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arpack.py
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arpack.py
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"""
Find a few eigenvectors and eigenvalues of a matrix.
Uses ARPACK: https://github.com/opencollab/arpack-ng
"""
# Wrapper implementation notes
#
# ARPACK Entry Points
# -------------------
# The entry points to ARPACK are
# - (s,d)seupd : single and double precision symmetric matrix
# - (s,d,c,z)neupd: single,double,complex,double complex general matrix
# This wrapper puts the *neupd (general matrix) interfaces in eigs()
# and the *seupd (symmetric matrix) in eigsh().
# There is no specialized interface for complex Hermitian matrices.
# To find eigenvalues of a complex Hermitian matrix you
# may use eigsh(), but eigsh() will simply call eigs()
# and return the real part of the eigenvalues thus obtained.
# Number of eigenvalues returned and complex eigenvalues
# ------------------------------------------------------
# The ARPACK nonsymmetric real and double interface (s,d)naupd return
# eigenvalues and eigenvectors in real (float,double) arrays.
# Since the eigenvalues and eigenvectors are, in general, complex
# ARPACK puts the real and imaginary parts in consecutive entries
# in real-valued arrays. This wrapper puts the real entries
# into complex data types and attempts to return the requested eigenvalues
# and eigenvectors.
# Solver modes
# ------------
# ARPACK and handle shifted and shift-inverse computations
# for eigenvalues by providing a shift (sigma) and a solver.
import numpy as np
import warnings
from scipy.sparse.linalg._interface import aslinearoperator, LinearOperator
from scipy.sparse import eye, issparse
from scipy.linalg import eig, eigh, lu_factor, lu_solve
from scipy.sparse._sputils import isdense, is_pydata_spmatrix
from scipy.sparse.linalg import gmres, splu
from scipy._lib._util import _aligned_zeros
from scipy._lib._threadsafety import ReentrancyLock
from . import _arpack
arpack_int = _arpack.timing.nbx.dtype
__docformat__ = "restructuredtext en"
__all__ = ['eigs', 'eigsh', 'ArpackError', 'ArpackNoConvergence']
_type_conv = {'f': 's', 'd': 'd', 'F': 'c', 'D': 'z'}
_ndigits = {'f': 5, 'd': 12, 'F': 5, 'D': 12}
DNAUPD_ERRORS = {
0: "Normal exit.",
1: "Maximum number of iterations taken. "
"All possible eigenvalues of OP has been found. IPARAM(5) "
"returns the number of wanted converged Ritz values.",
2: "No longer an informational error. Deprecated starting "
"with release 2 of ARPACK.",
3: "No shifts could be applied during a cycle of the "
"Implicitly restarted Arnoldi iteration. One possibility "
"is to increase the size of NCV relative to NEV. ",
-1: "N must be positive.",
-2: "NEV must be positive.",
-3: "NCV-NEV >= 2 and less than or equal to N.",
-4: "The maximum number of Arnoldi update iterations allowed "
"must be greater than zero.",
-5: " WHICH must be one of 'LM', 'SM', 'LR', 'SR', 'LI', 'SI'",
-6: "BMAT must be one of 'I' or 'G'.",
-7: "Length of private work array WORKL is not sufficient.",
-8: "Error return from LAPACK eigenvalue calculation;",
-9: "Starting vector is zero.",
-10: "IPARAM(7) must be 1,2,3,4.",
-11: "IPARAM(7) = 1 and BMAT = 'G' are incompatible.",
-12: "IPARAM(1) must be equal to 0 or 1.",
-13: "NEV and WHICH = 'BE' are incompatible.",
-9999: "Could not build an Arnoldi factorization. "
"IPARAM(5) returns the size of the current Arnoldi "
"factorization. The user is advised to check that "
"enough workspace and array storage has been allocated."
}
SNAUPD_ERRORS = DNAUPD_ERRORS
ZNAUPD_ERRORS = DNAUPD_ERRORS.copy()
ZNAUPD_ERRORS[-10] = "IPARAM(7) must be 1,2,3."
CNAUPD_ERRORS = ZNAUPD_ERRORS
DSAUPD_ERRORS = {
0: "Normal exit.",
1: "Maximum number of iterations taken. "
"All possible eigenvalues of OP has been found.",
2: "No longer an informational error. Deprecated starting with "
"release 2 of ARPACK.",
3: "No shifts could be applied during a cycle of the Implicitly "
"restarted Arnoldi iteration. One possibility is to increase "
"the size of NCV relative to NEV. ",
-1: "N must be positive.",
-2: "NEV must be positive.",
-3: "NCV must be greater than NEV and less than or equal to N.",
-4: "The maximum number of Arnoldi update iterations allowed "
"must be greater than zero.",
-5: "WHICH must be one of 'LM', 'SM', 'LA', 'SA' or 'BE'.",
-6: "BMAT must be one of 'I' or 'G'.",
-7: "Length of private work array WORKL is not sufficient.",
-8: "Error return from trid. eigenvalue calculation; "
"Informational error from LAPACK routine dsteqr .",
-9: "Starting vector is zero.",
-10: "IPARAM(7) must be 1,2,3,4,5.",
-11: "IPARAM(7) = 1 and BMAT = 'G' are incompatible.",
-12: "IPARAM(1) must be equal to 0 or 1.",
-13: "NEV and WHICH = 'BE' are incompatible. ",
-9999: "Could not build an Arnoldi factorization. "
"IPARAM(5) returns the size of the current Arnoldi "
"factorization. The user is advised to check that "
"enough workspace and array storage has been allocated.",
}
SSAUPD_ERRORS = DSAUPD_ERRORS
DNEUPD_ERRORS = {
0: "Normal exit.",
1: "The Schur form computed by LAPACK routine dlahqr "
"could not be reordered by LAPACK routine dtrsen. "
"Re-enter subroutine dneupd with IPARAM(5)NCV and "
"increase the size of the arrays DR and DI to have "
"dimension at least dimension NCV and allocate at least NCV "
"columns for Z. NOTE: Not necessary if Z and V share "
"the same space. Please notify the authors if this error"
"occurs.",
-1: "N must be positive.",
-2: "NEV must be positive.",
-3: "NCV-NEV >= 2 and less than or equal to N.",
-5: "WHICH must be one of 'LM', 'SM', 'LR', 'SR', 'LI', 'SI'",
-6: "BMAT must be one of 'I' or 'G'.",
-7: "Length of private work WORKL array is not sufficient.",
-8: "Error return from calculation of a real Schur form. "
"Informational error from LAPACK routine dlahqr .",
-9: "Error return from calculation of eigenvectors. "
"Informational error from LAPACK routine dtrevc.",
-10: "IPARAM(7) must be 1,2,3,4.",
-11: "IPARAM(7) = 1 and BMAT = 'G' are incompatible.",
-12: "HOWMNY = 'S' not yet implemented",
-13: "HOWMNY must be one of 'A' or 'P' if RVEC = .true.",
-14: "DNAUPD did not find any eigenvalues to sufficient "
"accuracy.",
-15: "DNEUPD got a different count of the number of converged "
"Ritz values than DNAUPD got. This indicates the user "
"probably made an error in passing data from DNAUPD to "
"DNEUPD or that the data was modified before entering "
"DNEUPD",
}
SNEUPD_ERRORS = DNEUPD_ERRORS.copy()
SNEUPD_ERRORS[1] = ("The Schur form computed by LAPACK routine slahqr "
"could not be reordered by LAPACK routine strsen . "
"Re-enter subroutine dneupd with IPARAM(5)=NCV and "
"increase the size of the arrays DR and DI to have "
"dimension at least dimension NCV and allocate at least "
"NCV columns for Z. NOTE: Not necessary if Z and V share "
"the same space. Please notify the authors if this error "
"occurs.")
SNEUPD_ERRORS[-14] = ("SNAUPD did not find any eigenvalues to sufficient "
"accuracy.")
SNEUPD_ERRORS[-15] = ("SNEUPD got a different count of the number of "
"converged Ritz values than SNAUPD got. This indicates "
"the user probably made an error in passing data from "
"SNAUPD to SNEUPD or that the data was modified before "
"entering SNEUPD")
ZNEUPD_ERRORS = {0: "Normal exit.",
1: "The Schur form computed by LAPACK routine csheqr "
"could not be reordered by LAPACK routine ztrsen. "
"Re-enter subroutine zneupd with IPARAM(5)=NCV and "
"increase the size of the array D to have "
"dimension at least dimension NCV and allocate at least "
"NCV columns for Z. NOTE: Not necessary if Z and V share "
"the same space. Please notify the authors if this error "
"occurs.",
-1: "N must be positive.",
-2: "NEV must be positive.",
-3: "NCV-NEV >= 1 and less than or equal to N.",
-5: "WHICH must be one of 'LM', 'SM', 'LR', 'SR', 'LI', 'SI'",
-6: "BMAT must be one of 'I' or 'G'.",
-7: "Length of private work WORKL array is not sufficient.",
-8: "Error return from LAPACK eigenvalue calculation. "
"This should never happened.",
-9: "Error return from calculation of eigenvectors. "
"Informational error from LAPACK routine ztrevc.",
-10: "IPARAM(7) must be 1,2,3",
-11: "IPARAM(7) = 1 and BMAT = 'G' are incompatible.",
-12: "HOWMNY = 'S' not yet implemented",
-13: "HOWMNY must be one of 'A' or 'P' if RVEC = .true.",
-14: "ZNAUPD did not find any eigenvalues to sufficient "
"accuracy.",
-15: "ZNEUPD got a different count of the number of "
"converged Ritz values than ZNAUPD got. This "
"indicates the user probably made an error in passing "
"data from ZNAUPD to ZNEUPD or that the data was "
"modified before entering ZNEUPD"
}
CNEUPD_ERRORS = ZNEUPD_ERRORS.copy()
CNEUPD_ERRORS[-14] = ("CNAUPD did not find any eigenvalues to sufficient "
"accuracy.")
CNEUPD_ERRORS[-15] = ("CNEUPD got a different count of the number of "
"converged Ritz values than CNAUPD got. This indicates "
"the user probably made an error in passing data from "
"CNAUPD to CNEUPD or that the data was modified before "
"entering CNEUPD")
DSEUPD_ERRORS = {
0: "Normal exit.",
-1: "N must be positive.",
-2: "NEV must be positive.",
-3: "NCV must be greater than NEV and less than or equal to N.",
-5: "WHICH must be one of 'LM', 'SM', 'LA', 'SA' or 'BE'.",
-6: "BMAT must be one of 'I' or 'G'.",
-7: "Length of private work WORKL array is not sufficient.",
-8: ("Error return from trid. eigenvalue calculation; "
"Information error from LAPACK routine dsteqr."),
-9: "Starting vector is zero.",
-10: "IPARAM(7) must be 1,2,3,4,5.",
-11: "IPARAM(7) = 1 and BMAT = 'G' are incompatible.",
-12: "NEV and WHICH = 'BE' are incompatible.",
-14: "DSAUPD did not find any eigenvalues to sufficient accuracy.",
-15: "HOWMNY must be one of 'A' or 'S' if RVEC = .true.",
-16: "HOWMNY = 'S' not yet implemented",
-17: ("DSEUPD got a different count of the number of converged "
"Ritz values than DSAUPD got. This indicates the user "
"probably made an error in passing data from DSAUPD to "
"DSEUPD or that the data was modified before entering "
"DSEUPD.")
}
SSEUPD_ERRORS = DSEUPD_ERRORS.copy()
SSEUPD_ERRORS[-14] = ("SSAUPD did not find any eigenvalues "
"to sufficient accuracy.")
SSEUPD_ERRORS[-17] = ("SSEUPD got a different count of the number of "
"converged "
"Ritz values than SSAUPD got. This indicates the user "
"probably made an error in passing data from SSAUPD to "
"SSEUPD or that the data was modified before entering "
"SSEUPD.")
_SAUPD_ERRORS = {'d': DSAUPD_ERRORS,
's': SSAUPD_ERRORS}
_NAUPD_ERRORS = {'d': DNAUPD_ERRORS,
's': SNAUPD_ERRORS,
'z': ZNAUPD_ERRORS,
'c': CNAUPD_ERRORS}
_SEUPD_ERRORS = {'d': DSEUPD_ERRORS,
's': SSEUPD_ERRORS}
_NEUPD_ERRORS = {'d': DNEUPD_ERRORS,
's': SNEUPD_ERRORS,
'z': ZNEUPD_ERRORS,
'c': CNEUPD_ERRORS}
# accepted values of parameter WHICH in _SEUPD
_SEUPD_WHICH = ['LM', 'SM', 'LA', 'SA', 'BE']
# accepted values of parameter WHICH in _NAUPD
_NEUPD_WHICH = ['LM', 'SM', 'LR', 'SR', 'LI', 'SI']
class ArpackError(RuntimeError):
"""
ARPACK error
"""
def __init__(self, info, infodict=_NAUPD_ERRORS):
msg = infodict.get(info, "Unknown error")
RuntimeError.__init__(self, "ARPACK error %d: %s" % (info, msg))
class ArpackNoConvergence(ArpackError):
"""
ARPACK iteration did not converge
Attributes
----------
eigenvalues : ndarray
Partial result. Converged eigenvalues.
eigenvectors : ndarray
Partial result. Converged eigenvectors.
"""
def __init__(self, msg, eigenvalues, eigenvectors):
ArpackError.__init__(self, -1, {-1: msg})
self.eigenvalues = eigenvalues
self.eigenvectors = eigenvectors
def choose_ncv(k):
"""
Choose number of lanczos vectors based on target number
of singular/eigen values and vectors to compute, k.
"""
return max(2 * k + 1, 20)
class _ArpackParams:
def __init__(self, n, k, tp, mode=1, sigma=None,
ncv=None, v0=None, maxiter=None, which="LM", tol=0):
if k <= 0:
raise ValueError("k must be positive, k=%d" % k)
if maxiter is None:
maxiter = n * 10
if maxiter <= 0:
raise ValueError("maxiter must be positive, maxiter=%d" % maxiter)
if tp not in 'fdFD':
raise ValueError("matrix type must be 'f', 'd', 'F', or 'D'")
if v0 is not None:
# ARPACK overwrites its initial resid, make a copy
self.resid = np.array(v0, copy=True)
info = 1
else:
# ARPACK will use a random initial vector.
self.resid = np.zeros(n, tp)
info = 0
if sigma is None:
#sigma not used
self.sigma = 0
else:
self.sigma = sigma
if ncv is None:
ncv = choose_ncv(k)
ncv = min(ncv, n)
self.v = np.zeros((n, ncv), tp) # holds Ritz vectors
self.iparam = np.zeros(11, arpack_int)
# set solver mode and parameters
ishfts = 1
self.mode = mode
self.iparam[0] = ishfts
self.iparam[2] = maxiter
self.iparam[3] = 1
self.iparam[6] = mode
self.n = n
self.tol = tol
self.k = k
self.maxiter = maxiter
self.ncv = ncv
self.which = which
self.tp = tp
self.info = info
self.converged = False
self.ido = 0
def _raise_no_convergence(self):
msg = "No convergence (%d iterations, %d/%d eigenvectors converged)"
k_ok = self.iparam[4]
num_iter = self.iparam[2]
try:
ev, vec = self.extract(True)
except ArpackError as err:
msg = f"{msg} [{err}]"
ev = np.zeros((0,))
vec = np.zeros((self.n, 0))
k_ok = 0
raise ArpackNoConvergence(msg % (num_iter, k_ok, self.k), ev, vec)
class _SymmetricArpackParams(_ArpackParams):
def __init__(self, n, k, tp, matvec, mode=1, M_matvec=None,
Minv_matvec=None, sigma=None,
ncv=None, v0=None, maxiter=None, which="LM", tol=0):
# The following modes are supported:
# mode = 1:
# Solve the standard eigenvalue problem:
# A*x = lambda*x :
# A - symmetric
# Arguments should be
# matvec = left multiplication by A
# M_matvec = None [not used]
# Minv_matvec = None [not used]
#
# mode = 2:
# Solve the general eigenvalue problem:
# A*x = lambda*M*x
# A - symmetric
# M - symmetric positive definite
# Arguments should be
# matvec = left multiplication by A
# M_matvec = left multiplication by M
# Minv_matvec = left multiplication by M^-1
#
# mode = 3:
# Solve the general eigenvalue problem in shift-invert mode:
# A*x = lambda*M*x
# A - symmetric
# M - symmetric positive semi-definite
# Arguments should be
# matvec = None [not used]
# M_matvec = left multiplication by M
# or None, if M is the identity
# Minv_matvec = left multiplication by [A-sigma*M]^-1
#
# mode = 4:
# Solve the general eigenvalue problem in Buckling mode:
# A*x = lambda*AG*x
# A - symmetric positive semi-definite
# AG - symmetric indefinite
# Arguments should be
# matvec = left multiplication by A
# M_matvec = None [not used]
# Minv_matvec = left multiplication by [A-sigma*AG]^-1
#
# mode = 5:
# Solve the general eigenvalue problem in Cayley-transformed mode:
# A*x = lambda*M*x
# A - symmetric
# M - symmetric positive semi-definite
# Arguments should be
# matvec = left multiplication by A
# M_matvec = left multiplication by M
# or None, if M is the identity
# Minv_matvec = left multiplication by [A-sigma*M]^-1
if mode == 1:
if matvec is None:
raise ValueError("matvec must be specified for mode=1")
if M_matvec is not None:
raise ValueError("M_matvec cannot be specified for mode=1")
if Minv_matvec is not None:
raise ValueError("Minv_matvec cannot be specified for mode=1")
self.OP = matvec
self.B = lambda x: x
self.bmat = 'I'
elif mode == 2:
if matvec is None:
raise ValueError("matvec must be specified for mode=2")
if M_matvec is None:
raise ValueError("M_matvec must be specified for mode=2")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified for mode=2")
self.OP = lambda x: Minv_matvec(matvec(x))
self.OPa = Minv_matvec
self.OPb = matvec
self.B = M_matvec
self.bmat = 'G'
elif mode == 3:
if matvec is not None:
raise ValueError("matvec must not be specified for mode=3")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified for mode=3")
if M_matvec is None:
self.OP = Minv_matvec
self.OPa = Minv_matvec
self.B = lambda x: x
self.bmat = 'I'
else:
self.OP = lambda x: Minv_matvec(M_matvec(x))
self.OPa = Minv_matvec
self.B = M_matvec
self.bmat = 'G'
elif mode == 4:
if matvec is None:
raise ValueError("matvec must be specified for mode=4")
if M_matvec is not None:
raise ValueError("M_matvec must not be specified for mode=4")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified for mode=4")
self.OPa = Minv_matvec
self.OP = lambda x: self.OPa(matvec(x))
self.B = matvec
self.bmat = 'G'
elif mode == 5:
if matvec is None:
raise ValueError("matvec must be specified for mode=5")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified for mode=5")
self.OPa = Minv_matvec
self.A_matvec = matvec
if M_matvec is None:
self.OP = lambda x: Minv_matvec(matvec(x) + sigma * x)
self.B = lambda x: x
self.bmat = 'I'
else:
self.OP = lambda x: Minv_matvec(matvec(x)
+ sigma * M_matvec(x))
self.B = M_matvec
self.bmat = 'G'
else:
raise ValueError("mode=%i not implemented" % mode)
if which not in _SEUPD_WHICH:
raise ValueError("which must be one of %s"
% ' '.join(_SEUPD_WHICH))
if k >= n:
raise ValueError("k must be less than ndim(A), k=%d" % k)
_ArpackParams.__init__(self, n, k, tp, mode, sigma,
ncv, v0, maxiter, which, tol)
if self.ncv > n or self.ncv <= k:
raise ValueError("ncv must be k<ncv<=n, ncv=%s" % self.ncv)
# Use _aligned_zeros to work around a f2py bug in Numpy 1.9.1
self.workd = _aligned_zeros(3 * n, self.tp)
self.workl = _aligned_zeros(self.ncv * (self.ncv + 8), self.tp)
ltr = _type_conv[self.tp]
if ltr not in ["s", "d"]:
raise ValueError("Input matrix is not real-valued.")
self._arpack_solver = _arpack.__dict__[ltr + 'saupd']
self._arpack_extract = _arpack.__dict__[ltr + 'seupd']
self.iterate_infodict = _SAUPD_ERRORS[ltr]
self.extract_infodict = _SEUPD_ERRORS[ltr]
self.ipntr = np.zeros(11, arpack_int)
def iterate(self):
self.ido, self.tol, self.resid, self.v, self.iparam, self.ipntr, self.info = \
self._arpack_solver(self.ido, self.bmat, self.which, self.k,
self.tol, self.resid, self.v, self.iparam,
self.ipntr, self.workd, self.workl, self.info)
xslice = slice(self.ipntr[0] - 1, self.ipntr[0] - 1 + self.n)
yslice = slice(self.ipntr[1] - 1, self.ipntr[1] - 1 + self.n)
if self.ido == -1:
# initialization
self.workd[yslice] = self.OP(self.workd[xslice])
elif self.ido == 1:
# compute y = Op*x
if self.mode == 1:
self.workd[yslice] = self.OP(self.workd[xslice])
elif self.mode == 2:
self.workd[xslice] = self.OPb(self.workd[xslice])
self.workd[yslice] = self.OPa(self.workd[xslice])
elif self.mode == 5:
Bxslice = slice(self.ipntr[2] - 1, self.ipntr[2] - 1 + self.n)
Ax = self.A_matvec(self.workd[xslice])
self.workd[yslice] = self.OPa(Ax + (self.sigma *
self.workd[Bxslice]))
else:
Bxslice = slice(self.ipntr[2] - 1, self.ipntr[2] - 1 + self.n)
self.workd[yslice] = self.OPa(self.workd[Bxslice])
elif self.ido == 2:
self.workd[yslice] = self.B(self.workd[xslice])
elif self.ido == 3:
raise ValueError("ARPACK requested user shifts. Assure ISHIFT==0")
else:
self.converged = True
if self.info == 0:
pass
elif self.info == 1:
self._raise_no_convergence()
else:
raise ArpackError(self.info, infodict=self.iterate_infodict)
def extract(self, return_eigenvectors):
rvec = return_eigenvectors
ierr = 0
howmny = 'A' # return all eigenvectors
sselect = np.zeros(self.ncv, 'int') # unused
d, z, ierr = self._arpack_extract(rvec, howmny, sselect, self.sigma,
self.bmat, self.which, self.k,
self.tol, self.resid, self.v,
self.iparam[0:7], self.ipntr,
self.workd[0:2 * self.n],
self.workl, ierr)
if ierr != 0:
raise ArpackError(ierr, infodict=self.extract_infodict)
k_ok = self.iparam[4]
d = d[:k_ok]
z = z[:, :k_ok]
if return_eigenvectors:
return d, z
else:
return d
class _UnsymmetricArpackParams(_ArpackParams):
def __init__(self, n, k, tp, matvec, mode=1, M_matvec=None,
Minv_matvec=None, sigma=None,
ncv=None, v0=None, maxiter=None, which="LM", tol=0):
# The following modes are supported:
# mode = 1:
# Solve the standard eigenvalue problem:
# A*x = lambda*x
# A - square matrix
# Arguments should be
# matvec = left multiplication by A
# M_matvec = None [not used]
# Minv_matvec = None [not used]
#
# mode = 2:
# Solve the generalized eigenvalue problem:
# A*x = lambda*M*x
# A - square matrix
# M - symmetric, positive semi-definite
# Arguments should be
# matvec = left multiplication by A
# M_matvec = left multiplication by M
# Minv_matvec = left multiplication by M^-1
#
# mode = 3,4:
# Solve the general eigenvalue problem in shift-invert mode:
# A*x = lambda*M*x
# A - square matrix
# M - symmetric, positive semi-definite
# Arguments should be
# matvec = None [not used]
# M_matvec = left multiplication by M
# or None, if M is the identity
# Minv_matvec = left multiplication by [A-sigma*M]^-1
# if A is real and mode==3, use the real part of Minv_matvec
# if A is real and mode==4, use the imag part of Minv_matvec
# if A is complex and mode==3,
# use real and imag parts of Minv_matvec
if mode == 1:
if matvec is None:
raise ValueError("matvec must be specified for mode=1")
if M_matvec is not None:
raise ValueError("M_matvec cannot be specified for mode=1")
if Minv_matvec is not None:
raise ValueError("Minv_matvec cannot be specified for mode=1")
self.OP = matvec
self.B = lambda x: x
self.bmat = 'I'
elif mode == 2:
if matvec is None:
raise ValueError("matvec must be specified for mode=2")
if M_matvec is None:
raise ValueError("M_matvec must be specified for mode=2")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified for mode=2")
self.OP = lambda x: Minv_matvec(matvec(x))
self.OPa = Minv_matvec
self.OPb = matvec
self.B = M_matvec
self.bmat = 'G'
elif mode in (3, 4):
if matvec is None:
raise ValueError("matvec must be specified "
"for mode in (3,4)")
if Minv_matvec is None:
raise ValueError("Minv_matvec must be specified "
"for mode in (3,4)")
self.matvec = matvec
if tp in 'DF': # complex type
if mode == 3:
self.OPa = Minv_matvec
else:
raise ValueError("mode=4 invalid for complex A")
else: # real type
if mode == 3:
self.OPa = lambda x: np.real(Minv_matvec(x))
else:
self.OPa = lambda x: np.imag(Minv_matvec(x))
if M_matvec is None:
self.B = lambda x: x
self.bmat = 'I'
self.OP = self.OPa
else:
self.B = M_matvec
self.bmat = 'G'
self.OP = lambda x: self.OPa(M_matvec(x))
else:
raise ValueError("mode=%i not implemented" % mode)
if which not in _NEUPD_WHICH:
raise ValueError("Parameter which must be one of %s"
% ' '.join(_NEUPD_WHICH))
if k >= n - 1:
raise ValueError("k must be less than ndim(A)-1, k=%d" % k)
_ArpackParams.__init__(self, n, k, tp, mode, sigma,
ncv, v0, maxiter, which, tol)
if self.ncv > n or self.ncv <= k + 1:
raise ValueError("ncv must be k+1<ncv<=n, ncv=%s" % self.ncv)
# Use _aligned_zeros to work around a f2py bug in Numpy 1.9.1
self.workd = _aligned_zeros(3 * n, self.tp)
self.workl = _aligned_zeros(3 * self.ncv * (self.ncv + 2), self.tp)
ltr = _type_conv[self.tp]
self._arpack_solver = _arpack.__dict__[ltr + 'naupd']
self._arpack_extract = _arpack.__dict__[ltr + 'neupd']
self.iterate_infodict = _NAUPD_ERRORS[ltr]
self.extract_infodict = _NEUPD_ERRORS[ltr]
self.ipntr = np.zeros(14, arpack_int)
if self.tp in 'FD':
# Use _aligned_zeros to work around a f2py bug in Numpy 1.9.1
self.rwork = _aligned_zeros(self.ncv, self.tp.lower())
else:
self.rwork = None
def iterate(self):
if self.tp in 'fd':
self.ido, self.tol, self.resid, self.v, self.iparam, self.ipntr, self.info =\
self._arpack_solver(self.ido, self.bmat, self.which, self.k,
self.tol, self.resid, self.v, self.iparam,
self.ipntr, self.workd, self.workl,
self.info)
else:
self.ido, self.tol, self.resid, self.v, self.iparam, self.ipntr, self.info =\
self._arpack_solver(self.ido, self.bmat, self.which, self.k,
self.tol, self.resid, self.v, self.iparam,
self.ipntr, self.workd, self.workl,
self.rwork, self.info)
xslice = slice(self.ipntr[0] - 1, self.ipntr[0] - 1 + self.n)
yslice = slice(self.ipntr[1] - 1, self.ipntr[1] - 1 + self.n)
if self.ido == -1:
# initialization
self.workd[yslice] = self.OP(self.workd[xslice])
elif self.ido == 1:
# compute y = Op*x
if self.mode in (1, 2):
self.workd[yslice] = self.OP(self.workd[xslice])
else:
Bxslice = slice(self.ipntr[2] - 1, self.ipntr[2] - 1 + self.n)
self.workd[yslice] = self.OPa(self.workd[Bxslice])
elif self.ido == 2:
self.workd[yslice] = self.B(self.workd[xslice])
elif self.ido == 3:
raise ValueError("ARPACK requested user shifts. Assure ISHIFT==0")
else:
self.converged = True
if self.info == 0:
pass
elif self.info == 1:
self._raise_no_convergence()
else:
raise ArpackError(self.info, infodict=self.iterate_infodict)
def extract(self, return_eigenvectors):
k, n = self.k, self.n
ierr = 0
howmny = 'A' # return all eigenvectors
sselect = np.zeros(self.ncv, 'int') # unused
sigmar = np.real(self.sigma)
sigmai = np.imag(self.sigma)
workev = np.zeros(3 * self.ncv, self.tp)
if self.tp in 'fd':
dr = np.zeros(k + 1, self.tp)
di = np.zeros(k + 1, self.tp)
zr = np.zeros((n, k + 1), self.tp)
dr, di, zr, ierr = \
self._arpack_extract(return_eigenvectors,
howmny, sselect, sigmar, sigmai, workev,
self.bmat, self.which, k, self.tol, self.resid,
self.v, self.iparam, self.ipntr,
self.workd, self.workl, self.info)
if ierr != 0:
raise ArpackError(ierr, infodict=self.extract_infodict)
nreturned = self.iparam[4] # number of good eigenvalues returned
# Build complex eigenvalues from real and imaginary parts
d = dr + 1.0j * di
# Arrange the eigenvectors: complex eigenvectors are stored as
# real,imaginary in consecutive columns
z = zr.astype(self.tp.upper())
# The ARPACK nonsymmetric real and double interface (s,d)naupd
# return eigenvalues and eigenvectors in real (float,double)
# arrays.
# Efficiency: this should check that return_eigenvectors == True
# before going through this construction.
if sigmai == 0:
i = 0
while i <= k:
# check if complex
if abs(d[i].imag) != 0:
# this is a complex conjugate pair with eigenvalues
# in consecutive columns
if i < k:
z[:, i] = zr[:, i] + 1.0j * zr[:, i + 1]
z[:, i + 1] = z[:, i].conjugate()
i += 1
else:
#last eigenvalue is complex: the imaginary part of
# the eigenvector has not been returned
#this can only happen if nreturned > k, so we'll
# throw out this case.
nreturned -= 1
i += 1
else:
# real matrix, mode 3 or 4, imag(sigma) is nonzero:
# see remark 3 in <s,d>neupd.f
# Build complex eigenvalues from real and imaginary parts
i = 0
while i <= k:
if abs(d[i].imag) == 0:
d[i] = np.dot(zr[:, i], self.matvec(zr[:, i]))
else:
if i < k:
z[:, i] = zr[:, i] + 1.0j * zr[:, i + 1]
z[:, i + 1] = z[:, i].conjugate()
d[i] = ((np.dot(zr[:, i],
self.matvec(zr[:, i]))
+ np.dot(zr[:, i + 1],
self.matvec(zr[:, i + 1])))
+ 1j * (np.dot(zr[:, i],
self.matvec(zr[:, i + 1]))
- np.dot(zr[:, i + 1],
self.matvec(zr[:, i]))))
d[i + 1] = d[i].conj()
i += 1
else:
#last eigenvalue is complex: the imaginary part of
# the eigenvector has not been returned
#this can only happen if nreturned > k, so we'll
# throw out this case.
nreturned -= 1
i += 1
# Now we have k+1 possible eigenvalues and eigenvectors
# Return the ones specified by the keyword "which"
if nreturned <= k:
# we got less or equal as many eigenvalues we wanted
d = d[:nreturned]
z = z[:, :nreturned]
else:
# we got one extra eigenvalue (likely a cc pair, but which?)
if self.mode in (1, 2):
rd = d
elif self.mode in (3, 4):
rd = 1 / (d - self.sigma)
if self.which in ['LR', 'SR']:
ind = np.argsort(rd.real)
elif self.which in ['LI', 'SI']:
# for LI,SI ARPACK returns largest,smallest
# abs(imaginary) (complex pairs come together)
ind = np.argsort(abs(rd.imag))
else:
ind = np.argsort(abs(rd))
if self.which in ['LR', 'LM', 'LI']:
ind = ind[-k:][::-1]
elif self.which in ['SR', 'SM', 'SI']:
ind = ind[:k]
d = d[ind]
z = z[:, ind]
else:
# complex is so much simpler...
d, z, ierr =\
self._arpack_extract(return_eigenvectors,
howmny, sselect, self.sigma, workev,
self.bmat, self.which, k, self.tol, self.resid,
self.v, self.iparam, self.ipntr,
self.workd, self.workl, self.rwork, ierr)
if ierr != 0:
raise ArpackError(ierr, infodict=self.extract_infodict)
k_ok = self.iparam[4]
d = d[:k_ok]
z = z[:, :k_ok]
if return_eigenvectors:
return d, z
else:
return d
def _aslinearoperator_with_dtype(m):
m = aslinearoperator(m)
if not hasattr(m, 'dtype'):
x = np.zeros(m.shape[1])
m.dtype = (m * x).dtype
return m
class SpLuInv(LinearOperator):
"""
SpLuInv:
helper class to repeatedly solve M*x=b
using a sparse LU-decomposition of M
"""
def __init__(self, M):
self.M_lu = splu(M)
self.shape = M.shape
self.dtype = M.dtype
self.isreal = not np.issubdtype(self.dtype, np.complexfloating)
def _matvec(self, x):
# careful here: splu.solve will throw away imaginary
# part of x if M is real
x = np.asarray(x)
if self.isreal and np.issubdtype(x.dtype, np.complexfloating):
return (self.M_lu.solve(np.real(x).astype(self.dtype))
+ 1j * self.M_lu.solve(np.imag(x).astype(self.dtype)))
else:
return self.M_lu.solve(x.astype(self.dtype))
class LuInv(LinearOperator):
"""
LuInv:
helper class to repeatedly solve M*x=b
using an LU-decomposition of M
"""
def __init__(self, M):
self.M_lu = lu_factor(M)
self.shape = M.shape
self.dtype = M.dtype
def _matvec(self, x):
return lu_solve(self.M_lu, x)
def gmres_loose(A, b, tol):
"""
gmres with looser termination condition.
"""
b = np.asarray(b)
min_tol = 1000 * np.sqrt(b.size) * np.finfo(b.dtype).eps
return gmres(A, b, tol=max(tol, min_tol), atol=0)
class IterInv(LinearOperator):
"""
IterInv:
helper class to repeatedly solve M*x=b
using an iterative method.
"""
def __init__(self, M, ifunc=gmres_loose, tol=0):
self.M = M
if hasattr(M, 'dtype'):
self.dtype = M.dtype
else:
x = np.zeros(M.shape[1])
self.dtype = (M * x).dtype
self.shape = M.shape
if tol <= 0:
# when tol=0, ARPACK uses machine tolerance as calculated
# by LAPACK's _LAMCH function. We should match this
tol = 2 * np.finfo(self.dtype).eps
self.ifunc = ifunc
self.tol = tol
def _matvec(self, x):
b, info = self.ifunc(self.M, x, tol=self.tol)
if info != 0:
raise ValueError("Error in inverting M: function "
"%s did not converge (info = %i)."
% (self.ifunc.__name__, info))
return b
class IterOpInv(LinearOperator):
"""
IterOpInv:
helper class to repeatedly solve [A-sigma*M]*x = b
using an iterative method
"""
def __init__(self, A, M, sigma, ifunc=gmres_loose, tol=0):
self.A = A
self.M = M
self.sigma = sigma
def mult_func(x):