_expm_frechet.py
12 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
"""Frechet derivative of the matrix exponential."""
import numpy as np
import scipy.linalg
__all__ = ['expm_frechet', 'expm_cond']
def expm_frechet(A, E, method=None, compute_expm=True, check_finite=True):
"""
Frechet derivative of the matrix exponential of A in the direction E.
Parameters
----------
A : (N, N) array_like
Matrix of which to take the matrix exponential.
E : (N, N) array_like
Matrix direction in which to take the Frechet derivative.
method : str, optional
Choice of algorithm. Should be one of
- `SPS` (default)
- `blockEnlarge`
compute_expm : bool, optional
Whether to compute also `expm_A` in addition to `expm_frechet_AE`.
Default is True.
check_finite : bool, optional
Whether to check that the input matrix contains only finite numbers.
Disabling may give a performance gain, but may result in problems
(crashes, non-termination) if the inputs do contain infinities or NaNs.
Returns
-------
expm_A : ndarray
Matrix exponential of A.
expm_frechet_AE : ndarray
Frechet derivative of the matrix exponential of A in the direction E.
For ``compute_expm = False``, only `expm_frechet_AE` is returned.
See also
--------
expm : Compute the exponential of a matrix.
Notes
-----
This section describes the available implementations that can be selected
by the `method` parameter. The default method is *SPS*.
Method *blockEnlarge* is a naive algorithm.
Method *SPS* is Scaling-Pade-Squaring [1]_.
It is a sophisticated implementation which should take
only about 3/8 as much time as the naive implementation.
The asymptotics are the same.
.. versionadded:: 0.13.0
References
----------
.. [1] Awad H. Al-Mohy and Nicholas J. Higham (2009)
Computing the Frechet Derivative of the Matrix Exponential,
with an application to Condition Number Estimation.
SIAM Journal On Matrix Analysis and Applications.,
30 (4). pp. 1639-1657. ISSN 1095-7162
Examples
--------
>>> import scipy.linalg
>>> A = np.random.randn(3, 3)
>>> E = np.random.randn(3, 3)
>>> expm_A, expm_frechet_AE = scipy.linalg.expm_frechet(A, E)
>>> expm_A.shape, expm_frechet_AE.shape
((3, 3), (3, 3))
>>> import scipy.linalg
>>> A = np.random.randn(3, 3)
>>> E = np.random.randn(3, 3)
>>> expm_A, expm_frechet_AE = scipy.linalg.expm_frechet(A, E)
>>> M = np.zeros((6, 6))
>>> M[:3, :3] = A; M[:3, 3:] = E; M[3:, 3:] = A
>>> expm_M = scipy.linalg.expm(M)
>>> np.allclose(expm_A, expm_M[:3, :3])
True
>>> np.allclose(expm_frechet_AE, expm_M[:3, 3:])
True
"""
if check_finite:
A = np.asarray_chkfinite(A)
E = np.asarray_chkfinite(E)
else:
A = np.asarray(A)
E = np.asarray(E)
if A.ndim != 2 or A.shape[0] != A.shape[1]:
raise ValueError('expected A to be a square matrix')
if E.ndim != 2 or E.shape[0] != E.shape[1]:
raise ValueError('expected E to be a square matrix')
if A.shape != E.shape:
raise ValueError('expected A and E to be the same shape')
if method is None:
method = 'SPS'
if method == 'SPS':
expm_A, expm_frechet_AE = expm_frechet_algo_64(A, E)
elif method == 'blockEnlarge':
expm_A, expm_frechet_AE = expm_frechet_block_enlarge(A, E)
else:
raise ValueError('Unknown implementation %s' % method)
if compute_expm:
return expm_A, expm_frechet_AE
else:
return expm_frechet_AE
def expm_frechet_block_enlarge(A, E):
"""
This is a helper function, mostly for testing and profiling.
Return expm(A), frechet(A, E)
"""
n = A.shape[0]
M = np.vstack([
np.hstack([A, E]),
np.hstack([np.zeros_like(A), A])])
expm_M = scipy.linalg.expm(M)
return expm_M[:n, :n], expm_M[:n, n:]
"""
Maximal values ell_m of ||2**-s A|| such that the backward error bound
does not exceed 2**-53.
"""
ell_table_61 = (
None,
# 1
2.11e-8,
3.56e-4,
1.08e-2,
6.49e-2,
2.00e-1,
4.37e-1,
7.83e-1,
1.23e0,
1.78e0,
2.42e0,
# 11
3.13e0,
3.90e0,
4.74e0,
5.63e0,
6.56e0,
7.52e0,
8.53e0,
9.56e0,
1.06e1,
1.17e1,
)
# The b vectors and U and V are copypasted
# from scipy.sparse.linalg.matfuncs.py.
# M, Lu, Lv follow (6.11), (6.12), (6.13), (3.3)
def _diff_pade3(A, E, ident):
b = (120., 60., 12., 1.)
A2 = A.dot(A)
M2 = np.dot(A, E) + np.dot(E, A)
U = A.dot(b[3]*A2 + b[1]*ident)
V = b[2]*A2 + b[0]*ident
Lu = A.dot(b[3]*M2) + E.dot(b[3]*A2 + b[1]*ident)
Lv = b[2]*M2
return U, V, Lu, Lv
def _diff_pade5(A, E, ident):
b = (30240., 15120., 3360., 420., 30., 1.)
A2 = A.dot(A)
M2 = np.dot(A, E) + np.dot(E, A)
A4 = np.dot(A2, A2)
M4 = np.dot(A2, M2) + np.dot(M2, A2)
U = A.dot(b[5]*A4 + b[3]*A2 + b[1]*ident)
V = b[4]*A4 + b[2]*A2 + b[0]*ident
Lu = (A.dot(b[5]*M4 + b[3]*M2) +
E.dot(b[5]*A4 + b[3]*A2 + b[1]*ident))
Lv = b[4]*M4 + b[2]*M2
return U, V, Lu, Lv
def _diff_pade7(A, E, ident):
b = (17297280., 8648640., 1995840., 277200., 25200., 1512., 56., 1.)
A2 = A.dot(A)
M2 = np.dot(A, E) + np.dot(E, A)
A4 = np.dot(A2, A2)
M4 = np.dot(A2, M2) + np.dot(M2, A2)
A6 = np.dot(A2, A4)
M6 = np.dot(A4, M2) + np.dot(M4, A2)
U = A.dot(b[7]*A6 + b[5]*A4 + b[3]*A2 + b[1]*ident)
V = b[6]*A6 + b[4]*A4 + b[2]*A2 + b[0]*ident
Lu = (A.dot(b[7]*M6 + b[5]*M4 + b[3]*M2) +
E.dot(b[7]*A6 + b[5]*A4 + b[3]*A2 + b[1]*ident))
Lv = b[6]*M6 + b[4]*M4 + b[2]*M2
return U, V, Lu, Lv
def _diff_pade9(A, E, ident):
b = (17643225600., 8821612800., 2075673600., 302702400., 30270240.,
2162160., 110880., 3960., 90., 1.)
A2 = A.dot(A)
M2 = np.dot(A, E) + np.dot(E, A)
A4 = np.dot(A2, A2)
M4 = np.dot(A2, M2) + np.dot(M2, A2)
A6 = np.dot(A2, A4)
M6 = np.dot(A4, M2) + np.dot(M4, A2)
A8 = np.dot(A4, A4)
M8 = np.dot(A4, M4) + np.dot(M4, A4)
U = A.dot(b[9]*A8 + b[7]*A6 + b[5]*A4 + b[3]*A2 + b[1]*ident)
V = b[8]*A8 + b[6]*A6 + b[4]*A4 + b[2]*A2 + b[0]*ident
Lu = (A.dot(b[9]*M8 + b[7]*M6 + b[5]*M4 + b[3]*M2) +
E.dot(b[9]*A8 + b[7]*A6 + b[5]*A4 + b[3]*A2 + b[1]*ident))
Lv = b[8]*M8 + b[6]*M6 + b[4]*M4 + b[2]*M2
return U, V, Lu, Lv
def expm_frechet_algo_64(A, E):
n = A.shape[0]
s = None
ident = np.identity(n)
A_norm_1 = scipy.linalg.norm(A, 1)
m_pade_pairs = (
(3, _diff_pade3),
(5, _diff_pade5),
(7, _diff_pade7),
(9, _diff_pade9))
for m, pade in m_pade_pairs:
if A_norm_1 <= ell_table_61[m]:
U, V, Lu, Lv = pade(A, E, ident)
s = 0
break
if s is None:
# scaling
s = max(0, int(np.ceil(np.log2(A_norm_1 / ell_table_61[13]))))
A = A * 2.0**-s
E = E * 2.0**-s
# pade order 13
A2 = np.dot(A, A)
M2 = np.dot(A, E) + np.dot(E, A)
A4 = np.dot(A2, A2)
M4 = np.dot(A2, M2) + np.dot(M2, A2)
A6 = np.dot(A2, A4)
M6 = np.dot(A4, M2) + np.dot(M4, A2)
b = (64764752532480000., 32382376266240000., 7771770303897600.,
1187353796428800., 129060195264000., 10559470521600.,
670442572800., 33522128640., 1323241920., 40840800., 960960.,
16380., 182., 1.)
W1 = b[13]*A6 + b[11]*A4 + b[9]*A2
W2 = b[7]*A6 + b[5]*A4 + b[3]*A2 + b[1]*ident
Z1 = b[12]*A6 + b[10]*A4 + b[8]*A2
Z2 = b[6]*A6 + b[4]*A4 + b[2]*A2 + b[0]*ident
W = np.dot(A6, W1) + W2
U = np.dot(A, W)
V = np.dot(A6, Z1) + Z2
Lw1 = b[13]*M6 + b[11]*M4 + b[9]*M2
Lw2 = b[7]*M6 + b[5]*M4 + b[3]*M2
Lz1 = b[12]*M6 + b[10]*M4 + b[8]*M2
Lz2 = b[6]*M6 + b[4]*M4 + b[2]*M2
Lw = np.dot(A6, Lw1) + np.dot(M6, W1) + Lw2
Lu = np.dot(A, Lw) + np.dot(E, W)
Lv = np.dot(A6, Lz1) + np.dot(M6, Z1) + Lz2
# factor once and solve twice
lu_piv = scipy.linalg.lu_factor(-U + V)
R = scipy.linalg.lu_solve(lu_piv, U + V)
L = scipy.linalg.lu_solve(lu_piv, Lu + Lv + np.dot((Lu - Lv), R))
# squaring
for k in range(s):
L = np.dot(R, L) + np.dot(L, R)
R = np.dot(R, R)
return R, L
def vec(M):
"""
Stack columns of M to construct a single vector.
This is somewhat standard notation in linear algebra.
Parameters
----------
M : 2-D array_like
Input matrix
Returns
-------
v : 1-D ndarray
Output vector
"""
return M.T.ravel()
def expm_frechet_kronform(A, method=None, check_finite=True):
"""
Construct the Kronecker form of the Frechet derivative of expm.
Parameters
----------
A : array_like with shape (N, N)
Matrix to be expm'd.
method : str, optional
Extra keyword to be passed to expm_frechet.
check_finite : bool, optional
Whether to check that the input matrix contains only finite numbers.
Disabling may give a performance gain, but may result in problems
(crashes, non-termination) if the inputs do contain infinities or NaNs.
Returns
-------
K : 2-D ndarray with shape (N*N, N*N)
Kronecker form of the Frechet derivative of the matrix exponential.
Notes
-----
This function is used to help compute the condition number
of the matrix exponential.
See also
--------
expm : Compute a matrix exponential.
expm_frechet : Compute the Frechet derivative of the matrix exponential.
expm_cond : Compute the relative condition number of the matrix exponential
in the Frobenius norm.
"""
if check_finite:
A = np.asarray_chkfinite(A)
else:
A = np.asarray(A)
if len(A.shape) != 2 or A.shape[0] != A.shape[1]:
raise ValueError('expected a square matrix')
n = A.shape[0]
ident = np.identity(n)
cols = []
for i in range(n):
for j in range(n):
E = np.outer(ident[i], ident[j])
F = expm_frechet(A, E,
method=method, compute_expm=False, check_finite=False)
cols.append(vec(F))
return np.vstack(cols).T
def expm_cond(A, check_finite=True):
"""
Relative condition number of the matrix exponential in the Frobenius norm.
Parameters
----------
A : 2-D array_like
Square input matrix with shape (N, N).
check_finite : bool, optional
Whether to check that the input matrix contains only finite numbers.
Disabling may give a performance gain, but may result in problems
(crashes, non-termination) if the inputs do contain infinities or NaNs.
Returns
-------
kappa : float
The relative condition number of the matrix exponential
in the Frobenius norm
Notes
-----
A faster estimate for the condition number in the 1-norm
has been published but is not yet implemented in SciPy.
.. versionadded:: 0.14.0
See also
--------
expm : Compute the exponential of a matrix.
expm_frechet : Compute the Frechet derivative of the matrix exponential.
Examples
--------
>>> from scipy.linalg import expm_cond
>>> A = np.array([[-0.3, 0.2, 0.6], [0.6, 0.3, -0.1], [-0.7, 1.2, 0.9]])
>>> k = expm_cond(A)
>>> k
1.7787805864469866
"""
if check_finite:
A = np.asarray_chkfinite(A)
else:
A = np.asarray(A)
if len(A.shape) != 2 or A.shape[0] != A.shape[1]:
raise ValueError('expected a square matrix')
X = scipy.linalg.expm(A)
K = expm_frechet_kronform(A, check_finite=False)
# The following norm choices are deliberate.
# The norms of A and X are Frobenius norms,
# and the norm of K is the induced 2-norm.
A_norm = scipy.linalg.norm(A, 'fro')
X_norm = scipy.linalg.norm(X, 'fro')
K_norm = scipy.linalg.norm(K, 2)
kappa = (K_norm * A_norm) / X_norm
return kappa