passed to `minimize`
423
+ (such as `callback`, `hess`, etc.), except the `options` dict, which has
424
+ its contents also passed as `method` parameters pair by pair. Also, if
425
+ `jac` has been passed as a bool type, `jac` and `fun` are mangled so that
426
+ `fun` returns just the function values and `jac` is converted to a function
427
+ returning the Jacobian. The method shall return an `OptimizeResult`
428
+ object.
429
+
430
+ The provided `method` callable must be able to accept (and possibly ignore)
431
+ arbitrary parameters; the set of parameters accepted by `minimize` may
432
+ expand in future versions and then these parameters will be passed to
433
+ the method. You can find an example in the scipy.optimize tutorial.
434
+
435
+ References
436
+ ----------
437
+ .. [1] Nelder, J A, and R Mead. 1965. A Simplex Method for Function
438
+ Minimization. The Computer Journal 7: 308-13.
439
+ .. [2] Wright M H. 1996. Direct search methods: Once scorned, now
440
+ respectable, in Numerical Analysis 1995: Proceedings of the 1995
441
+ Dundee Biennial Conference in Numerical Analysis (Eds. D F
442
+ Griffiths and G A Watson). Addison Wesley Longman, Harlow, UK.
443
+ 191-208.
444
+ .. [3] Powell, M J D. 1964. An efficient method for finding the minimum of
445
+ a function of several variables without calculating derivatives. The
446
+ Computer Journal 7: 155-162.
447
+ .. [4] Press W, S A Teukolsky, W T Vetterling and B P Flannery.
448
+ Numerical Recipes (any edition), Cambridge University Press.
449
+ .. [5] Nocedal, J, and S J Wright. 2006. Numerical Optimization.
450
+ Springer New York.
451
+ .. [6] Byrd, R H and P Lu and J. Nocedal. 1995. A Limited Memory
452
+ Algorithm for Bound Constrained Optimization. SIAM Journal on
453
+ Scientific and Statistical Computing 16 (5): 1190-1208.
454
+ .. [7] Zhu, C and R H Byrd and J Nocedal. 1997. L-BFGS-B: Algorithm
455
+ 778: L-BFGS-B, FORTRAN routines for large scale bound constrained
456
+ optimization. ACM Transactions on Mathematical Software 23 (4):
457
+ 550-560.
458
+ .. [8] Nash, S G. Newton-Type Minimization Via the Lanczos Method.
459
+ 1984. SIAM Journal of Numerical Analysis 21: 770-778.
460
+ .. [9] Powell, M J D. A direct search optimization method that models
461
+ the objective and constraint functions by linear interpolation.
462
+ 1994. Advances in Optimization and Numerical Analysis, eds. S. Gomez
463
+ and J-P Hennart, Kluwer Academic (Dordrecht), 51-67.
464
+ .. [10] Powell M J D. Direct search algorithms for optimization
465
+ calculations. 1998. Acta Numerica 7: 287-336.
466
+ .. [11] Powell M J D. A view of algorithms for optimization without
467
+ derivatives. 2007.Cambridge University Technical Report DAMTP
468
+ 2007/NA03
469
+ .. [12] Kraft, D. A software package for sequential quadratic
470
+ programming. 1988. Tech. Rep. DFVLR-FB 88-28, DLR German Aerospace
471
+ Center -- Institute for Flight Mechanics, Koln, Germany.
472
+ .. [13] Conn, A. R., Gould, N. I., and Toint, P. L.
473
+ Trust region methods. 2000. Siam. pp. 169-200.
474
+ .. [14] F. Lenders, C. Kirches, A. Potschka: "trlib: A vector-free
475
+ implementation of the GLTR method for iterative solution of
476
+ the trust region problem", :arxiv:`1611.04718`
477
+ .. [15] N. Gould, S. Lucidi, M. Roma, P. Toint: "Solving the
478
+ Trust-Region Subproblem using the Lanczos Method",
479
+ SIAM J. Optim., 9(2), 504--525, (1999).
480
+ .. [16] Byrd, Richard H., Mary E. Hribar, and Jorge Nocedal. 1999.
481
+ An interior point algorithm for large-scale nonlinear programming.
482
+ SIAM Journal on Optimization 9.4: 877-900.
483
+ .. [17] Lalee, Marucha, Jorge Nocedal, and Todd Plantenga. 1998. On the
484
+ implementation of an algorithm for large-scale equality constrained
485
+ optimization. SIAM Journal on Optimization 8.3: 682-706.
486
+ .. [18] Ragonneau, T. M. *Model-Based Derivative-Free Optimization Methods
487
+ and Software*. PhD thesis, Department of Applied Mathematics, The Hong
488
+ Kong Polytechnic University, Hong Kong, China, 2022. URL:
489
+ https://theses.lib.polyu.edu.hk/handle/200/12294.
490
+ .. [19] Zhang, Z. "PRIMA: Reference Implementation for Powell's Methods with
491
+ Modernization and Amelioration", https://www.libprima.net,
492
+ :doi:`10.5281/zenodo.8052654`
493
+ .. [20] Karush-Kuhn-Tucker conditions,
494
+ https://en.wikipedia.org/wiki/Karush%E2%80%93Kuhn%E2%80%93Tucker_conditions
495
+
496
+ Examples
497
+ --------
498
+ Let us consider the problem of minimizing the Rosenbrock function. This
499
+ function (and its respective derivatives) is implemented in `rosen`
500
+ (resp. `rosen_der`, `rosen_hess`) in the `scipy.optimize`.
501
+
502
+ >>> from scipy.optimize import minimize, rosen, rosen_der
503
+
504
+ A simple application of the *Nelder-Mead* method is:
505
+
506
+ >>> x0 = [1.3, 0.7, 0.8, 1.9, 1.2]
507
+ >>> res = minimize(rosen, x0, method='Nelder-Mead', tol=1e-6)
508
+ >>> res.x
509
+ array([ 1., 1., 1., 1., 1.])
510
+
511
+ Now using the *BFGS* algorithm, using the first derivative and a few
512
+ options:
513
+
514
+ >>> res = minimize(rosen, x0, method='BFGS', jac=rosen_der,
515
+ ... options={'gtol': 1e-6, 'disp': True})
516
+ Optimization terminated successfully.
517
+ Current function value: 0.000000
518
+ Iterations: 26
519
+ Function evaluations: 31
520
+ Gradient evaluations: 31
521
+ >>> res.x
522
+ array([ 1., 1., 1., 1., 1.])
523
+ >>> print(res.message)
524
+ Optimization terminated successfully.
525
+ >>> res.hess_inv
526
+ array([
527
+ [ 0.00749589, 0.01255155, 0.02396251, 0.04750988, 0.09495377], # may vary
528
+ [ 0.01255155, 0.02510441, 0.04794055, 0.09502834, 0.18996269],
529
+ [ 0.02396251, 0.04794055, 0.09631614, 0.19092151, 0.38165151],
530
+ [ 0.04750988, 0.09502834, 0.19092151, 0.38341252, 0.7664427 ],
531
+ [ 0.09495377, 0.18996269, 0.38165151, 0.7664427, 1.53713523]
532
+ ])
533
+
534
+ Next, consider a minimization problem with several constraints (namely
535
+ Example 16.4 from [5]_). The objective function is:
536
+
537
+ >>> fun = lambda x: (x[0] - 1)**2 + (x[1] - 2.5)**2
538
+
539
+ There are three constraints defined as:
540
+
541
+ >>> cons = ({'type': 'ineq', 'fun': lambda x: x[0] - 2 * x[1] + 2},
542
+ ... {'type': 'ineq', 'fun': lambda x: -x[0] - 2 * x[1] + 6},
543
+ ... {'type': 'ineq', 'fun': lambda x: -x[0] + 2 * x[1] + 2})
544
+
545
+ And variables must be positive, hence the following bounds:
546
+
547
+ >>> bnds = ((0, None), (0, None))
548
+
549
+ The optimization problem is solved using the SLSQP method as:
550
+
551
+ >>> res = minimize(fun, (2, 0), method='SLSQP', bounds=bnds, constraints=cons)
552
+
553
+ It should converge to the theoretical solution ``[1.4 ,1.7]``. *SLSQP* also
554
+ returns the multipliers that are used in the solution of the problem. These
555
+ multipliers, when the problem constraints are linear, can be thought of as the
556
+ Karush-Kuhn-Tucker (KKT) multipliers, which are a generalization
557
+ of Lagrange multipliers to inequality-constrained optimization problems ([20]_).
558
+
559
+ Notice that at the solution, the first constraint is active. Let's evaluate the
560
+ function at solution:
561
+
562
+ >>> cons[0]['fun'](res.x)
563
+ np.float64(1.4901224698604665e-09)
564
+
565
+ Also, notice that at optimality there is a non-zero multiplier:
566
+
567
+ >>> res.multipliers
568
+ array([0.8, 0. , 0. ])
569
+
570
+ This can be understood as the local sensitivity of the optimal value of the
571
+ objective function with respect to changes in the first constraint. If we
572
+ tighten the constraint by a small amount ``eps``:
573
+
574
+ >>> eps = 0.01
575
+ >>> cons[0]['fun'] = lambda x: x[0] - 2 * x[1] + 2 - eps
576
+
577
+ we expect the optimal value of the objective function to increase by
578
+ approximately ``eps * res.multipliers[0]``:
579
+
580
+ >>> eps * res.multipliers[0] # Expected change in f0
581
+ np.float64(0.008000000027153205)
582
+ >>> f0 = res.fun # Keep track of the previous optimal value
583
+ >>> res = minimize(fun, (2, 0), method='SLSQP', bounds=bnds, constraints=cons)
584
+ >>> f1 = res.fun # New optimal value
585
+ >>> f1 - f0
586
+ np.float64(0.008019998807885509)
587
+
588
+ """
589
+ x0 = np.atleast_1d(np.asarray(x0))
590
+
591
+ if x0.ndim != 1:
592
+ raise ValueError("'x0' must only have one dimension.")
593
+
594
+ if x0.dtype.kind in np.typecodes["AllInteger"]:
595
+ x0 = np.asarray(x0, dtype=float)
596
+
597
+ if not isinstance(args, tuple):
598
+ args = (args,)
599
+
600
+ if method is None:
601
+ # Select automatically
602
+ if constraints:
603
+ method = 'SLSQP'
604
+ elif bounds is not None:
605
+ method = 'L-BFGS-B'
606
+ else:
607
+ method = 'BFGS'
608
+
609
+ if callable(method):
610
+ meth = "_custom"
611
+ else:
612
+ meth = method.lower()
613
+
614
+ if options is None:
615
+ options = {}
616
+ # check if optional parameters are supported by the selected method
617
+ # - jac
618
+ if meth in ('nelder-mead', 'powell', 'cobyla', 'cobyqa') and bool(jac):
619
+ warn(f'Method {method} does not use gradient information (jac).',
620
+ RuntimeWarning, stacklevel=2)
621
+ # - hess
622
+ if meth not in ('newton-cg', 'dogleg', 'trust-ncg', 'trust-constr',
623
+ 'trust-krylov', 'trust-exact', '_custom') and hess is not None:
624
+ warn(f'Method {method} does not use Hessian information (hess).',
625
+ RuntimeWarning, stacklevel=2)
626
+ # - hessp
627
+ if meth not in ('newton-cg', 'trust-ncg', 'trust-constr',
628
+ 'trust-krylov', '_custom') \
629
+ and hessp is not None:
630
+ warn(f'Method {method} does not use Hessian-vector product'
631
+ ' information (hessp).',
632
+ RuntimeWarning, stacklevel=2)
633
+ # - constraints or bounds
634
+ if (meth not in ('cobyla', 'cobyqa', 'slsqp', 'trust-constr', '_custom') and
635
+ np.any(constraints)):
636
+ warn(f'Method {method} cannot handle constraints.',
637
+ RuntimeWarning, stacklevel=2)
638
+ if meth not in (
639
+ 'nelder-mead', 'powell', 'l-bfgs-b', 'cobyla', 'cobyqa', 'slsqp',
640
+ 'tnc', 'trust-constr', '_custom') and bounds is not None:
641
+ warn(f'Method {method} cannot handle bounds.',
642
+ RuntimeWarning, stacklevel=2)
643
+ # - return_all
644
+ if (meth in ('l-bfgs-b', 'tnc', 'cobyla', 'cobyqa', 'slsqp') and
645
+ options.get('return_all', False)):
646
+ warn(f'Method {method} does not support the return_all option.',
647
+ RuntimeWarning, stacklevel=2)
648
+
649
+ # check gradient vector
650
+ if callable(jac):
651
+ pass
652
+ elif jac is True:
653
+ # fun returns func and grad
654
+ fun = MemoizeJac(fun)
655
+ jac = fun.derivative
656
+ elif (jac in FD_METHODS and
657
+ meth in ['trust-constr', 'bfgs', 'cg', 'l-bfgs-b', 'tnc', 'slsqp']):
658
+ # finite differences with relative step
659
+ pass
660
+ elif meth in ['trust-constr']:
661
+ # default jac calculation for this method
662
+ jac = '2-point'
663
+ elif jac is None or bool(jac) is False:
664
+ # this will cause e.g. LBFGS to use forward difference, absolute step
665
+ jac = None
666
+ else:
667
+ # default if jac option is not understood
668
+ jac = None
669
+
670
+ # set default tolerances
671
+ if tol is not None:
672
+ options = dict(options)
673
+ if meth == 'nelder-mead':
674
+ options.setdefault('xatol', tol)
675
+ options.setdefault('fatol', tol)
676
+ if meth in ('newton-cg', 'powell', 'tnc'):
677
+ options.setdefault('xtol', tol)
678
+ if meth in ('powell', 'l-bfgs-b', 'tnc', 'slsqp'):
679
+ options.setdefault('ftol', tol)
680
+ if meth in ('bfgs', 'cg', 'l-bfgs-b', 'tnc', 'dogleg',
681
+ 'trust-ncg', 'trust-exact', 'trust-krylov'):
682
+ options.setdefault('gtol', tol)
683
+ if meth in ('cobyla', '_custom'):
684
+ options.setdefault('tol', tol)
685
+ if meth == 'cobyqa':
686
+ options.setdefault('final_tr_radius', tol)
687
+ if meth == 'trust-constr':
688
+ options.setdefault('xtol', tol)
689
+ options.setdefault('gtol', tol)
690
+ options.setdefault('barrier_tol', tol)
691
+
692
+ if meth == '_custom':
693
+ # custom method called before bounds and constraints are 'standardised'
694
+ # custom method should be able to accept whatever bounds/constraints
695
+ # are provided to it.
696
+ return method(fun, x0, args=args, jac=jac, hess=hess, hessp=hessp,
697
+ bounds=bounds, constraints=constraints,
698
+ callback=callback, **options)
699
+
700
+ constraints = standardize_constraints(constraints, x0, meth)
701
+
702
+ remove_vars = False
703
+ if bounds is not None:
704
+ # convert to new-style bounds so we only have to consider one case
705
+ bounds = standardize_bounds(bounds, x0, 'new')
706
+ bounds = _validate_bounds(bounds, x0, meth)
707
+
708
+ if meth in {"tnc", "slsqp", "l-bfgs-b"}:
709
+ # These methods can't take the finite-difference derivatives they
710
+ # need when a variable is fixed by the bounds. To avoid this issue,
711
+ # remove fixed variables from the problem.
712
+ # NOTE: if this list is expanded, then be sure to update the
713
+ # accompanying tests and test_optimize.eb_data. Consider also if
714
+ # default OptimizeResult will need updating.
715
+
716
+ # determine whether any variables are fixed
717
+ i_fixed = (bounds.lb == bounds.ub)
718
+
719
+ if np.all(i_fixed):
720
+ # all the parameters are fixed, a minimizer is not able to do
721
+ # anything
722
+ return _optimize_result_for_equal_bounds(
723
+ fun, bounds, meth, args=args, constraints=constraints
724
+ )
725
+
726
+ # determine whether finite differences are needed for any grad/jac
727
+ fd_needed = (not callable(jac))
728
+ for con in constraints:
729
+ if not callable(con.get('jac', None)):
730
+ fd_needed = True
731
+
732
+ # If finite differences are ever used, remove all fixed variables
733
+ # Always remove fixed variables for TNC; see gh-14565
734
+ remove_vars = i_fixed.any() and (fd_needed or meth == "tnc")
735
+ if remove_vars:
736
+ x_fixed = (bounds.lb)[i_fixed]
737
+ x0 = x0[~i_fixed]
738
+ bounds = _remove_from_bounds(bounds, i_fixed)
739
+ fun = _Remove_From_Func(fun, i_fixed, x_fixed)
740
+
741
+ if callable(callback):
742
+ sig = inspect.signature(callback)
743
+ if set(sig.parameters) == {'intermediate_result'}:
744
+ # callback(intermediate_result)
745
+ print(callback)
746
+ callback = _Patch_Callback_Equal_Variables(
747
+ callback, i_fixed, x_fixed
748
+ )
749
+ else:
750
+ # callback(x)
751
+ callback = _Remove_From_Func(callback, i_fixed, x_fixed)
752
+
753
+ if callable(jac):
754
+ jac = _Remove_From_Func(jac, i_fixed, x_fixed, remove=1)
755
+
756
+ # make a copy of the constraints so the user's version doesn't
757
+ # get changed. (Shallow copy is ok)
758
+ constraints = [con.copy() for con in constraints]
759
+ for con in constraints: # yes, guaranteed to be a list
760
+ con['fun'] = _Remove_From_Func(con['fun'], i_fixed,
761
+ x_fixed, min_dim=1,
762
+ remove=0)
763
+ if callable(con.get('jac', None)):
764
+ con['jac'] = _Remove_From_Func(con['jac'], i_fixed,
765
+ x_fixed, min_dim=2,
766
+ remove=1)
767
+ bounds = standardize_bounds(bounds, x0, meth)
768
+
769
+ # selects whether to use callback(x) or callback(intermediate_result)
770
+ callback = _wrap_callback(callback, meth)
771
+
772
+ if meth == 'nelder-mead':
773
+ res = _minimize_neldermead(fun, x0, args, callback, bounds=bounds,
774
+ **options)
775
+ elif meth == 'powell':
776
+ res = _minimize_powell(fun, x0, args, callback, bounds, **options)
777
+ elif meth == 'cg':
778
+ res = _minimize_cg(fun, x0, args, jac, callback, **options)
779
+ elif meth == 'bfgs':
780
+ res = _minimize_bfgs(fun, x0, args, jac, callback, **options)
781
+ elif meth == 'newton-cg':
782
+ res = _minimize_newtoncg(fun, x0, args, jac, hess, hessp, callback,
783
+ **options)
784
+ elif meth == 'l-bfgs-b':
785
+ res = _minimize_lbfgsb(fun, x0, args, jac, bounds,
786
+ callback=callback, **options)
787
+ elif meth == 'tnc':
788
+ res = _minimize_tnc(fun, x0, args, jac, bounds, callback=callback,
789
+ **options)
790
+ elif meth == 'cobyla':
791
+ res = _minimize_cobyla(fun, x0, args, constraints, callback=callback,
792
+ bounds=bounds, **options)
793
+ elif meth == 'cobyqa':
794
+ res = _minimize_cobyqa(fun, x0, args, bounds, constraints, callback,
795
+ **options)
796
+ elif meth == 'slsqp':
797
+ res = _minimize_slsqp(fun, x0, args, jac, bounds,
798
+ constraints, callback=callback, **options)
799
+ elif meth == 'trust-constr':
800
+ res = _minimize_trustregion_constr(fun, x0, args, jac, hess, hessp,
801
+ bounds, constraints,
802
+ callback=callback, **options)
803
+ elif meth == 'dogleg':
804
+ res = _minimize_dogleg(fun, x0, args, jac, hess,
805
+ callback=callback, **options)
806
+ elif meth == 'trust-ncg':
807
+ res = _minimize_trust_ncg(fun, x0, args, jac, hess, hessp,
808
+ callback=callback, **options)
809
+ elif meth == 'trust-krylov':
810
+ res = _minimize_trust_krylov(fun, x0, args, jac, hess, hessp,
811
+ callback=callback, **options)
812
+ elif meth == 'trust-exact':
813
+ res = _minimize_trustregion_exact(fun, x0, args, jac, hess,
814
+ callback=callback, **options)
815
+ else:
816
+ raise ValueError(f'Unknown solver {method}')
817
+
818
+ if remove_vars:
819
+ res.x = _add_to_array(res.x, i_fixed, x_fixed)
820
+ res.jac = _add_to_array(res.jac, i_fixed, np.nan)
821
+ if "hess_inv" in res:
822
+ res.hess_inv = None # unknown
823
+
824
+ if getattr(callback, 'stop_iteration', False):
825
+ res.success = False
826
+ res.status = 99
827
+ res.message = "`callback` raised `StopIteration`."
828
+
829
+ return res
830
+
831
+
832
+ def minimize_scalar(fun, bracket=None, bounds=None, args=(),
833
+ method=None, tol=None, options=None):
834
+ """Local minimization of scalar function of one variable.
835
+
836
+ Parameters
837
+ ----------
838
+ fun : callable
839
+ Objective function.
840
+ Scalar function, must return a scalar.
841
+
842
+ Suppose the callable has signature ``f0(x, *my_args, **my_kwargs)``, where
843
+ ``my_args`` and ``my_kwargs`` are required positional and keyword arguments.
844
+ Rather than passing ``f0`` as the callable, wrap it to accept
845
+ only ``x``; e.g., pass ``fun=lambda x: f0(x, *my_args, **my_kwargs)`` as the
846
+ callable, where ``my_args`` (tuple) and ``my_kwargs`` (dict) have been
847
+ gathered before invoking this function.
848
+
849
+ bracket : sequence, optional
850
+ For methods 'brent' and 'golden', `bracket` defines the bracketing
851
+ interval and is required.
852
+ Either a triple ``(xa, xb, xc)`` satisfying ``xa < xb < xc`` and
853
+ ``func(xb) < func(xa) and func(xb) < func(xc)``, or a pair
854
+ ``(xa, xb)`` to be used as initial points for a downhill bracket search
855
+ (see `scipy.optimize.bracket`).
856
+ The minimizer ``res.x`` will not necessarily satisfy
857
+ ``xa <= res.x <= xb``.
858
+ bounds : sequence, optional
859
+ For method 'bounded', `bounds` is mandatory and must have two finite
860
+ items corresponding to the optimization bounds.
861
+ args : tuple, optional
862
+ Extra arguments passed to the objective function.
863
+ method : str or callable, optional
864
+ Type of solver. Should be one of:
865
+
866
+ - :ref:`Brent <optimize.minimize_scalar-brent>`
867
+ - :ref:`Bounded <optimize.minimize_scalar-bounded>`
868
+ - :ref:`Golden <optimize.minimize_scalar-golden>`
869
+ - custom - a callable object (added in version 0.14.0), see below
870
+
871
+ Default is "Bounded" if bounds are provided and "Brent" otherwise.
872
+ See the 'Notes' section for details of each solver.
873
+
874
+ tol : float, optional
875
+ Tolerance for termination. For detailed control, use solver-specific
876
+ options.
877
+ options : dict, optional
878
+ A dictionary of solver options.
879
+
880
+ maxiter : int
881
+ Maximum number of iterations to perform.
882
+ disp : bool
883
+ Set to True to print convergence messages.
884
+
885
+ See :func:`show_options()` for solver-specific options.
886
+
887
+ Returns
888
+ -------
889
+ res : OptimizeResult
890
+ The optimization result represented as a ``OptimizeResult`` object.
891
+ Important attributes are: ``x`` the solution array, ``success`` a
892
+ Boolean flag indicating if the optimizer exited successfully and
893
+ ``message`` which describes the cause of the termination. See
894
+ `OptimizeResult` for a description of other attributes.
895
+
896
+ See also
897
+ --------
898
+ minimize : Interface to minimization algorithms for scalar multivariate
899
+ functions
900
+ show_options : Additional options accepted by the solvers
901
+
902
+ Notes
903
+ -----
904
+ This section describes the available solvers that can be selected by the
905
+ 'method' parameter. The default method is the ``"Bounded"`` Brent method if
906
+ `bounds` are passed and unbounded ``"Brent"`` otherwise.
907
+
908
+ Method :ref:`Brent <optimize.minimize_scalar-brent>` uses Brent's
909
+ algorithm [1]_ to find a local minimum. The algorithm uses inverse
910
+ parabolic interpolation when possible to speed up convergence of
911
+ the golden section method.
912
+
913
+ Method :ref:`Golden <optimize.minimize_scalar-golden>` uses the
914
+ golden section search technique [1]_. It uses analog of the bisection
915
+ method to decrease the bracketed interval. It is usually
916
+ preferable to use the *Brent* method.
917
+
918
+ Method :ref:`Bounded <optimize.minimize_scalar-bounded>` can
919
+ perform bounded minimization [2]_ [3]_. It uses the Brent method to find a
920
+ local minimum in the interval x1 < xopt < x2.
921
+
922
+ Note that the Brent and Golden methods do not guarantee success unless a
923
+ valid ``bracket`` triple is provided. If a three-point bracket cannot be
924
+ found, consider `scipy.optimize.minimize`. Also, all methods are intended
925
+ only for local minimization. When the function of interest has more than
926
+ one local minimum, consider :ref:`global_optimization`.
927
+
928
+ **Custom minimizers**
929
+
930
+ It may be useful to pass a custom minimization method, for example
931
+ when using some library frontend to minimize_scalar. You can simply
932
+ pass a callable as the ``method`` parameter.
933
+
934
+ The callable is called as ``method(fun, args, **kwargs, **options)``
935
+ where ``kwargs`` corresponds to any other parameters passed to `minimize`
936
+ (such as `bracket`, `tol`, etc.), except the `options` dict, which has
937
+ its contents also passed as `method` parameters pair by pair. The method
938
+ shall return an `OptimizeResult` object.
939
+
940
+ The provided `method` callable must be able to accept (and possibly ignore)
941
+ arbitrary parameters; the set of parameters accepted by `minimize` may
942
+ expand in future versions and then these parameters will be passed to
943
+ the method. You can find an example in the scipy.optimize tutorial.
944
+
945
+ .. versionadded:: 0.11.0
946
+
947
+ References
948
+ ----------
949
+ .. [1] Press, W., S.A. Teukolsky, W.T. Vetterling, and B.P. Flannery.
950
+ Numerical Recipes in C. Cambridge University Press.
951
+ .. [2] Forsythe, G.E., M. A. Malcolm, and C. B. Moler. "Computer Methods
952
+ for Mathematical Computations." Prentice-Hall Series in Automatic
953
+ Computation 259 (1977).
954
+ .. [3] Brent, Richard P. Algorithms for Minimization Without Derivatives.
955
+ Courier Corporation, 2013.
956
+
957
+ Examples
958
+ --------
959
+ Consider the problem of minimizing the following function.
960
+
961
+ >>> def f(x):
962
+ ... return (x - 2) * x * (x + 2)**2
963
+
964
+ Using the *Brent* method, we find the local minimum as:
965
+
966
+ >>> from scipy.optimize import minimize_scalar
967
+ >>> res = minimize_scalar(f)
968
+ >>> res.fun
969
+ -9.9149495908
970
+
971
+ The minimizer is:
972
+
973
+ >>> res.x
974
+ 1.28077640403
975
+
976
+ Using the *Bounded* method, we find a local minimum with specified
977
+ bounds as:
978
+
979
+ >>> res = minimize_scalar(f, bounds=(-3, -1), method='bounded')
980
+ >>> res.fun # minimum
981
+ 3.28365179850e-13
982
+ >>> res.x # minimizer
983
+ -2.0000002026
984
+
985
+ """
986
+ if not isinstance(args, tuple):
987
+ args = (args,)
988
+
989
+ if callable(method):
990
+ meth = "_custom"
991
+ elif method is None:
992
+ meth = 'brent' if bounds is None else 'bounded'
993
+ else:
994
+ meth = method.lower()
995
+ if options is None:
996
+ options = {}
997
+
998
+ if bounds is not None and meth in {'brent', 'golden'}:
999
+ message = f"Use of `bounds` is incompatible with 'method={method}'."
1000
+ raise ValueError(message)
1001
+
1002
+ if tol is not None:
1003
+ options = dict(options)
1004
+ if meth == 'bounded' and 'xatol' not in options:
1005
+ warn("Method 'bounded' does not support relative tolerance in x; "
1006
+ "defaulting to absolute tolerance.",
1007
+ RuntimeWarning, stacklevel=2)
1008
+ options['xatol'] = tol
1009
+ elif meth == '_custom':
1010
+ options.setdefault('tol', tol)
1011
+ else:
1012
+ options.setdefault('xtol', tol)
1013
+
1014
+ # replace boolean "disp" option, if specified, by an integer value.
1015
+ disp = options.get('disp')
1016
+ if isinstance(disp, bool):
1017
+ options['disp'] = 2 * int(disp)
1018
+
1019
+ if meth == '_custom':
1020
+ res = method(fun, args=args, bracket=bracket, bounds=bounds, **options)
1021
+ elif meth == 'brent':
1022
+ res = _recover_from_bracket_error(_minimize_scalar_brent,
1023
+ fun, bracket, args, **options)
1024
+ elif meth == 'bounded':
1025
+ if bounds is None:
1026
+ raise ValueError('The `bounds` parameter is mandatory for '
1027
+ 'method `bounded`.')
1028
+ res = _minimize_scalar_bounded(fun, bounds, args, **options)
1029
+ elif meth == 'golden':
1030
+ res = _recover_from_bracket_error(_minimize_scalar_golden,
1031
+ fun, bracket, args, **options)
1032
+ else:
1033
+ raise ValueError(f'Unknown solver {method}')
1034
+
1035
+ # gh-16196 reported inconsistencies in the output shape of `res.x`. While
1036
+ # fixing this, future-proof it for when the function is vectorized:
1037
+ # the shape of `res.x` should match that of `res.fun`.
1038
+ res.fun = np.asarray(res.fun)[()]
1039
+ res.x = np.reshape(res.x, res.fun.shape)[()]
1040
+ return res
1041
+
1042
+
1043
+ def _remove_from_bounds(bounds, i_fixed):
1044
+ """Removes fixed variables from a `Bounds` instance"""
1045
+ lb = bounds.lb[~i_fixed]
1046
+ ub = bounds.ub[~i_fixed]
1047
+ return Bounds(lb, ub) # don't mutate original Bounds object
1048
+
1049
+
1050
+ class _Patch_Callback_Equal_Variables:
1051
+ # Patches a callback that accepts an intermediate_result
1052
+ def __init__(self, callback, i_fixed, x_fixed):
1053
+ self.callback = callback
1054
+ self.i_fixed = i_fixed
1055
+ self.x_fixed = x_fixed
1056
+
1057
+ def __call__(self, intermediate_result):
1058
+ x_in = intermediate_result.x
1059
+ x_out = np.zeros_like(self.i_fixed, dtype=x_in.dtype)
1060
+ x_out[self.i_fixed] = self.x_fixed
1061
+ x_out[~self.i_fixed] = x_in
1062
+ intermediate_result.x = x_out
1063
+ return self.callback(intermediate_result)
1064
+
1065
+
1066
+ class _Remove_From_Func:
1067
+ """Wraps a function such that fixed variables need not be passed in"""
1068
+ def __init__(self, fun_in, i_fixed, x_fixed, min_dim=None, remove=0):
1069
+ self.fun_in = fun_in
1070
+ self.i_fixed = i_fixed
1071
+ self.x_fixed = x_fixed
1072
+ self.min_dim = min_dim
1073
+ self.remove = remove
1074
+
1075
+ def __call__(self, x_in, *args, **kwargs):
1076
+ x_out = np.zeros_like(self.i_fixed, dtype=x_in.dtype)
1077
+ x_out[self.i_fixed] = self.x_fixed
1078
+ x_out[~self.i_fixed] = x_in
1079
+ y_out = self.fun_in(x_out, *args, **kwargs)
1080
+ y_out = np.array(y_out)
1081
+
1082
+ if self.min_dim == 1:
1083
+ y_out = np.atleast_1d(y_out)
1084
+ elif self.min_dim == 2:
1085
+ y_out = np.atleast_2d(y_out)
1086
+
1087
+ if self.remove == 1:
1088
+ y_out = y_out[..., ~self.i_fixed]
1089
+ elif self.remove == 2:
1090
+ y_out = y_out[~self.i_fixed, ~self.i_fixed]
1091
+
1092
+ return y_out
1093
+
1094
+
1095
+ def _add_to_array(x_in, i_fixed, x_fixed):
1096
+ """Adds fixed variables back to an array"""
1097
+ i_free = ~i_fixed
1098
+ if x_in.ndim == 2:
1099
+ i_free = i_free[:, None] @ i_free[None, :]
1100
+ x_out = np.zeros_like(i_free, dtype=x_in.dtype)
1101
+ x_out[~i_free] = x_fixed
1102
+ x_out[i_free] = x_in.ravel()
1103
+ return x_out
1104
+
1105
+
1106
+ def _validate_bounds(bounds, x0, meth):
1107
+ """Check that bounds are valid."""
1108
+
1109
+ msg = "An upper bound is less than the corresponding lower bound."
1110
+ if np.any(bounds.ub < bounds.lb):
1111
+ raise ValueError(msg)
1112
+
1113
+ msg = "The number of bounds is not compatible with the length of `x0`."
1114
+ try:
1115
+ bounds.lb = np.broadcast_to(bounds.lb, x0.shape)
1116
+ bounds.ub = np.broadcast_to(bounds.ub, x0.shape)
1117
+ except Exception as e:
1118
+ raise ValueError(msg) from e
1119
+
1120
+ return bounds
1121
+
1122
+ def standardize_bounds(bounds, x0, meth):
1123
+ """Converts bounds to the form required by the solver."""
1124
+ if meth in {'trust-constr', 'powell', 'nelder-mead', 'cobyla', 'cobyqa',
1125
+ 'new'}:
1126
+ if not isinstance(bounds, Bounds):
1127
+ lb, ub = old_bound_to_new(bounds)
1128
+ bounds = Bounds(lb, ub)
1129
+ elif meth in ('l-bfgs-b', 'tnc', 'slsqp', 'old'):
1130
+ if isinstance(bounds, Bounds):
1131
+ bounds = new_bounds_to_old(bounds.lb, bounds.ub, x0.shape[0])
1132
+ return bounds
1133
+
1134
+
1135
+ def standardize_constraints(constraints, x0, meth):
1136
+ """Converts constraints to the form required by the solver."""
1137
+ all_constraint_types = (NonlinearConstraint, LinearConstraint, dict)
1138
+ new_constraint_types = all_constraint_types[:-1]
1139
+ if constraints is None:
1140
+ constraints = []
1141
+ elif isinstance(constraints, all_constraint_types):
1142
+ constraints = [constraints]
1143
+ else:
1144
+ constraints = list(constraints) # ensure it's a mutable sequence
1145
+
1146
+ if meth in ['trust-constr', 'cobyqa', 'new', 'cobyla']:
1147
+ for i, con in enumerate(constraints):
1148
+ if not isinstance(con, new_constraint_types):
1149
+ constraints[i] = old_constraint_to_new(i, con)
1150
+ else:
1151
+ # iterate over copy, changing original
1152
+ for i, con in enumerate(list(constraints)):
1153
+ if isinstance(con, new_constraint_types):
1154
+ old_constraints = new_constraint_to_old(con, x0)
1155
+ constraints[i] = old_constraints[0]
1156
+ constraints.extend(old_constraints[1:]) # appends 1 if present
1157
+
1158
+ return constraints
1159
+
1160
+
1161
+ def _optimize_result_for_equal_bounds(
1162
+ fun, bounds, method, args=(), constraints=()
1163
+ ):
1164
+ """
1165
+ Provides a default OptimizeResult for when a bounded minimization method
1166
+ has (lb == ub).all().
1167
+
1168
+ Parameters
1169
+ ----------
1170
+ fun: callable
1171
+ bounds: Bounds
1172
+ method: str
1173
+ constraints: Constraint
1174
+ """
1175
+ success = True
1176
+ message = 'All independent variables were fixed by bounds.'
1177
+
1178
+ # bounds is new-style
1179
+ x0 = bounds.lb
1180
+
1181
+ if constraints:
1182
+ message = ("All independent variables were fixed by bounds at values"
1183
+ " that satisfy the constraints.")
1184
+ constraints = standardize_constraints(constraints, x0, 'new')
1185
+
1186
+ maxcv = 0
1187
+ for c in constraints:
1188
+ pc = PreparedConstraint(c, x0)
1189
+ violation = pc.violation(x0)
1190
+ if np.sum(violation):
1191
+ maxcv = max(maxcv, np.max(violation))
1192
+ success = False
1193
+ message = (f"All independent variables were fixed by bounds, but "
1194
+ f"the independent variables do not satisfy the "
1195
+ f"constraints exactly. (Maximum violation: {maxcv}).")
1196
+
1197
+ return OptimizeResult(
1198
+ x=x0, fun=fun(x0, *args), success=success, message=message, nfev=1,
1199
+ njev=0, nhev=0,
1200
+ )