Available algorithms
Orthogonalization algorithms
KrylovKit.Orthogonalizer
— Typeabstract type Orthogonalizer
Supertype of a hierarchy for representing different orthogonalization strategies or algorithms.
See also: ClassicalGramSchmidt
, ModifiedGramSchmidt
, ClassicalGramSchmidt2
, ModifiedGramSchmidt2
, ClassicalGramSchmidtIR
, ModifiedGramSchmidtIR
.
KrylovKit.ClassicalGramSchmidt
— TypeClassicalGramSchmidt()
Represents the classical Gram Schmidt algorithm for orthogonalizing different vectors, typically not an optimal choice.
KrylovKit.ModifiedGramSchmidt
— TypeModifiedGramSchmidt()
Represents the modified Gram Schmidt algorithm for orthogonalizing different vectors, typically a reasonable choice for linear systems but not for eigenvalue solvers with a large Krylov dimension.
KrylovKit.ClassicalGramSchmidt2
— TypeClassicalGramSchmidt2()
Represents the classical Gram Schmidt algorithm with a second reorthogonalization step always taking place.
KrylovKit.ModifiedGramSchmidt2
— TypeModifiedGramSchmidt2()
Represents the modified Gram Schmidt algorithm with a second reorthogonalization step always taking place.
KrylovKit.ClassicalGramSchmidtIR
— TypeClassicalGramSchmidtIR(η::Real = 1/sqrt(2))
Represents the classical Gram Schmidt algorithm with iterative (i.e. zero or more) reorthogonalization until the norm of the vector after an orthogonalization step has not decreased by a factor smaller than η
with respect to the norm before the step. The default value corresponds to the Daniel-Gragg-Kaufman-Stewart condition.
KrylovKit.ModifiedGramSchmidtIR
— TypeModifiedGramSchmidtIR(η::Real = 1/sqrt(2))
Represents the modified Gram Schmidt algorithm with iterative (i.e. zero or more) reorthogonalization until the norm of the vector after an orthogonalization step has not decreased by a factor smaller than η
with respect to the norm before the step. The default value corresponds to the Daniel-Gragg-Kaufman-Stewart condition.
General Krylov algorithms
KrylovKit.Lanczos
— TypeLanczos(; krylovdim = KrylovDefaults.krylovdim, maxiter = KrylovDefaults.maxiter,
tol = KrylovDefaults.tol, orth = KrylovDefaults.orth, eager = false, verbosity = 0)
Represents the Lanczos algorithm for building the Krylov subspace; assumes the linear operator is real symmetric or complex Hermitian. Can be used in eigsolve
and exponentiate
. The corresponding algorithms will build a Krylov subspace of size at most krylovdim
, which will be repeated at most maxiter
times and will stop when the norm of the residual of the Lanczos factorization is smaller than tol
. The orthogonalizer orth
will be used to orthogonalize the different Krylov vectors. Eager mode, as selected by eager = true
, means that the algorithm that uses this Lanczos process (e.g. eigsolve
) can try to finish its computation before the total Krylov subspace of dimension krylovdim
is constructed. Default verbosity level verbosity
is zero, meaning that no output will be printed.
Use Arnoldi
for non-symmetric or non-Hermitian linear operators.
See also: factorize
, eigsolve
, exponentiate
, Arnoldi
, Orthogonalizer
KrylovKit.Arnoldi
— TypeArnoldi(; krylovdim = KrylovDefaults.krylovdim, maxiter = KrylovDefaults.maxiter,
tol = KrylovDefaults.tol, orth = KrylovDefaults.orth, eager = false, verbosity = 0)
Represents the Arnoldi algorithm for building the Krylov subspace for a general matrix or linear operator. Can be used in eigsolve
and exponentiate
. The corresponding algorithms will build a Krylov subspace of size at most krylovdim
, which will be repeated at most maxiter
times and will stop when the norm of the residual of the Arnoldi factorization is smaller than tol
. The orthogonalizer orth
will be used to orthogonalize the different Krylov vectors. Eager mode, as selected by eager = true
, means that the algorithm that uses this Arnoldi process (e.g. eigsolve
) can try to finish its computation before the total Krylov subspace of dimension krylovdim
is constructed. Default verbosity level verbosity
is zero, meaning that no output will be printed.
Use Lanczos
for real symmetric or complex Hermitian linear operators.
See also: eigsolve
, exponentiate
, Lanczos
, Orthogonalizer
Specific algorithms for linear systems
KrylovKit.CG
— TypeCG(; maxiter = KrylovDefaults.maxiter, tol = KrylovDefaults.tol)
Construct an instance of the conjugate gradient algorithm with specified parameters, which can be passed to linsolve
in order to iteratively solve a linear system with a positive definite (and thus symmetric or hermitian) coefficient matrix or operator. The CG
method will search for the optimal x
in a Krylov subspace of maximal size maxiter
, or stop when norm(A*x - b) < tol
. Default verbosity level verbosity
is zero, meaning that no output will be printed.
KrylovKit.MINRES
— TypeMINRES(; maxiter = KrylovDefaults.maxiter, tol = KrylovDefaults.tol)
!!! warning "Not implemented yet"
Construct an instance of the conjugate gradient algorithm with specified parameters,
which can be passed to `linsolve` in order to iteratively solve a linear system with a
real symmetric or complex hermitian coefficient matrix or operator. The `MINRES` method
will search for the optimal `x` in a Krylov subspace of maximal size `maxiter`, or stop
when `norm(A*x - b) < tol`. In building the Krylov subspace, `MINRES` will use the
orthogonalizer `orth`. Default verbosity level `verbosity` is zero, meaning that no
output will be printed.
KrylovKit.GMRES
— TypeGMRES(; krylovdim = KrylovDefaults.krylovdim, maxiter = KrylovDefaults.maxiter,
tol = KrylovDefaults.tol, orth::Orthogonalizer = KrylovDefaults.orth)
Construct an instance of the GMRES algorithm with specified parameters, which can be passed to linsolve
in order to iteratively solve a linear system. The GMRES
method will search for the optimal x
in a Krylov subspace of maximal size krylovdim
, and repeat this process for at most maxiter
times, or stop when norm(A*x - b) < tol
. In building the Krylov subspace, GMRES
will use the orthogonalizer orth
. Default verbosity level verbosity
is zero, meaning that no output will be printed.
Note that in the traditional nomenclature of GMRES
, the parameter krylovdim
is referred to as the restart parameter, and maxiter
is the number of outer iterations, i.e. restart cycles. The total iteration count, i.e. the number of expansion steps, is roughly krylovdim
times the number of iterations.
KrylovKit.BiCG
— TypeBiCG(; maxiter = KrylovDefaults.maxiter, tol = KrylovDefaults.tol)
!!! warning "Not implemented yet"
Construct an instance of the Biconjugate gradient algorithm with specified parameters,
which can be passed to `linsolve` in order to iteratively solve a linear system general
linear map, of which the adjoint can also be applied. The `BiCG` method will search for
the optimal `x` in a Krylov subspace of maximal size `maxiter`, or stop when `norm(A*x -
b) < tol`. Default verbosity level `verbosity` is zero, meaning that no output will be
printed.
KrylovKit.BiCGStab
— TypeBiCGStab(; maxiter = KrylovDefaults.maxiter, tol = KrylovDefaults.tol)
Construct an instance of the Biconjugate gradient algorithm with specified parameters,
which can be passed to `linsolve` in order to iteratively solve a linear system general
linear map. The `BiCGStab` method will search for the optimal `x` in a Krylov subspace
of maximal size `maxiter`, or stop when `norm(A*x - b) < tol`. Default verbosity level
`verbosity` is zero, meaning that no output will be printed.
Specific algorithms for generalized eigenvalue problems
KrylovKit.GolubYe
— TypeGolubYe(; krylovdim = KrylovDefaults.krylovdim, maxiter = KrylovDefaults.maxiter,
tol = KrylovDefaults.tol, orth = KrylovDefaults.orth, verbosity = 0)
Represents the Golub-Ye algorithm for solving hermitian (symmetric) generalized eigenvalue problems A x = λ B x
with positive definite B
, without the need for inverting B
. Builds a Krylov subspace of size krylovdim
starting from an estimate x
by acting with (A - ρ(x) B)
, where ρ(x) = dot(x, A*x)/dot(x, B*x)
, and employing the Lanczos algorithm. This process is repeated at most maxiter
times. In every iteration k>1
, the subspace will also be expanded to size krylovdim+1
by adding $x_k - x_{k-1}$, which is known as the LOPCG correction and was suggested by Money and Ye. With krylovdim = 2
, this algorithm becomes equivalent to LOPCG
.
Specific algorithms for singular value problems
KrylovKit.GKL
— TypeGKL(; krylovdim = KrylovDefaults.krylovdim, maxiter = KrylovDefaults.maxiter,
tol = KrylovDefaults.tol, orth = KrylovDefaults.orth, verbosity = 0)
Represents the Golub-Kahan-Lanczos bidiagonalization algorithm for sequentially building a Krylov-like factorization of a general matrix or linear operator with a bidiagonal reduced matrix. Can be used in svdsolve
. The corresponding algorithm builds a Krylov subspace of size at most krylovdim
, which will be repeated at most maxiter
times and will stop when the norm of the residual of the Arnoldi factorization is smaller than tol
. The orthogonalizer orth
will be used to orthogonalize the different Krylov vectors. Default verbosity level verbosity
is zero, meaning that no output will be printed.
See also: svdsolve
, Orthogonalizer
Default values
KrylovKit.KrylovDefaults
— Modulemodule KrylovDefaults
const orth = KrylovKit.ModifiedGramSchmidtIR()
const krylovdim = 30
const maxiter = 100
const tol = 1e-12
end
A module listing the default values for the typical parameters in Krylov based algorithms:
orth = ModifiedGramSchmidtIR()
: the orthogonalization routine used to orthogonalize the Krylov basis in theLanczos
orArnoldi
iterationkrylovdim = 30
: the maximal dimension of the Krylov subspace that will be constructedmaxiter = 100
: the maximal number of outer iterations, i.e. the maximum number of times the Krylov subspace may be rebuilttol = 1e-12
: the tolerance to which the problem must be solved, based on a suitable error measure, e.g. the norm of some residual.
The default value of tol
is a Float64
value, if you solve problems in Float32
or ComplexF32
arithmetic, you should always specify a new tol
as the default value will not be attainable.