def rq(a, overwrite_a=False, lwork=None):
"""Compute RQ decomposition of a square real matrix.
Calculate the decomposition :lm:`A = R Q` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, M)
Square real matrix to be decomposed
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
lwork : integer
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
econ : boolean
Returns
-------
R : double array, shape (M, N) or (K, N) for econ==True
Size K = min(M, N)
Q : double or complex array, shape (M, M) or (M, K) for econ==True
Raises LinAlgError if decomposition fails
"""
# TODO: implement support for non-square and complex arrays
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
M, N = a1.shape
if M != N:
raise ValueError('expected square matrix')
if issubclass(a1.dtype.type, complexfloating):
raise ValueError('expected real (non-complex) matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gerqf, = get_lapack_funcs(('gerqf', ), (a1, ))
if lwork is None or lwork == -1:
# get optimal work array
rq, tau, work, info = gerqf(a1, lwork=-1, overwrite_a=1)
lwork = work[0]
rq, tau, work, info = gerqf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal geqrf' %
-info)
gemm, = get_blas_funcs(('gemm', ), (rq, ))
t = rq.dtype.char
R = special_matrices.triu(rq)
Q = numpy.identity(M, dtype=t)
ident = numpy.identity(M, dtype=t)
zeros = numpy.zeros
k = min(M, N)
for i in range(k):
v = zeros((M, ), t)
v[N - k + i] = 1
v[0:N - k + i] = rq[M - k + i, 0:N - k + i]
H = gemm(-tau[i], v, v, 1 + 0j, ident, trans_b=2)
Q = gemm(1, Q, H)
return R, Q
def rq(a, overwrite_a=False, lwork=None):
"""Compute RQ decomposition of a square real matrix.
Calculate the decomposition :lm:`A = R Q` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, M)
Square real matrix to be decomposed
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
lwork : integer
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
econ : boolean
Returns
-------
R : double array, shape (M, N) or (K, N) for econ==True
Size K = min(M, N)
Q : double or complex array, shape (M, M) or (M, K) for econ==True
Raises LinAlgError if decomposition fails
"""
# TODO: implement support for non-square and complex arrays
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
M,N = a1.shape
if M != N:
raise ValueError('expected square matrix')
if issubclass(a1.dtype.type, complexfloating):
raise ValueError('expected real (non-complex) matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gerqf, = get_lapack_funcs(('gerqf',), (a1,))
if lwork is None or lwork == -1:
# get optimal work array
rq, tau, work, info = gerqf(a1, lwork=-1, overwrite_a=1)
lwork = work[0]
rq, tau, work, info = gerqf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal geqrf'
% -info)
gemm, = get_blas_funcs(('gemm',), (rq,))
t = rq.dtype.char
R = special_matrices.triu(rq)
Q = numpy.identity(M, dtype=t)
ident = numpy.identity(M, dtype=t)
zeros = numpy.zeros
k = min(M, N)
for i in range(k):
v = zeros((M,), t)
v[N-k+i] = 1
v[0:N-k+i] = rq[M-k+i, 0:N-k+i]
H = gemm(-tau[i], v, v, 1+0j, ident, trans_b=2)
Q = gemm(1, Q, H)
return R, Q
def lu(a, permute_l=False, overwrite_a=False):
"""Compute pivoted LU decompostion of a matrix.
The decomposition is::
A = P L U
where P is a permutation matrix, L lower triangular with unit
diagonal elements, and U upper triangular.
Parameters
----------
a : array, shape (M, N)
Array to decompose
permute_l : boolean
Perform the multiplication P*L (Default: do not permute)
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
Returns
-------
(If permute_l == False)
p : array, shape (M, M)
Permutation matrix
l : array, shape (M, K)
Lower triangular or trapezoidal matrix with unit diagonal.
K = min(M, N)
u : array, shape (K, N)
Upper triangular or trapezoidal matrix
(If permute_l == True)
pl : array, shape (M, K)
Permuted L matrix.
K = min(M, N)
u : array, shape (K, N)
Upper triangular or trapezoidal matrix
Notes
-----
This is a LU factorization routine written for Scipy.
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
flu, = get_flinalg_funcs(('lu',), (a1,))
p, l, u, info = flu(a1, permute_l=permute_l, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of '
'internal lu.getrf' % -info)
if permute_l:
return l, u
return p, l, u
def lu(a, permute_l=False, overwrite_a=False):
"""Compute pivoted LU decompostion of a matrix.
The decomposition is::
A = P L U
where P is a permutation matrix, L lower triangular with unit
diagonal elements, and U upper triangular.
Parameters
----------
a : array, shape (M, N)
Array to decompose
permute_l : boolean
Perform the multiplication P*L (Default: do not permute)
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
Returns
-------
(If permute_l == False)
p : array, shape (M, M)
Permutation matrix
l : array, shape (M, K)
Lower triangular or trapezoidal matrix with unit diagonal.
K = min(M, N)
u : array, shape (K, N)
Upper triangular or trapezoidal matrix
(If permute_l == True)
pl : array, shape (M, K)
Permuted L matrix.
K = min(M, N)
u : array, shape (K, N)
Upper triangular or trapezoidal matrix
Notes
-----
This is a LU factorization routine written for Scipy.
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
flu, = get_flinalg_funcs(('lu', ), (a1, ))
p, l, u, info = flu(a1, permute_l=permute_l, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of '
'internal lu.getrf' % -info)
if permute_l:
return l, u
return p, l, u
def qr_old(a, overwrite_a=False, lwork=None):
"""Compute QR decomposition of a matrix.
Calculate the decomposition :lm:`A = Q R` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, N)
Matrix to be decomposed
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
lwork : integer
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
Returns
-------
Q : double or complex array, shape (M, M)
R : double or complex array, shape (M, N)
Size K = min(M, N)
Raises LinAlgError if decomposition fails
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
M,N = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
geqrf, = get_lapack_funcs(('geqrf',), (a1,))
if lwork is None or lwork == -1:
# get optimal work array
qr, tau, work, info = geqrf(a1, lwork=-1, overwrite_a=1)
lwork = work[0]
qr, tau, work, info = geqrf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal geqrf'
% -info)
gemm, = get_blas_funcs(('gemm',), (qr,))
t = qr.dtype.char
R = special_matrices.triu(qr)
Q = numpy.identity(M, dtype=t)
ident = numpy.identity(M, dtype=t)
zeros = numpy.zeros
for i in range(min(M, N)):
v = zeros((M,), t)
v[i] = 1
v[i+1:M] = qr[i+1:M, i]
H = gemm(-tau[i], v, v, 1+0j, ident, trans_b=2)
Q = gemm(1, Q, H)
return Q, R
def _cholesky(a, lower=False, overwrite_a=False, clean=True):
"""Common code for cholesky() and cho_factor()."""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError("expected square matrix")
overwrite_a = overwrite_a or _datanotshared(a1, a)
potrf, = get_lapack_funcs(("potrf",), (a1,))
c, info = potrf(a1, lower=lower, overwrite_a=overwrite_a, clean=clean)
if info > 0:
raise LinAlgError("%d-th leading minor not positive definite" % info)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal potrf" % -info)
return c, lower
def lu_factor(a, overwrite_a=False):
"""Compute pivoted LU decomposition of a matrix.
The decomposition is::
A = P L U
where P is a permutation matrix, L lower triangular with unit
diagonal elements, and U upper triangular.
Parameters
----------
a : array, shape (M, M)
Matrix to decompose
overwrite_a : boolean
Whether to overwrite data in A (may increase performance)
Returns
-------
lu : array, shape (N, N)
Matrix containing U in its upper triangle, and L in its lower triangle.
The unit diagonal elements of L are not stored.
piv : array, shape (N,)
Pivot indices representing the permutation matrix P:
row i of matrix was interchanged with row piv[i].
See also
--------
lu_solve : solve an equation system using the LU factorization of a matrix
Notes
-----
This is a wrapper to the *GETRF routines from LAPACK.
"""
a1 = asarray(a)
if len(a1.shape) != 2 or (a1.shape[0] != a1.shape[1]):
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
getrf, = get_lapack_funcs(('getrf',), (a1,))
lu, piv, info = getrf(a, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of '
'internal getrf (lu_factor)' % -info)
if info > 0:
warn("Diagonal number %d is exactly zero. Singular matrix." % info,
RuntimeWarning)
return lu, piv
def lu_factor(a, overwrite_a=False):
"""Compute pivoted LU decomposition of a matrix.
The decomposition is::
A = P L U
where P is a permutation matrix, L lower triangular with unit
diagonal elements, and U upper triangular.
Parameters
----------
a : array, shape (M, M)
Matrix to decompose
overwrite_a : boolean
Whether to overwrite data in A (may increase performance)
Returns
-------
lu : array, shape (N, N)
Matrix containing U in its upper triangle, and L in its lower triangle.
The unit diagonal elements of L are not stored.
piv : array, shape (N,)
Pivot indices representing the permutation matrix P:
row i of matrix was interchanged with row piv[i].
See also
--------
lu_solve : solve an equation system using the LU factorization of a matrix
Notes
-----
This is a wrapper to the *GETRF routines from LAPACK.
"""
a1 = asarray(a)
if len(a1.shape) != 2 or (a1.shape[0] != a1.shape[1]):
raise ValueError, 'expected square matrix'
overwrite_a = overwrite_a or (_datanotshared(a1, a))
getrf, = get_lapack_funcs(('getrf', ), (a1, ))
lu, piv, info = getrf(a, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of '
'internal getrf (lu_factor)' % -info)
if info > 0:
warn("Diagonal number %d is exactly zero. Singular matrix." % info,
RuntimeWarning)
return lu, piv
def _cholesky(a, lower=False, overwrite_a=False, clean=True):
"""Common code for cholesky() and cho_factor()."""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or _datanotshared(a1, a)
potrf, = get_lapack_funcs(('potrf', ), (a1, ))
c, info = potrf(a1, lower=lower, overwrite_a=overwrite_a, clean=clean)
if info > 0:
raise LinAlgError("%d-th leading minor not positive definite" % info)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal potrf' %
-info)
return c, lower
def _geneig(a1, b, left, right, overwrite_a, overwrite_b):
b1 = asarray(b)
overwrite_b = overwrite_b or _datanotshared(b1, b)
if len(b1.shape) != 2 or b1.shape[0] != b1.shape[1]:
raise ValueError('expected square matrix')
ggev, = get_lapack_funcs(('ggev', ), (a1, b1))
cvl, cvr = left, right
if ggev.module_name[:7] == 'clapack':
raise NotImplementedError('calling ggev from %s' % ggev.module_name)
res = ggev(a1, b1, lwork=-1)
lwork = res[-2][0]
if ggev.prefix in 'cz':
alpha, beta, vl, vr, work, info = ggev(a1, b1, cvl, cvr, lwork,
overwrite_a, overwrite_b)
w = alpha / beta
else:
alphar, alphai, beta, vl, vr, work, info = ggev(
a1, b1, cvl, cvr, lwork, overwrite_a, overwrite_b)
w = (alphar + _I * alphai) / beta
if info < 0:
raise ValueError('illegal value in %d-th argument of internal ggev' %
-info)
if info > 0:
raise LinAlgError(
"generalized eig algorithm did not converge (info=%d)" % info)
only_real = numpy.logical_and.reduce(numpy.equal(w.imag, 0.0))
if not (ggev.prefix in 'cz' or only_real):
t = w.dtype.char
if left:
vl = _make_complex_eigvecs(w, vl, t)
if right:
vr = _make_complex_eigvecs(w, vr, t)
if not (left or right):
return w
if left:
if right:
return w, vl, vr
return w, vl
return w, vr
def _geneig(a1, b, left, right, overwrite_a, overwrite_b):
b1 = asarray(b)
overwrite_b = overwrite_b or _datanotshared(b1, b)
if len(b1.shape) != 2 or b1.shape[0] != b1.shape[1]:
raise ValueError('expected square matrix')
ggev, = get_lapack_funcs(('ggev',), (a1, b1))
cvl, cvr = left, right
if ggev.module_name[:7] == 'clapack':
raise NotImplementedError('calling ggev from %s' % ggev.module_name)
res = ggev(a1, b1, lwork=-1)
lwork = res[-2][0]
if ggev.prefix in 'cz':
alpha, beta, vl, vr, work, info = ggev(a1, b1, cvl, cvr, lwork,
overwrite_a, overwrite_b)
w = alpha / beta
else:
alphar, alphai, beta, vl, vr, work, info = ggev(a1, b1, cvl, cvr, lwork,
overwrite_a,overwrite_b)
w = (alphar + _I * alphai) / beta
if info < 0:
raise ValueError('illegal value in %d-th argument of internal ggev'
% -info)
if info > 0:
raise LinAlgError("generalized eig algorithm did not converge (info=%d)"
% info)
only_real = numpy.logical_and.reduce(numpy.equal(w.imag, 0.0))
if not (ggev.prefix in 'cz' or only_real):
t = w.dtype.char
if left:
vl = _make_complex_eigvecs(w, vl, t)
if right:
vr = _make_complex_eigvecs(w, vr, t)
if not (left or right):
return w
if left:
if right:
return w, vl, vr
return w, vl
return w, vr
def hessenberg(a, calc_q=False, overwrite_a=False):
"""Compute Hessenberg form of a matrix.
The Hessenberg decomposition is
A = Q H Q^H
where Q is unitary/orthogonal and H has only zero elements below the first
subdiagonal.
Parameters
----------
a : array, shape (M,M)
Matrix to bring into Hessenberg form
calc_q : boolean
Whether to compute the transformation matrix
overwrite_a : boolean
Whether to ovewrite data in a (may improve performance)
Returns
-------
H : array, shape (M,M)
Hessenberg form of A
(If calc_q == True)
Q : array, shape (M,M)
Unitary/orthogonal similarity transformation matrix s.t. A = Q H Q^H
"""
a1 = asarray(a)
if len(a1.shape) != 2 or (a1.shape[0] != a1.shape[1]):
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gehrd, gebal = get_lapack_funcs(('gehrd', 'gebal'), (a1, ))
ba, lo, hi, pivscale, info = gebal(a, permute=1, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gebal '
'(hessenberg)' % -info)
n = len(a1)
lwork = calc_lwork.gehrd(gehrd.prefix, n, lo, hi)
hq, tau, info = gehrd(ba, lo=lo, hi=hi, lwork=lwork, overwrite_a=1)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gehrd '
'(hessenberg)' % -info)
if not calc_q:
for i in range(lo, hi):
hq[i + 2:hi + 1, i] = 0.0
return hq
# XXX: Use ORGHR routines to compute q.
ger, gemm = get_blas_funcs(('ger', 'gemm'), (hq, ))
typecode = hq.dtype.char
q = None
for i in range(lo, hi):
if tau[i] == 0.0:
continue
v = zeros(n, dtype=typecode)
v[i + 1] = 1.0
v[i + 2:hi + 1] = hq[i + 2:hi + 1, i]
hq[i + 2:hi + 1, i] = 0.0
h = ger(-tau[i], v, v, a=diag(ones(n, dtype=typecode)), overwrite_a=1)
if q is None:
q = h
else:
q = gemm(1.0, q, h)
if q is None:
q = diag(ones(n, dtype=typecode))
return hq, q
def schur(a, output='real', lwork=None, overwrite_a=False):
"""Compute Schur decomposition of a matrix.
The Schur decomposition is
A = Z T Z^H
where Z is unitary and T is either upper-triangular, or for real
Schur decomposition (output='real'), quasi-upper triangular. In
the quasi-triangular form, 2x2 blocks describing complex-valued
eigenvalue pairs may extrude from the diagonal.
Parameters
----------
a : array, shape (M, M)
Matrix to decompose
output : {'real', 'complex'}
Construct the real or complex Schur decomposition (for real matrices).
lwork : integer
Work array size. If None or -1, it is automatically computed.
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
Returns
-------
T : array, shape (M, M)
Schur form of A. It is real-valued for the real Schur decomposition.
Z : array, shape (M, M)
An unitary Schur transformation matrix for A.
It is real-valued for the real Schur decomposition.
See also
--------
rsf2csf : Convert real Schur form to complex Schur form
"""
if not output in ['real','complex','r','c']:
raise ValueError("argument must be 'real', or 'complex'")
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or (a1.shape[0] != a1.shape[1]):
raise ValueError('expected square matrix')
typ = a1.dtype.char
if output in ['complex','c'] and typ not in ['F','D']:
if typ in _double_precision:
a1 = a1.astype('D')
typ = 'D'
else:
a1 = a1.astype('F')
typ = 'F'
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gees, = get_lapack_funcs(('gees',), (a1,))
if lwork is None or lwork == -1:
# get optimal work array
result = gees(lambda x: None, a, lwork=-1)
lwork = result[-2][0].real.astype(numpy.int)
result = gees(lambda x: None, a, lwork=lwork, overwrite_a=overwrite_a)
info = result[-1]
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gees'
% -info)
elif info > 0:
raise LinAlgError("Schur form not found. Possibly ill-conditioned.")
return result[0], result[-3]
def eig(a, b=None, left=False, right=True, overwrite_a=False, overwrite_b=False):
"""Solve an ordinary or generalized eigenvalue problem of a square matrix.
Find eigenvalues w and right or left eigenvectors of a general matrix::
a vr[:,i] = w[i] b vr[:,i]
a.H vl[:,i] = w[i].conj() b.H vl[:,i]
where .H is the Hermitean conjugation.
Parameters
----------
a : array, shape (M, M)
A complex or real matrix whose eigenvalues and eigenvectors
will be computed.
b : array, shape (M, M)
Right-hand side matrix in a generalized eigenvalue problem.
If omitted, identity matrix is assumed.
left : boolean
Whether to calculate and return left eigenvectors
right : boolean
Whether to calculate and return right eigenvectors
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
overwrite_b : boolean
Whether to overwrite data in b (may improve performance)
Returns
-------
w : double or complex array, shape (M,)
The eigenvalues, each repeated according to its multiplicity.
(if left == True)
vl : double or complex array, shape (M, M)
The normalized left eigenvector corresponding to the eigenvalue w[i]
is the column v[:,i].
(if right == True)
vr : double or complex array, shape (M, M)
The normalized right eigenvector corresponding to the eigenvalue w[i]
is the column vr[:,i].
Raises LinAlgError if eigenvalue computation does not converge
See Also
--------
eigh : eigenvalues and right eigenvectors for symmetric/Hermitian arrays
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
if b is not None:
b = asarray_chkfinite(b)
if b.shape != a1.shape:
raise ValueError('a and b must have the same shape')
return _geneig(a1, b, left, right, overwrite_a, overwrite_b)
geev, = get_lapack_funcs(('geev',), (a1,))
compute_vl, compute_vr = left, right
if geev.module_name[:7] == 'flapack':
lwork = calc_lwork.geev(geev.prefix, a1.shape[0],
compute_vl, compute_vr)[1]
if geev.prefix in 'cz':
w, vl, vr, info = geev(a1, lwork=lwork,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
else:
wr, wi, vl, vr, info = geev(a1, lwork=lwork,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
t = {'f':'F','d':'D'}[wr.dtype.char]
w = wr + _I * wi
else: # 'clapack'
if geev.prefix in 'cz':
w, vl, vr, info = geev(a1,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
else:
wr, wi, vl, vr, info = geev(a1,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
t = {'f':'F','d':'D'}[wr.dtype.char]
w = wr + _I * wi
if info < 0:
raise ValueError('illegal value in %d-th argument of internal geev'
% -info)
if info > 0:
raise LinAlgError("eig algorithm did not converge (only eigenvalues "
"with order >= %d have converged)" % info)
only_real = numpy.logical_and.reduce(numpy.equal(w.imag, 0.0))
if not (geev.prefix in 'cz' or only_real):
t = w.dtype.char
if left:
vl = _make_complex_eigvecs(w, vl, t)
if right:
vr = _make_complex_eigvecs(w, vr, t)
if not (left or right):
return w
if left:
if right:
return w, vl, vr
return w, vl
return w, vr
def hessenberg(a, calc_q=False, overwrite_a=False):
"""Compute Hessenberg form of a matrix.
The Hessenberg decomposition is
A = Q H Q^H
where Q is unitary/orthogonal and H has only zero elements below the first
subdiagonal.
Parameters
----------
a : array, shape (M,M)
Matrix to bring into Hessenberg form
calc_q : boolean
Whether to compute the transformation matrix
overwrite_a : boolean
Whether to ovewrite data in a (may improve performance)
Returns
-------
H : array, shape (M,M)
Hessenberg form of A
(If calc_q == True)
Q : array, shape (M,M)
Unitary/orthogonal similarity transformation matrix s.t. A = Q H Q^H
"""
a1 = asarray(a)
if len(a1.shape) != 2 or (a1.shape[0] != a1.shape[1]):
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gehrd,gebal = get_lapack_funcs(('gehrd','gebal'), (a1,))
ba, lo, hi, pivscale, info = gebal(a, permute=1, overwrite_a=overwrite_a)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gebal '
'(hessenberg)' % -info)
n = len(a1)
lwork = calc_lwork.gehrd(gehrd.prefix, n, lo, hi)
hq, tau, info = gehrd(ba, lo=lo, hi=hi, lwork=lwork, overwrite_a=1)
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gehrd '
'(hessenberg)' % -info)
if not calc_q:
for i in range(lo, hi):
hq[i+2:hi+1, i] = 0.0
return hq
# XXX: Use ORGHR routines to compute q.
ger,gemm = get_blas_funcs(('ger','gemm'), (hq,))
typecode = hq.dtype.char
q = None
for i in range(lo, hi):
if tau[i]==0.0:
continue
v = zeros(n, dtype=typecode)
v[i+1] = 1.0
v[i+2:hi+1] = hq[i+2:hi+1, i]
hq[i+2:hi+1, i] = 0.0
h = ger(-tau[i], v, v,a=diag(ones(n, dtype=typecode)), overwrite_a=1)
if q is None:
q = h
else:
q = gemm(1.0, q, h)
if q is None:
q = diag(ones(n, dtype=typecode))
return hq, q
def eig_banded(a_band, lower=False, eigvals_only=False, overwrite_a_band=False,
select='a', select_range=None, max_ev = 0):
"""Solve real symmetric or complex hermitian band matrix eigenvalue problem.
Find eigenvalues w and optionally right eigenvectors v of a::
a v[:,i] = w[i] v[:,i]
v.H v = identity
The matrix a is stored in ab either in lower diagonal or upper
diagonal ordered form:
ab[u + i - j, j] == a[i,j] (if upper form; i <= j)
ab[ i - j, j] == a[i,j] (if lower form; i >= j)
Example of ab (shape of a is (6,6), u=2)::
upper form:
* * a02 a13 a24 a35
* a01 a12 a23 a34 a45
a00 a11 a22 a33 a44 a55
lower form:
a00 a11 a22 a33 a44 a55
a10 a21 a32 a43 a54 *
a20 a31 a42 a53 * *
Cells marked with * are not used.
Parameters
----------
a_band : array, shape (M, u+1)
Banded matrix whose eigenvalues to calculate
lower : boolean
Is the matrix in the lower form. (Default is upper form)
eigvals_only : boolean
Compute only the eigenvalues and no eigenvectors.
(Default: calculate also eigenvectors)
overwrite_a_band:
Discard data in a_band (may enhance performance)
select: {'a', 'v', 'i'}
Which eigenvalues to calculate
====== ========================================
select calculated
====== ========================================
'a' All eigenvalues
'v' Eigenvalues in the interval (min, max]
'i' Eigenvalues with indices min <= i <= max
====== ========================================
select_range : (min, max)
Range of selected eigenvalues
max_ev : integer
For select=='v', maximum number of eigenvalues expected.
For other values of select, has no meaning.
In doubt, leave this parameter untouched.
Returns
-------
w : array, shape (M,)
The eigenvalues, in ascending order, each repeated according to its
multiplicity.
v : double or complex double array, shape (M, M)
The normalized eigenvector corresponding to the eigenvalue w[i] is
the column v[:,i].
Raises LinAlgError if eigenvalue computation does not converge
"""
if eigvals_only or overwrite_a_band:
a1 = asarray_chkfinite(a_band)
overwrite_a_band = overwrite_a_band or (_datanotshared(a1, a_band))
else:
a1 = array(a_band)
if issubclass(a1.dtype.type, inexact) and not isfinite(a1).all():
raise ValueError("array must not contain infs or NaNs")
overwrite_a_band = 1
if len(a1.shape) != 2:
raise ValueError('expected two-dimensional array')
if select.lower() not in [0, 1, 2, 'a', 'v', 'i', 'all', 'value', 'index']:
raise ValueError('invalid argument for select')
if select.lower() in [0, 'a', 'all']:
if a1.dtype.char in 'GFD':
bevd, = get_lapack_funcs(('hbevd',), (a1,))
# FIXME: implement this somewhen, for now go with builtin values
# FIXME: calc optimal lwork by calling ?hbevd(lwork=-1)
# or by using calc_lwork.f ???
# lwork = calc_lwork.hbevd(bevd.prefix, a1.shape[0], lower)
internal_name = 'hbevd'
else: # a1.dtype.char in 'fd':
bevd, = get_lapack_funcs(('sbevd',), (a1,))
# FIXME: implement this somewhen, for now go with builtin values
# see above
# lwork = calc_lwork.sbevd(bevd.prefix, a1.shape[0], lower)
internal_name = 'sbevd'
w,v,info = bevd(a1, compute_v=not eigvals_only,
lower=lower,
overwrite_ab=overwrite_a_band)
if select.lower() in [1, 2, 'i', 'v', 'index', 'value']:
# calculate certain range only
if select.lower() in [2, 'i', 'index']:
select = 2
vl, vu, il, iu = 0.0, 0.0, min(select_range), max(select_range)
if min(il, iu) < 0 or max(il, iu) >= a1.shape[1]:
raise ValueError, 'select_range out of bounds'
max_ev = iu - il + 1
else: # 1, 'v', 'value'
select = 1
vl, vu, il, iu = min(select_range), max(select_range), 0, 0
if max_ev == 0:
max_ev = a_band.shape[1]
if eigvals_only:
max_ev = 1
# calculate optimal abstol for dsbevx (see manpage)
if a1.dtype.char in 'fF': # single precision
lamch, = get_lapack_funcs(('lamch',), (array(0, dtype='f'),))
else:
lamch, = get_lapack_funcs(('lamch',), (array(0, dtype='d'),))
abstol = 2 * lamch('s')
if a1.dtype.char in 'GFD':
bevx, = get_lapack_funcs(('hbevx',), (a1,))
internal_name = 'hbevx'
else: # a1.dtype.char in 'gfd'
bevx, = get_lapack_funcs(('sbevx',), (a1,))
internal_name = 'sbevx'
# il+1, iu+1: translate python indexing (0 ... N-1) into Fortran
# indexing (1 ... N)
w, v, m, ifail, info = bevx(a1, vl, vu, il+1, iu+1,
compute_v=not eigvals_only,
mmax=max_ev,
range=select, lower=lower,
overwrite_ab=overwrite_a_band,
abstol=abstol)
# crop off w and v
w = w[:m]
if not eigvals_only:
v = v[:, :m]
if info < 0:
raise ValueError('illegal value in %d-th argument of internal %s'
% (-info, internal_name))
if info > 0:
raise LinAlgError("eig algorithm did not converge")
if eigvals_only:
return w
return w, v
def qr(a, overwrite_a=False, lwork=None, econ=None, mode='qr'):
"""Compute QR decomposition of a matrix.
Calculate the decomposition :lm:`A = Q R` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, N)
Matrix to be decomposed
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
lwork : integer
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
econ : boolean
Whether to compute the economy-size QR decomposition, making shapes
of Q and R (M, K) and (K, N) instead of (M,M) and (M,N). K=min(M,N).
Default is False.
mode : {'qr', 'r'}
Determines what information is to be returned: either both Q and R
or only R.
Returns
-------
(if mode == 'qr')
Q : double or complex array, shape (M, M) or (M, K) for econ==True
(for any mode)
R : double or complex array, shape (M, N) or (K, N) for econ==True
Size K = min(M, N)
Raises LinAlgError if decomposition fails
Notes
-----
This is an interface to the LAPACK routines dgeqrf, zgeqrf,
dorgqr, and zungqr.
Examples
--------
>>> from scipy import random, linalg, dot
>>> a = random.randn(9, 6)
>>> q, r = linalg.qr(a)
>>> allclose(a, dot(q, r))
True
>>> q.shape, r.shape
((9, 9), (9, 6))
>>> r2 = linalg.qr(a, mode='r')
>>> allclose(r, r2)
>>> q3, r3 = linalg.qr(a, econ=True)
>>> q3.shape, r3.shape
((9, 6), (6, 6))
"""
if econ is None:
econ = False
else:
warn(
"qr econ argument will be removed after scipy 0.7. "
"The economy transform will then be available through "
"the mode='economic' argument.", DeprecationWarning)
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError("expected 2D array")
M, N = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
geqrf, = get_lapack_funcs(('geqrf', ), (a1, ))
if lwork is None or lwork == -1:
# get optimal work array
qr, tau, work, info = geqrf(a1, lwork=-1, overwrite_a=1)
lwork = work[0]
qr, tau, work, info = geqrf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal geqrf" %
-info)
if not econ or M < N:
R = special_matrices.triu(qr)
else:
R = special_matrices.triu(qr[0:N, 0:N])
if mode == 'r':
return R
if find_best_lapack_type((a1,))[0] == 's' or \
find_best_lapack_type((a1,))[0] == 'd':
gor_un_gqr, = get_lapack_funcs(('orgqr', ), (qr, ))
else:
gor_un_gqr, = get_lapack_funcs(('ungqr', ), (qr, ))
if M < N:
# get optimal work array
Q, work, info = gor_un_gqr(qr[:, 0:M], tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qr[:, 0:M], tau, lwork=lwork, overwrite_a=1)
elif econ:
# get optimal work array
Q, work, info = gor_un_gqr(qr, tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qr, tau, lwork=lwork, overwrite_a=1)
else:
t = qr.dtype.char
qqr = numpy.empty((M, M), dtype=t)
qqr[:, 0:N] = qr
# get optimal work array
Q, work, info = gor_un_gqr(qqr, tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qqr, tau, lwork=lwork, overwrite_a=1)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal gorgqr" %
-info)
return Q, R
def eigh(a, b=None, lower=True, eigvals_only=False, overwrite_a=False,
overwrite_b=False, turbo=True, eigvals=None, type=1):
"""Solve an ordinary or generalized eigenvalue problem for a complex
Hermitian or real symmetric matrix.
Find eigenvalues w and optionally eigenvectors v of matrix a, where
b is positive definite::
a v[:,i] = w[i] b v[:,i]
v[i,:].conj() a v[:,i] = w[i]
v[i,:].conj() b v[:,i] = 1
Parameters
----------
a : array, shape (M, M)
A complex Hermitian or real symmetric matrix whose eigenvalues and
eigenvectors will be computed.
b : array, shape (M, M)
A complex Hermitian or real symmetric definite positive matrix in.
If omitted, identity matrix is assumed.
lower : boolean
Whether the pertinent array data is taken from the lower or upper
triangle of a. (Default: lower)
eigvals_only : boolean
Whether to calculate only eigenvalues and no eigenvectors.
(Default: both are calculated)
turbo : boolean
Use divide and conquer algorithm (faster but expensive in memory,
only for generalized eigenvalue problem and if eigvals=None)
eigvals : tuple (lo, hi)
Indexes of the smallest and largest (in ascending order) eigenvalues
and corresponding eigenvectors to be returned: 0 <= lo < hi <= M-1.
If omitted, all eigenvalues and eigenvectors are returned.
type: integer
Specifies the problem type to be solved:
type = 1: a v[:,i] = w[i] b v[:,i]
type = 2: a b v[:,i] = w[i] v[:,i]
type = 3: b a v[:,i] = w[i] v[:,i]
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
overwrite_b : boolean
Whether to overwrite data in b (may improve performance)
Returns
-------
w : real array, shape (N,)
The N (1<=N<=M) selected eigenvalues, in ascending order, each
repeated according to its multiplicity.
(if eigvals_only == False)
v : complex array, shape (M, N)
The normalized selected eigenvector corresponding to the
eigenvalue w[i] is the column v[:,i]. Normalization:
type 1 and 3: v.conj() a v = w
type 2: inv(v).conj() a inv(v) = w
type = 1 or 2: v.conj() b v = I
type = 3 : v.conj() inv(b) v = I
Raises LinAlgError if eigenvalue computation does not converge,
an error occurred, or b matrix is not definite positive. Note that
if input matrices are not symmetric or hermitian, no error is reported
but results will be wrong.
See Also
--------
eig : eigenvalues and right eigenvectors for non-symmetric arrays
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
if iscomplexobj(a1):
cplx = True
else:
cplx = False
if b is not None:
b1 = asarray_chkfinite(b)
overwrite_b = overwrite_b or _datanotshared(b1, b)
if len(b1.shape) != 2 or b1.shape[0] != b1.shape[1]:
raise ValueError('expected square matrix')
if b1.shape != a1.shape:
raise ValueError("wrong b dimensions %s, should "
"be %s" % (str(b1.shape), str(a1.shape)))
if iscomplexobj(b1):
cplx = True
else:
cplx = cplx or False
else:
b1 = None
# Set job for fortran routines
_job = (eigvals_only and 'N') or 'V'
# port eigenvalue range from python to fortran convention
if eigvals is not None:
lo, hi = eigvals
if lo < 0 or hi >= a1.shape[0]:
raise ValueError('The eigenvalue range specified is not valid.\n'
'Valid range is [%s,%s]' % (0, a1.shape[0]-1))
lo += 1
hi += 1
eigvals = (lo, hi)
# set lower
if lower:
uplo = 'L'
else:
uplo = 'U'
# fix prefix for lapack routines
if cplx:
pfx = 'he'
else:
pfx = 'sy'
# Standard Eigenvalue Problem
# Use '*evr' routines
# FIXME: implement calculation of optimal lwork
# for all lapack routines
if b1 is None:
(evr,) = get_lapack_funcs((pfx+'evr',), (a1,))
if eigvals is None:
w, v, info = evr(a1, uplo=uplo, jobz=_job, range="A", il=1,
iu=a1.shape[0], overwrite_a=overwrite_a)
else:
(lo, hi)= eigvals
w_tot, v, info = evr(a1, uplo=uplo, jobz=_job, range="I",
il=lo, iu=hi, overwrite_a=overwrite_a)
w = w_tot[0:hi-lo+1]
# Generalized Eigenvalue Problem
else:
# Use '*gvx' routines if range is specified
if eigvals is not None:
(gvx,) = get_lapack_funcs((pfx+'gvx',), (a1,b1))
(lo, hi) = eigvals
w_tot, v, ifail, info = gvx(a1, b1, uplo=uplo, iu=hi,
itype=type,jobz=_job, il=lo,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
w = w_tot[0:hi-lo+1]
# Use '*gvd' routine if turbo is on and no eigvals are specified
elif turbo:
(gvd,) = get_lapack_funcs((pfx+'gvd',), (a1,b1))
v, w, info = gvd(a1, b1, uplo=uplo, itype=type, jobz=_job,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
# Use '*gv' routine if turbo is off and no eigvals are specified
else:
(gv,) = get_lapack_funcs((pfx+'gv',), (a1,b1))
v, w, info = gv(a1, b1, uplo=uplo, itype= type, jobz=_job,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
# Check if we had a successful exit
if info == 0:
if eigvals_only:
return w
else:
return w, v
elif info < 0:
raise LinAlgError("illegal value in %i-th argument of internal"
" fortran routine." % (-info))
elif info > 0 and b1 is None:
raise LinAlgError("unrecoverable internal error.")
# The algorithm failed to converge.
elif info > 0 and info <= b1.shape[0]:
if eigvals is not None:
raise LinAlgError("the eigenvectors %s failed to"
" converge." % nonzero(ifail)-1)
else:
raise LinAlgError("internal fortran routine failed to converge: "
"%i off-diagonal elements of an "
"intermediate tridiagonal form did not converge"
" to zero." % info)
# This occurs when b is not positive definite
else:
raise LinAlgError("the leading minor of order %i"
" of 'b' is not positive definite. The"
" factorization of 'b' could not be completed"
" and no eigenvalues or eigenvectors were"
" computed." % (info-b1.shape[0]))
def svd(a, full_matrices=True, compute_uv=True, overwrite_a=False):
"""Singular Value Decomposition.
Factorizes the matrix a into two unitary matrices U and Vh and
an 1d-array s of singular values (real, non-negative) such that
a == U S Vh if S is an suitably shaped matrix of zeros whose
main diagonal is s.
Parameters
----------
a : array, shape (M, N)
Matrix to decompose
full_matrices : boolean
If true, U, Vh are shaped (M,M), (N,N)
If false, the shapes are (M,K), (K,N) where K = min(M,N)
compute_uv : boolean
Whether to compute also U, Vh in addition to s (Default: true)
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
Returns
-------
U: array, shape (M,M) or (M,K) depending on full_matrices
s: array, shape (K,)
The singular values, sorted so that s[i] >= s[i+1]. K = min(M, N)
Vh: array, shape (N,N) or (K,N) depending on full_matrices
For compute_uv = False, only s is returned.
Raises LinAlgError if SVD computation does not converge
Examples
--------
>>> from scipy import random, linalg, allclose, dot
>>> a = random.randn(9, 6) + 1j*random.randn(9, 6)
>>> U, s, Vh = linalg.svd(a)
>>> U.shape, Vh.shape, s.shape
((9, 9), (6, 6), (6,))
>>> U, s, Vh = linalg.svd(a, full_matrices=False)
>>> U.shape, Vh.shape, s.shape
((9, 6), (6, 6), (6,))
>>> S = linalg.diagsvd(s, 6, 6)
>>> allclose(a, dot(U, dot(S, Vh)))
True
>>> s2 = linalg.svd(a, compute_uv=False)
>>> allclose(s, s2)
True
See also
--------
svdvals : return singular values of a matrix
diagsvd : return the Sigma matrix, given the vector s
"""
# A hack until full_matrices == 0 support is fixed here.
if full_matrices == 0:
import numpy.linalg
return numpy.linalg.svd(a, full_matrices=0, compute_uv=compute_uv)
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
m,n = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gesdd, = get_lapack_funcs(('gesdd',), (a1,))
if gesdd.module_name[:7] == 'flapack':
lwork = calc_lwork.gesdd(gesdd.prefix, m, n, compute_uv)[1]
u,s,v,info = gesdd(a1,compute_uv = compute_uv, lwork = lwork,
overwrite_a = overwrite_a)
else: # 'clapack'
raise NotImplementedError('calling gesdd from %s' % gesdd.module_name)
if info > 0:
raise LinAlgError("SVD did not converge")
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gesdd'
% -info)
if compute_uv:
return u, s, v
else:
return s
def eig(a,
b=None,
left=False,
right=True,
overwrite_a=False,
overwrite_b=False):
"""Solve an ordinary or generalized eigenvalue problem of a square matrix.
Find eigenvalues w and right or left eigenvectors of a general matrix::
a vr[:,i] = w[i] b vr[:,i]
a.H vl[:,i] = w[i].conj() b.H vl[:,i]
where .H is the Hermitean conjugation.
Parameters
----------
a : array, shape (M, M)
A complex or real matrix whose eigenvalues and eigenvectors
will be computed.
b : array, shape (M, M)
Right-hand side matrix in a generalized eigenvalue problem.
If omitted, identity matrix is assumed.
left : boolean
Whether to calculate and return left eigenvectors
right : boolean
Whether to calculate and return right eigenvectors
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
overwrite_b : boolean
Whether to overwrite data in b (may improve performance)
Returns
-------
w : double or complex array, shape (M,)
The eigenvalues, each repeated according to its multiplicity.
(if left == True)
vl : double or complex array, shape (M, M)
The normalized left eigenvector corresponding to the eigenvalue w[i]
is the column v[:,i].
(if right == True)
vr : double or complex array, shape (M, M)
The normalized right eigenvector corresponding to the eigenvalue w[i]
is the column vr[:,i].
Raises LinAlgError if eigenvalue computation does not converge
See Also
--------
eigh : eigenvalues and right eigenvectors for symmetric/Hermitian arrays
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
if b is not None:
b = asarray_chkfinite(b)
if b.shape != a1.shape:
raise ValueError('a and b must have the same shape')
return _geneig(a1, b, left, right, overwrite_a, overwrite_b)
geev, = get_lapack_funcs(('geev', ), (a1, ))
compute_vl, compute_vr = left, right
if geev.module_name[:7] == 'flapack':
lwork = calc_lwork.geev(geev.prefix, a1.shape[0], compute_vl,
compute_vr)[1]
if geev.prefix in 'cz':
w, vl, vr, info = geev(a1,
lwork=lwork,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
else:
wr, wi, vl, vr, info = geev(a1,
lwork=lwork,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
t = {'f': 'F', 'd': 'D'}[wr.dtype.char]
w = wr + _I * wi
else: # 'clapack'
if geev.prefix in 'cz':
w, vl, vr, info = geev(a1,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
else:
wr, wi, vl, vr, info = geev(a1,
compute_vl=compute_vl,
compute_vr=compute_vr,
overwrite_a=overwrite_a)
t = {'f': 'F', 'd': 'D'}[wr.dtype.char]
w = wr + _I * wi
if info < 0:
raise ValueError('illegal value in %d-th argument of internal geev' %
-info)
if info > 0:
raise LinAlgError("eig algorithm did not converge (only eigenvalues "
"with order >= %d have converged)" % info)
only_real = numpy.logical_and.reduce(numpy.equal(w.imag, 0.0))
if not (geev.prefix in 'cz' or only_real):
t = w.dtype.char
if left:
vl = _make_complex_eigvecs(w, vl, t)
if right:
vr = _make_complex_eigvecs(w, vr, t)
if not (left or right):
return w
if left:
if right:
return w, vl, vr
return w, vl
return w, vr
def qr(a, overwrite_a=False, lwork=None, mode='full'):
"""Compute QR decomposition of a matrix.
Calculate the decomposition :lm:`A = Q R` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, N)
Matrix to be decomposed
overwrite_a : bool, optional
Whether data in a is overwritten (may improve performance)
lwork : int, optional
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
mode : {'full', 'r', 'economic'}
Determines what information is to be returned: either both Q and R
('full', default), only R ('r') or both Q and R but computed in
economy-size ('economic', see Notes).
Returns
-------
Q : double or complex ndarray
Of shape (M, M), or (M, K) for ``mode='economic'``. Not returned if
``mode='r'``.
R : double or complex ndarray
Of shape (M, N), or (K, N) for ``mode='economic'``. ``K = min(M, N)``.
Raises LinAlgError if decomposition fails
Notes
-----
This is an interface to the LAPACK routines dgeqrf, zgeqrf,
dorgqr, and zungqr.
If ``mode=economic``, the shapes of Q and R are (M, K) and (K, N) instead
of (M,M) and (M,N), with ``K=min(M,N)``.
Examples
--------
>>> from scipy import random, linalg, dot
>>> a = random.randn(9, 6)
>>> q, r = linalg.qr(a)
>>> allclose(a, dot(q, r))
True
>>> q.shape, r.shape
((9, 9), (9, 6))
>>> r2 = linalg.qr(a, mode='r')
>>> allclose(r, r2)
>>> q3, r3 = linalg.qr(a, mode='economic')
>>> q3.shape, r3.shape
((9, 6), (6, 6))
"""
if mode == 'qr':
# 'qr' was the old default, equivalent to 'full'. Neither 'full' nor
# 'qr' are used below, but set to 'full' anyway to be sure
mode = 'full'
if not mode in ['full', 'qr', 'r', 'economic']:
raise ValueError(\
"Mode argument should be one of ['full', 'r', 'economic']")
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError("expected 2D array")
M, N = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
geqrf, = get_lapack_funcs(('geqrf',), (a1,))
if lwork is None or lwork == -1:
# get optimal work array
qr, tau, work, info = geqrf(a1, lwork=-1, overwrite_a=1)
lwork = work[0].real.astype(numpy.int)
qr, tau, work, info = geqrf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal geqrf"
% -info)
if not mode == 'economic' or M < N:
R = special_matrices.triu(qr)
else:
R = special_matrices.triu(qr[0:N, 0:N])
if mode == 'r':
return R
if find_best_lapack_type((a1,))[0] == 's' or \
find_best_lapack_type((a1,))[0] == 'd':
gor_un_gqr, = get_lapack_funcs(('orgqr',), (qr,))
else:
gor_un_gqr, = get_lapack_funcs(('ungqr',), (qr,))
if M < N:
# get optimal work array
Q, work, info = gor_un_gqr(qr[:,0:M], tau, lwork=-1, overwrite_a=1)
lwork = work[0].real.astype(numpy.int)
Q, work, info = gor_un_gqr(qr[:,0:M], tau, lwork=lwork, overwrite_a=1)
elif mode == 'economic':
# get optimal work array
Q, work, info = gor_un_gqr(qr, tau, lwork=-1, overwrite_a=1)
lwork = work[0].real.astype(numpy.int)
Q, work, info = gor_un_gqr(qr, tau, lwork=lwork, overwrite_a=1)
else:
t = qr.dtype.char
qqr = numpy.empty((M, M), dtype=t)
qqr[:,0:N] = qr
# get optimal work array
Q, work, info = gor_un_gqr(qqr, tau, lwork=-1, overwrite_a=1)
lwork = work[0].real.astype(numpy.int)
Q, work, info = gor_un_gqr(qqr, tau, lwork=lwork, overwrite_a=1)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal gorgqr"
% -info)
return Q, R
def eigh(a,
b=None,
lower=True,
eigvals_only=False,
overwrite_a=False,
overwrite_b=False,
turbo=True,
eigvals=None,
type=1):
"""Solve an ordinary or generalized eigenvalue problem for a complex
Hermitian or real symmetric matrix.
Find eigenvalues w and optionally eigenvectors v of matrix a, where
b is positive definite::
a v[:,i] = w[i] b v[:,i]
v[i,:].conj() a v[:,i] = w[i]
v[i,:].conj() b v[:,i] = 1
Parameters
----------
a : array, shape (M, M)
A complex Hermitian or real symmetric matrix whose eigenvalues and
eigenvectors will be computed.
b : array, shape (M, M)
A complex Hermitian or real symmetric definite positive matrix in.
If omitted, identity matrix is assumed.
lower : boolean
Whether the pertinent array data is taken from the lower or upper
triangle of a. (Default: lower)
eigvals_only : boolean
Whether to calculate only eigenvalues and no eigenvectors.
(Default: both are calculated)
turbo : boolean
Use divide and conquer algorithm (faster but expensive in memory,
only for generalized eigenvalue problem and if eigvals=None)
eigvals : tuple (lo, hi)
Indexes of the smallest and largest (in ascending order) eigenvalues
and corresponding eigenvectors to be returned: 0 <= lo < hi <= M-1.
If omitted, all eigenvalues and eigenvectors are returned.
type: integer
Specifies the problem type to be solved:
type = 1: a v[:,i] = w[i] b v[:,i]
type = 2: a b v[:,i] = w[i] v[:,i]
type = 3: b a v[:,i] = w[i] v[:,i]
overwrite_a : boolean
Whether to overwrite data in a (may improve performance)
overwrite_b : boolean
Whether to overwrite data in b (may improve performance)
Returns
-------
w : real array, shape (N,)
The N (1<=N<=M) selected eigenvalues, in ascending order, each
repeated according to its multiplicity.
(if eigvals_only == False)
v : complex array, shape (M, N)
The normalized selected eigenvector corresponding to the
eigenvalue w[i] is the column v[:,i]. Normalization:
type 1 and 3: v.conj() a v = w
type 2: inv(v).conj() a inv(v) = w
type = 1 or 2: v.conj() b v = I
type = 3 : v.conj() inv(b) v = I
Raises LinAlgError if eigenvalue computation does not converge,
an error occurred, or b matrix is not definite positive. Note that
if input matrices are not symmetric or hermitian, no error is reported
but results will be wrong.
See Also
--------
eig : eigenvalues and right eigenvectors for non-symmetric arrays
"""
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2 or a1.shape[0] != a1.shape[1]:
raise ValueError('expected square matrix')
overwrite_a = overwrite_a or (_datanotshared(a1, a))
if iscomplexobj(a1):
cplx = True
else:
cplx = False
if b is not None:
b1 = asarray_chkfinite(b)
overwrite_b = overwrite_b or _datanotshared(b1, b)
if len(b1.shape) != 2 or b1.shape[0] != b1.shape[1]:
raise ValueError('expected square matrix')
if b1.shape != a1.shape:
raise ValueError("wrong b dimensions %s, should "
"be %s" % (str(b1.shape), str(a1.shape)))
if iscomplexobj(b1):
cplx = True
else:
cplx = cplx or False
else:
b1 = None
# Set job for fortran routines
_job = (eigvals_only and 'N') or 'V'
# port eigenvalue range from python to fortran convention
if eigvals is not None:
lo, hi = eigvals
if lo < 0 or hi >= a1.shape[0]:
raise ValueError('The eigenvalue range specified is not valid.\n'
'Valid range is [%s,%s]' % (0, a1.shape[0] - 1))
lo += 1
hi += 1
eigvals = (lo, hi)
# set lower
if lower:
uplo = 'L'
else:
uplo = 'U'
# fix prefix for lapack routines
if cplx:
pfx = 'he'
else:
pfx = 'sy'
# Standard Eigenvalue Problem
# Use '*evr' routines
# FIXME: implement calculation of optimal lwork
# for all lapack routines
if b1 is None:
(evr, ) = get_lapack_funcs((pfx + 'evr', ), (a1, ))
if eigvals is None:
w, v, info = evr(a1,
uplo=uplo,
jobz=_job,
range="A",
il=1,
iu=a1.shape[0],
overwrite_a=overwrite_a)
else:
(lo, hi) = eigvals
w_tot, v, info = evr(a1,
uplo=uplo,
jobz=_job,
range="I",
il=lo,
iu=hi,
overwrite_a=overwrite_a)
w = w_tot[0:hi - lo + 1]
# Generalized Eigenvalue Problem
else:
# Use '*gvx' routines if range is specified
if eigvals is not None:
(gvx, ) = get_lapack_funcs((pfx + 'gvx', ), (a1, b1))
(lo, hi) = eigvals
w_tot, v, ifail, info = gvx(a1,
b1,
uplo=uplo,
iu=hi,
itype=type,
jobz=_job,
il=lo,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
w = w_tot[0:hi - lo + 1]
# Use '*gvd' routine if turbo is on and no eigvals are specified
elif turbo:
(gvd, ) = get_lapack_funcs((pfx + 'gvd', ), (a1, b1))
v, w, info = gvd(a1,
b1,
uplo=uplo,
itype=type,
jobz=_job,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
# Use '*gv' routine if turbo is off and no eigvals are specified
else:
(gv, ) = get_lapack_funcs((pfx + 'gv', ), (a1, b1))
v, w, info = gv(a1,
b1,
uplo=uplo,
itype=type,
jobz=_job,
overwrite_a=overwrite_a,
overwrite_b=overwrite_b)
# Check if we had a successful exit
if info == 0:
if eigvals_only:
return w
else:
return w, v
elif info < 0:
raise LinAlgError("illegal value in %i-th argument of internal"
" fortran routine." % (-info))
elif info > 0 and b1 is None:
raise LinAlgError("unrecoverable internal error.")
# The algorithm failed to converge.
elif info > 0 and info <= b1.shape[0]:
if eigvals is not None:
raise LinAlgError("the eigenvectors %s failed to"
" converge." % nonzero(ifail) - 1)
else:
raise LinAlgError("internal fortran routine failed to converge: "
"%i off-diagonal elements of an "
"intermediate tridiagonal form did not converge"
" to zero." % info)
# This occurs when b is not positive definite
else:
raise LinAlgError("the leading minor of order %i"
" of 'b' is not positive definite. The"
" factorization of 'b' could not be completed"
" and no eigenvalues or eigenvectors were"
" computed." % (info - b1.shape[0]))
def eig_banded(a_band,
lower=False,
eigvals_only=False,
overwrite_a_band=False,
select='a',
select_range=None,
max_ev=0):
"""Solve real symmetric or complex hermitian band matrix eigenvalue problem.
Find eigenvalues w and optionally right eigenvectors v of a::
a v[:,i] = w[i] v[:,i]
v.H v = identity
The matrix a is stored in ab either in lower diagonal or upper
diagonal ordered form:
ab[u + i - j, j] == a[i,j] (if upper form; i <= j)
ab[ i - j, j] == a[i,j] (if lower form; i >= j)
Example of ab (shape of a is (6,6), u=2)::
upper form:
* * a02 a13 a24 a35
* a01 a12 a23 a34 a45
a00 a11 a22 a33 a44 a55
lower form:
a00 a11 a22 a33 a44 a55
a10 a21 a32 a43 a54 *
a20 a31 a42 a53 * *
Cells marked with * are not used.
Parameters
----------
a_band : array, shape (M, u+1)
Banded matrix whose eigenvalues to calculate
lower : boolean
Is the matrix in the lower form. (Default is upper form)
eigvals_only : boolean
Compute only the eigenvalues and no eigenvectors.
(Default: calculate also eigenvectors)
overwrite_a_band:
Discard data in a_band (may enhance performance)
select: {'a', 'v', 'i'}
Which eigenvalues to calculate
====== ========================================
select calculated
====== ========================================
'a' All eigenvalues
'v' Eigenvalues in the interval (min, max]
'i' Eigenvalues with indices min <= i <= max
====== ========================================
select_range : (min, max)
Range of selected eigenvalues
max_ev : integer
For select=='v', maximum number of eigenvalues expected.
For other values of select, has no meaning.
In doubt, leave this parameter untouched.
Returns
-------
w : array, shape (M,)
The eigenvalues, in ascending order, each repeated according to its
multiplicity.
v : double or complex double array, shape (M, M)
The normalized eigenvector corresponding to the eigenvalue w[i] is
the column v[:,i].
Raises LinAlgError if eigenvalue computation does not converge
"""
if eigvals_only or overwrite_a_band:
a1 = asarray_chkfinite(a_band)
overwrite_a_band = overwrite_a_band or (_datanotshared(a1, a_band))
else:
a1 = array(a_band)
if issubclass(a1.dtype.type, inexact) and not isfinite(a1).all():
raise ValueError("array must not contain infs or NaNs")
overwrite_a_band = 1
if len(a1.shape) != 2:
raise ValueError('expected two-dimensional array')
if select.lower() not in [0, 1, 2, 'a', 'v', 'i', 'all', 'value', 'index']:
raise ValueError('invalid argument for select')
if select.lower() in [0, 'a', 'all']:
if a1.dtype.char in 'GFD':
bevd, = get_lapack_funcs(('hbevd', ), (a1, ))
# FIXME: implement this somewhen, for now go with builtin values
# FIXME: calc optimal lwork by calling ?hbevd(lwork=-1)
# or by using calc_lwork.f ???
# lwork = calc_lwork.hbevd(bevd.prefix, a1.shape[0], lower)
internal_name = 'hbevd'
else: # a1.dtype.char in 'fd':
bevd, = get_lapack_funcs(('sbevd', ), (a1, ))
# FIXME: implement this somewhen, for now go with builtin values
# see above
# lwork = calc_lwork.sbevd(bevd.prefix, a1.shape[0], lower)
internal_name = 'sbevd'
w, v, info = bevd(a1,
compute_v=not eigvals_only,
lower=lower,
overwrite_ab=overwrite_a_band)
if select.lower() in [1, 2, 'i', 'v', 'index', 'value']:
# calculate certain range only
if select.lower() in [2, 'i', 'index']:
select = 2
vl, vu, il, iu = 0.0, 0.0, min(select_range), max(select_range)
if min(il, iu) < 0 or max(il, iu) >= a1.shape[1]:
raise ValueError('select_range out of bounds')
max_ev = iu - il + 1
else: # 1, 'v', 'value'
select = 1
vl, vu, il, iu = min(select_range), max(select_range), 0, 0
if max_ev == 0:
max_ev = a_band.shape[1]
if eigvals_only:
max_ev = 1
# calculate optimal abstol for dsbevx (see manpage)
if a1.dtype.char in 'fF': # single precision
lamch, = get_lapack_funcs(('lamch', ), (array(0, dtype='f'), ))
else:
lamch, = get_lapack_funcs(('lamch', ), (array(0, dtype='d'), ))
abstol = 2 * lamch('s')
if a1.dtype.char in 'GFD':
bevx, = get_lapack_funcs(('hbevx', ), (a1, ))
internal_name = 'hbevx'
else: # a1.dtype.char in 'gfd'
bevx, = get_lapack_funcs(('sbevx', ), (a1, ))
internal_name = 'sbevx'
# il+1, iu+1: translate python indexing (0 ... N-1) into Fortran
# indexing (1 ... N)
w, v, m, ifail, info = bevx(a1,
vl,
vu,
il + 1,
iu + 1,
compute_v=not eigvals_only,
mmax=max_ev,
range=select,
lower=lower,
overwrite_ab=overwrite_a_band,
abstol=abstol)
# crop off w and v
w = w[:m]
if not eigvals_only:
v = v[:, :m]
if info < 0:
raise ValueError('illegal value in %d-th argument of internal %s' %
(-info, internal_name))
if info > 0:
raise LinAlgError("eig algorithm did not converge")
if eigvals_only:
return w
return w, v
def svd(a, full_matrices=True, compute_uv=True, overwrite_a=False):
"""Singular Value Decomposition.
Factorizes the matrix a into two unitary matrices U and Vh and
an 1d-array s of singular values (real, non-negative) such that
a == U S Vh if S is an suitably shaped matrix of zeros whose
main diagonal is s.
Parameters
----------
a : array, shape (M, N)
Matrix to decompose
full_matrices : boolean
If true, U, Vh are shaped (M,M), (N,N)
If false, the shapes are (M,K), (K,N) where K = min(M,N)
compute_uv : boolean
Whether to compute also U, Vh in addition to s (Default: true)
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
Returns
-------
U: array, shape (M,M) or (M,K) depending on full_matrices
s: array, shape (K,)
The singular values, sorted so that s[i] >= s[i+1]. K = min(M, N)
Vh: array, shape (N,N) or (K,N) depending on full_matrices
For compute_uv = False, only s is returned.
Raises LinAlgError if SVD computation does not converge
Examples
--------
>>> from scipy import random, linalg, allclose, dot
>>> a = random.randn(9, 6) + 1j*random.randn(9, 6)
>>> U, s, Vh = linalg.svd(a)
>>> U.shape, Vh.shape, s.shape
((9, 9), (6, 6), (6,))
>>> U, s, Vh = linalg.svd(a, full_matrices=False)
>>> U.shape, Vh.shape, s.shape
((9, 6), (6, 6), (6,))
>>> S = linalg.diagsvd(s, 6, 6)
>>> allclose(a, dot(U, dot(S, Vh)))
True
>>> s2 = linalg.svd(a, compute_uv=False)
>>> allclose(s, s2)
True
See also
--------
svdvals : return singular values of a matrix
diagsvd : return the Sigma matrix, given the vector s
"""
# A hack until full_matrices == 0 support is fixed here.
if full_matrices == 0:
import numpy.linalg
return numpy.linalg.svd(a, full_matrices=0, compute_uv=compute_uv)
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError('expected matrix')
m, n = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
gesdd, = get_lapack_funcs(('gesdd', ), (a1, ))
if gesdd.module_name[:7] == 'flapack':
lwork = calc_lwork.gesdd(gesdd.prefix, m, n, compute_uv)[1]
u, s, v, info = gesdd(a1,
compute_uv=compute_uv,
lwork=lwork,
overwrite_a=overwrite_a)
else: # 'clapack'
raise NotImplementedError('calling gesdd from %s' % gesdd.module_name)
if info > 0:
raise LinAlgError("SVD did not converge")
if info < 0:
raise ValueError('illegal value in %d-th argument of internal gesdd' %
-info)
if compute_uv:
return u, s, v
else:
return s
def qr(a, overwrite_a=False, lwork=None, econ=None, mode='qr'):
"""Compute QR decomposition of a matrix.
Calculate the decomposition :lm:`A = Q R` where Q is unitary/orthogonal
and R upper triangular.
Parameters
----------
a : array, shape (M, N)
Matrix to be decomposed
overwrite_a : boolean
Whether data in a is overwritten (may improve performance)
lwork : integer
Work array size, lwork >= a.shape[1]. If None or -1, an optimal size
is computed.
econ : boolean
Whether to compute the economy-size QR decomposition, making shapes
of Q and R (M, K) and (K, N) instead of (M,M) and (M,N). K=min(M,N).
Default is False.
mode : {'qr', 'r'}
Determines what information is to be returned: either both Q and R
or only R.
Returns
-------
(if mode == 'qr')
Q : double or complex array, shape (M, M) or (M, K) for econ==True
(for any mode)
R : double or complex array, shape (M, N) or (K, N) for econ==True
Size K = min(M, N)
Raises LinAlgError if decomposition fails
Notes
-----
This is an interface to the LAPACK routines dgeqrf, zgeqrf,
dorgqr, and zungqr.
Examples
--------
>>> from scipy import random, linalg, dot
>>> a = random.randn(9, 6)
>>> q, r = linalg.qr(a)
>>> allclose(a, dot(q, r))
True
>>> q.shape, r.shape
((9, 9), (9, 6))
>>> r2 = linalg.qr(a, mode='r')
>>> allclose(r, r2)
>>> q3, r3 = linalg.qr(a, econ=True)
>>> q3.shape, r3.shape
((9, 6), (6, 6))
"""
if econ is None:
econ = False
else:
warn("qr econ argument will be removed after scipy 0.7. "
"The economy transform will then be available through "
"the mode='economic' argument.", DeprecationWarning)
a1 = asarray_chkfinite(a)
if len(a1.shape) != 2:
raise ValueError("expected 2D array")
M, N = a1.shape
overwrite_a = overwrite_a or (_datanotshared(a1, a))
geqrf, = get_lapack_funcs(('geqrf',), (a1,))
if lwork is None or lwork == -1:
# get optimal work array
qr, tau, work, info = geqrf(a1, lwork=-1, overwrite_a=1)
lwork = work[0]
qr, tau, work, info = geqrf(a1, lwork=lwork, overwrite_a=overwrite_a)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal geqrf"
% -info)
if not econ or M < N:
R = special_matrices.triu(qr)
else:
R = special_matrices.triu(qr[0:N, 0:N])
if mode == 'r':
return R
if find_best_lapack_type((a1,))[0] == 's' or \
find_best_lapack_type((a1,))[0] == 'd':
gor_un_gqr, = get_lapack_funcs(('orgqr',), (qr,))
else:
gor_un_gqr, = get_lapack_funcs(('ungqr',), (qr,))
if M < N:
# get optimal work array
Q, work, info = gor_un_gqr(qr[:,0:M], tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qr[:,0:M], tau, lwork=lwork, overwrite_a=1)
elif econ:
# get optimal work array
Q, work, info = gor_un_gqr(qr, tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qr, tau, lwork=lwork, overwrite_a=1)
else:
t = qr.dtype.char
qqr = numpy.empty((M, M), dtype=t)
qqr[:,0:N] = qr
# get optimal work array
Q, work, info = gor_un_gqr(qqr, tau, lwork=-1, overwrite_a=1)
lwork = work[0]
Q, work, info = gor_un_gqr(qqr, tau, lwork=lwork, overwrite_a=1)
if info < 0:
raise ValueError("illegal value in %d-th argument of internal gorgqr"
% -info)
return Q, R
