matfuncs.py
19.3 KB
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
710
711
712
713
714
715
716
717
718
719
720
721
722
723
724
725
726
727
728
729
730
731
732
#
# Author: Travis Oliphant, March 2002
#
__all__ = ['expm','cosm','sinm','tanm','coshm','sinhm',
'tanhm','logm','funm','signm','sqrtm',
'expm_frechet', 'expm_cond', 'fractional_matrix_power',
'khatri_rao']
from numpy import (Inf, dot, diag, prod, logical_not, ravel,
transpose, conjugate, absolute, amax, sign, isfinite, single)
import numpy as np
# Local imports
from .misc import norm
from .basic import solve, inv
from .special_matrices import triu
from .decomp_svd import svd
from .decomp_schur import schur, rsf2csf
from ._expm_frechet import expm_frechet, expm_cond
from ._matfuncs_sqrtm import sqrtm
eps = np.finfo(float).eps
feps = np.finfo(single).eps
_array_precision = {'i': 1, 'l': 1, 'f': 0, 'd': 1, 'F': 0, 'D': 1}
###############################################################################
# Utility functions.
def _asarray_square(A):
"""
Wraps asarray with the extra requirement that the input be a square matrix.
The motivation is that the matfuncs module has real functions that have
been lifted to square matrix functions.
Parameters
----------
A : array_like
A square matrix.
Returns
-------
out : ndarray
An ndarray copy or view or other representation of A.
"""
A = np.asarray(A)
if len(A.shape) != 2 or A.shape[0] != A.shape[1]:
raise ValueError('expected square array_like input')
return A
def _maybe_real(A, B, tol=None):
"""
Return either B or the real part of B, depending on properties of A and B.
The motivation is that B has been computed as a complicated function of A,
and B may be perturbed by negligible imaginary components.
If A is real and B is complex with small imaginary components,
then return a real copy of B. The assumption in that case would be that
the imaginary components of B are numerical artifacts.
Parameters
----------
A : ndarray
Input array whose type is to be checked as real vs. complex.
B : ndarray
Array to be returned, possibly without its imaginary part.
tol : float
Absolute tolerance.
Returns
-------
out : real or complex array
Either the input array B or only the real part of the input array B.
"""
# Note that booleans and integers compare as real.
if np.isrealobj(A) and np.iscomplexobj(B):
if tol is None:
tol = {0:feps*1e3, 1:eps*1e6}[_array_precision[B.dtype.char]]
if np.allclose(B.imag, 0.0, atol=tol):
B = B.real
return B
###############################################################################
# Matrix functions.
def fractional_matrix_power(A, t):
"""
Compute the fractional power of a matrix.
Proceeds according to the discussion in section (6) of [1]_.
Parameters
----------
A : (N, N) array_like
Matrix whose fractional power to evaluate.
t : float
Fractional power.
Returns
-------
X : (N, N) array_like
The fractional power of the matrix.
References
----------
.. [1] Nicholas J. Higham and Lijing lin (2011)
"A Schur-Pade Algorithm for Fractional Powers of a Matrix."
SIAM Journal on Matrix Analysis and Applications,
32 (3). pp. 1056-1078. ISSN 0895-4798
Examples
--------
>>> from scipy.linalg import fractional_matrix_power
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> b = fractional_matrix_power(a, 0.5)
>>> b
array([[ 0.75592895, 1.13389342],
[ 0.37796447, 1.88982237]])
>>> np.dot(b, b) # Verify square root
array([[ 1., 3.],
[ 1., 4.]])
"""
# This fixes some issue with imports;
# this function calls onenormest which is in scipy.sparse.
A = _asarray_square(A)
import scipy.linalg._matfuncs_inv_ssq
return scipy.linalg._matfuncs_inv_ssq._fractional_matrix_power(A, t)
def logm(A, disp=True):
"""
Compute matrix logarithm.
The matrix logarithm is the inverse of
expm: expm(logm(`A`)) == `A`
Parameters
----------
A : (N, N) array_like
Matrix whose logarithm to evaluate
disp : bool, optional
Print warning if error in the result is estimated large
instead of returning estimated error. (Default: True)
Returns
-------
logm : (N, N) ndarray
Matrix logarithm of `A`
errest : float
(if disp == False)
1-norm of the estimated error, ||err||_1 / ||A||_1
References
----------
.. [1] Awad H. Al-Mohy and Nicholas J. Higham (2012)
"Improved Inverse Scaling and Squaring Algorithms
for the Matrix Logarithm."
SIAM Journal on Scientific Computing, 34 (4). C152-C169.
ISSN 1095-7197
.. [2] Nicholas J. Higham (2008)
"Functions of Matrices: Theory and Computation"
ISBN 978-0-898716-46-7
.. [3] Nicholas J. Higham and Lijing lin (2011)
"A Schur-Pade Algorithm for Fractional Powers of a Matrix."
SIAM Journal on Matrix Analysis and Applications,
32 (3). pp. 1056-1078. ISSN 0895-4798
Examples
--------
>>> from scipy.linalg import logm, expm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> b = logm(a)
>>> b
array([[-1.02571087, 2.05142174],
[ 0.68380725, 1.02571087]])
>>> expm(b) # Verify expm(logm(a)) returns a
array([[ 1., 3.],
[ 1., 4.]])
"""
A = _asarray_square(A)
# Avoid circular import ... this is OK, right?
import scipy.linalg._matfuncs_inv_ssq
F = scipy.linalg._matfuncs_inv_ssq._logm(A)
F = _maybe_real(A, F)
errtol = 1000*eps
#TODO use a better error approximation
errest = norm(expm(F)-A,1) / norm(A,1)
if disp:
if not isfinite(errest) or errest >= errtol:
print("logm result may be inaccurate, approximate err =", errest)
return F
else:
return F, errest
def expm(A):
"""
Compute the matrix exponential using Pade approximation.
Parameters
----------
A : (N, N) array_like or sparse matrix
Matrix to be exponentiated.
Returns
-------
expm : (N, N) ndarray
Matrix exponential of `A`.
References
----------
.. [1] Awad H. Al-Mohy and Nicholas J. Higham (2009)
"A New Scaling and Squaring Algorithm for the Matrix Exponential."
SIAM Journal on Matrix Analysis and Applications.
31 (3). pp. 970-989. ISSN 1095-7162
Examples
--------
>>> from scipy.linalg import expm, sinm, cosm
Matrix version of the formula exp(0) = 1:
>>> expm(np.zeros((2,2)))
array([[ 1., 0.],
[ 0., 1.]])
Euler's identity (exp(i*theta) = cos(theta) + i*sin(theta))
applied to a matrix:
>>> a = np.array([[1.0, 2.0], [-1.0, 3.0]])
>>> expm(1j*a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
>>> cosm(a) + 1j*sinm(a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
"""
# Input checking and conversion is provided by sparse.linalg.expm().
import scipy.sparse.linalg
return scipy.sparse.linalg.expm(A)
def cosm(A):
"""
Compute the matrix cosine.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array
Returns
-------
cosm : (N, N) ndarray
Matrix cosine of A
Examples
--------
>>> from scipy.linalg import expm, sinm, cosm
Euler's identity (exp(i*theta) = cos(theta) + i*sin(theta))
applied to a matrix:
>>> a = np.array([[1.0, 2.0], [-1.0, 3.0]])
>>> expm(1j*a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
>>> cosm(a) + 1j*sinm(a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
"""
A = _asarray_square(A)
if np.iscomplexobj(A):
return 0.5*(expm(1j*A) + expm(-1j*A))
else:
return expm(1j*A).real
def sinm(A):
"""
Compute the matrix sine.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array.
Returns
-------
sinm : (N, N) ndarray
Matrix sine of `A`
Examples
--------
>>> from scipy.linalg import expm, sinm, cosm
Euler's identity (exp(i*theta) = cos(theta) + i*sin(theta))
applied to a matrix:
>>> a = np.array([[1.0, 2.0], [-1.0, 3.0]])
>>> expm(1j*a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
>>> cosm(a) + 1j*sinm(a)
array([[ 0.42645930+1.89217551j, -2.13721484-0.97811252j],
[ 1.06860742+0.48905626j, -1.71075555+0.91406299j]])
"""
A = _asarray_square(A)
if np.iscomplexobj(A):
return -0.5j*(expm(1j*A) - expm(-1j*A))
else:
return expm(1j*A).imag
def tanm(A):
"""
Compute the matrix tangent.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array.
Returns
-------
tanm : (N, N) ndarray
Matrix tangent of `A`
Examples
--------
>>> from scipy.linalg import tanm, sinm, cosm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> t = tanm(a)
>>> t
array([[ -2.00876993, -8.41880636],
[ -2.80626879, -10.42757629]])
Verify tanm(a) = sinm(a).dot(inv(cosm(a)))
>>> s = sinm(a)
>>> c = cosm(a)
>>> s.dot(np.linalg.inv(c))
array([[ -2.00876993, -8.41880636],
[ -2.80626879, -10.42757629]])
"""
A = _asarray_square(A)
return _maybe_real(A, solve(cosm(A), sinm(A)))
def coshm(A):
"""
Compute the hyperbolic matrix cosine.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array.
Returns
-------
coshm : (N, N) ndarray
Hyperbolic matrix cosine of `A`
Examples
--------
>>> from scipy.linalg import tanhm, sinhm, coshm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> c = coshm(a)
>>> c
array([[ 11.24592233, 38.76236492],
[ 12.92078831, 50.00828725]])
Verify tanhm(a) = sinhm(a).dot(inv(coshm(a)))
>>> t = tanhm(a)
>>> s = sinhm(a)
>>> t - s.dot(np.linalg.inv(c))
array([[ 2.72004641e-15, 4.55191440e-15],
[ 0.00000000e+00, -5.55111512e-16]])
"""
A = _asarray_square(A)
return _maybe_real(A, 0.5 * (expm(A) + expm(-A)))
def sinhm(A):
"""
Compute the hyperbolic matrix sine.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array.
Returns
-------
sinhm : (N, N) ndarray
Hyperbolic matrix sine of `A`
Examples
--------
>>> from scipy.linalg import tanhm, sinhm, coshm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> s = sinhm(a)
>>> s
array([[ 10.57300653, 39.28826594],
[ 13.09608865, 49.86127247]])
Verify tanhm(a) = sinhm(a).dot(inv(coshm(a)))
>>> t = tanhm(a)
>>> c = coshm(a)
>>> t - s.dot(np.linalg.inv(c))
array([[ 2.72004641e-15, 4.55191440e-15],
[ 0.00000000e+00, -5.55111512e-16]])
"""
A = _asarray_square(A)
return _maybe_real(A, 0.5 * (expm(A) - expm(-A)))
def tanhm(A):
"""
Compute the hyperbolic matrix tangent.
This routine uses expm to compute the matrix exponentials.
Parameters
----------
A : (N, N) array_like
Input array
Returns
-------
tanhm : (N, N) ndarray
Hyperbolic matrix tangent of `A`
Examples
--------
>>> from scipy.linalg import tanhm, sinhm, coshm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> t = tanhm(a)
>>> t
array([[ 0.3428582 , 0.51987926],
[ 0.17329309, 0.86273746]])
Verify tanhm(a) = sinhm(a).dot(inv(coshm(a)))
>>> s = sinhm(a)
>>> c = coshm(a)
>>> t - s.dot(np.linalg.inv(c))
array([[ 2.72004641e-15, 4.55191440e-15],
[ 0.00000000e+00, -5.55111512e-16]])
"""
A = _asarray_square(A)
return _maybe_real(A, solve(coshm(A), sinhm(A)))
def funm(A, func, disp=True):
"""
Evaluate a matrix function specified by a callable.
Returns the value of matrix-valued function ``f`` at `A`. The
function ``f`` is an extension of the scalar-valued function `func`
to matrices.
Parameters
----------
A : (N, N) array_like
Matrix at which to evaluate the function
func : callable
Callable object that evaluates a scalar function f.
Must be vectorized (eg. using vectorize).
disp : bool, optional
Print warning if error in the result is estimated large
instead of returning estimated error. (Default: True)
Returns
-------
funm : (N, N) ndarray
Value of the matrix function specified by func evaluated at `A`
errest : float
(if disp == False)
1-norm of the estimated error, ||err||_1 / ||A||_1
Examples
--------
>>> from scipy.linalg import funm
>>> a = np.array([[1.0, 3.0], [1.0, 4.0]])
>>> funm(a, lambda x: x*x)
array([[ 4., 15.],
[ 5., 19.]])
>>> a.dot(a)
array([[ 4., 15.],
[ 5., 19.]])
Notes
-----
This function implements the general algorithm based on Schur decomposition
(Algorithm 9.1.1. in [1]_).
If the input matrix is known to be diagonalizable, then relying on the
eigendecomposition is likely to be faster. For example, if your matrix is
Hermitian, you can do
>>> from scipy.linalg import eigh
>>> def funm_herm(a, func, check_finite=False):
... w, v = eigh(a, check_finite=check_finite)
... ## if you further know that your matrix is positive semidefinite,
... ## you can optionally guard against precision errors by doing
... # w = np.maximum(w, 0)
... w = func(w)
... return (v * w).dot(v.conj().T)
References
----------
.. [1] Gene H. Golub, Charles F. van Loan, Matrix Computations 4th ed.
"""
A = _asarray_square(A)
# Perform Shur decomposition (lapack ?gees)
T, Z = schur(A)
T, Z = rsf2csf(T,Z)
n,n = T.shape
F = diag(func(diag(T))) # apply function to diagonal elements
F = F.astype(T.dtype.char) # e.g., when F is real but T is complex
minden = abs(T[0,0])
# implement Algorithm 11.1.1 from Golub and Van Loan
# "matrix Computations."
for p in range(1,n):
for i in range(1,n-p+1):
j = i + p
s = T[i-1,j-1] * (F[j-1,j-1] - F[i-1,i-1])
ksl = slice(i,j-1)
val = dot(T[i-1,ksl],F[ksl,j-1]) - dot(F[i-1,ksl],T[ksl,j-1])
s = s + val
den = T[j-1,j-1] - T[i-1,i-1]
if den != 0.0:
s = s / den
F[i-1,j-1] = s
minden = min(minden,abs(den))
F = dot(dot(Z, F), transpose(conjugate(Z)))
F = _maybe_real(A, F)
tol = {0:feps, 1:eps}[_array_precision[F.dtype.char]]
if minden == 0.0:
minden = tol
err = min(1, max(tol,(tol/minden)*norm(triu(T,1),1)))
if prod(ravel(logical_not(isfinite(F))),axis=0):
err = Inf
if disp:
if err > 1000*tol:
print("funm result may be inaccurate, approximate err =", err)
return F
else:
return F, err
def signm(A, disp=True):
"""
Matrix sign function.
Extension of the scalar sign(x) to matrices.
Parameters
----------
A : (N, N) array_like
Matrix at which to evaluate the sign function
disp : bool, optional
Print warning if error in the result is estimated large
instead of returning estimated error. (Default: True)
Returns
-------
signm : (N, N) ndarray
Value of the sign function at `A`
errest : float
(if disp == False)
1-norm of the estimated error, ||err||_1 / ||A||_1
Examples
--------
>>> from scipy.linalg import signm, eigvals
>>> a = [[1,2,3], [1,2,1], [1,1,1]]
>>> eigvals(a)
array([ 4.12488542+0.j, -0.76155718+0.j, 0.63667176+0.j])
>>> eigvals(signm(a))
array([-1.+0.j, 1.+0.j, 1.+0.j])
"""
A = _asarray_square(A)
def rounded_sign(x):
rx = np.real(x)
if rx.dtype.char == 'f':
c = 1e3*feps*amax(x)
else:
c = 1e3*eps*amax(x)
return sign((absolute(rx) > c) * rx)
result, errest = funm(A, rounded_sign, disp=0)
errtol = {0:1e3*feps, 1:1e3*eps}[_array_precision[result.dtype.char]]
if errest < errtol:
return result
# Handle signm of defective matrices:
# See "E.D.Denman and J.Leyva-Ramos, Appl.Math.Comp.,
# 8:237-250,1981" for how to improve the following (currently a
# rather naive) iteration process:
# a = result # sometimes iteration converges faster but where??
# Shifting to avoid zero eigenvalues. How to ensure that shifting does
# not change the spectrum too much?
vals = svd(A, compute_uv=0)
max_sv = np.amax(vals)
# min_nonzero_sv = vals[(vals>max_sv*errtol).tolist().count(1)-1]
# c = 0.5/min_nonzero_sv
c = 0.5/max_sv
S0 = A + c*np.identity(A.shape[0])
prev_errest = errest
for i in range(100):
iS0 = inv(S0)
S0 = 0.5*(S0 + iS0)
Pp = 0.5*(dot(S0,S0)+S0)
errest = norm(dot(Pp,Pp)-Pp,1)
if errest < errtol or prev_errest == errest:
break
prev_errest = errest
if disp:
if not isfinite(errest) or errest >= errtol:
print("signm result may be inaccurate, approximate err =", errest)
return S0
else:
return S0, errest
def khatri_rao(a, b):
r"""
Khatri-rao product
A column-wise Kronecker product of two matrices
Parameters
----------
a: (n, k) array_like
Input array
b: (m, k) array_like
Input array
Returns
-------
c: (n*m, k) ndarray
Khatri-rao product of `a` and `b`.
Notes
-----
The mathematical definition of the Khatri-Rao product is:
.. math::
(A_{ij} \bigotimes B_{ij})_{ij}
which is the Kronecker product of every column of A and B, e.g.::
c = np.vstack([np.kron(a[:, k], b[:, k]) for k in range(b.shape[1])]).T
See Also
--------
kron : Kronecker product
Examples
--------
>>> from scipy import linalg
>>> a = np.array([[1, 2, 3], [4, 5, 6]])
>>> b = np.array([[3, 4, 5], [6, 7, 8], [2, 3, 9]])
>>> linalg.khatri_rao(a, b)
array([[ 3, 8, 15],
[ 6, 14, 24],
[ 2, 6, 27],
[12, 20, 30],
[24, 35, 48],
[ 8, 15, 54]])
"""
a = np.asarray(a)
b = np.asarray(b)
if not(a.ndim == 2 and b.ndim == 2):
raise ValueError("The both arrays should be 2-dimensional.")
if not a.shape[1] == b.shape[1]:
raise ValueError("The number of columns for both arrays "
"should be equal.")
# c = np.vstack([np.kron(a[:, k], b[:, k]) for k in range(b.shape[1])]).T
c = a[..., :, np.newaxis, :] * b[..., np.newaxis, :, :]
return c.reshape((-1,) + c.shape[2:])