Partial Differential Equation Toolbox™ software handles the following basic eigenvalue problem:
where λ is an unknown complex number. In solid mechanics, this is a
problem associated with wave phenomena describing, e.g., the natural modes of a vibrating
membrane. In quantum mechanics λ is the energy level of a bound state in
the potential well a(x), where x represents a 2-D or 3-D point.
The numerical solution is found by discretizing the equation and solving the resulting
algebraic eigenvalue problem. Let us first consider the discretization. Expand
u in the FEM basis, multiply with a basis element, and integrate on
the domain Ω. This yields the generalized eigenvalue equation
where the mass matrix corresponds to the right side, i.e.,
The matrices K and M are produced by calling
assema for the equations
–∇ · (c∇u) + au = 0 and
–∇ · (0∇u) + du = 0
In the most common case, when the function d(x) is positive, the mass matrix M is positive definite
symmetric. Likewise, when c(x) is
positive and we have Dirichlet boundary conditions, the stiffness matrix
K is also positive definite.
The generalized eigenvalue problem, KU = λMU, is now solved by the Arnoldi algorithm applied to a
shifted and inverted matrix with restarts until all eigenvalues in the user-specified
interval have been found.
Let us describe how this is done in more detail. You may want to look at the examples
Eigenvalues and Eigenmodes of L-Shaped Membrane or Eigenvalues and Eigenmodes of Square, where actual runs are reported.
First a shift µ is determined close to where we want to find the
eigenvalues. When both K and M are positive definite,
it is natural to take µ = 0, and get the smallest eigenvalues; in other
cases take any point in the interval [lb,ub] where eigenvalues are
sought. Subtract µM from the eigenvalue equation and get (K - µM)U =
(λ - µ)MU. Then multiply with the inverse of this shifted matrix and get
This is a standard eigenvalue problem AU = θU, with the matrix A = (K – µM)-1M and eigenvalues
where i = 1, . . ., n. The largest eigenvalues
θi of the transformed matrix
A now correspond to the eigenvalues
λi = µ +
1/θi of the original
pencil (K,M) closest to the shift
µ.
The Arnoldi algorithm computes an orthonormal basis V where the shifted
and inverted operator A is represented by a Hessenberg matrix
H,
(The subscripts mean that Vj and
Ej have j columns and
Hj,j has j rows and
columns. When no subscripts are used we deal with vectors and matrices of size
n.)
Some of the eigenvalues of this Hessenberg matrix
Hj,j eventually give good approximations to
the eigenvalues of the original pencil (K,M) when the basis grows in
dimension j, and less and less of the eigenvector is hidden in the
residual matrix Ej.
The basis V is built one column
vj at a time. The first vector
v1 is chosen at random, as
n normally distributed random numbers. In step j,
the first j vectors are already computed and form the
n ×j matrix
Vj. The next vector
vj+1 is computed by
first letting A operate on the newest vector
vj, and then making the result orthogonal
to all the previous vectors.
This is formulated as , where the column vector hj
consists of the Gram-Schmidt coefficients, and
hj+1,j
is the normalization factor that gives
vj+1 unit length. Put the
corresponding relations from previous steps in front of this and get
where Hj,j is a
j×j Hessenberg matrix with the vectors
hj as columns. The second term on the
right-hand side has nonzeros only in the last column; the earlier normalization factors show
up in the subdiagonal of Hj,j.
The eigensolution of the small Hessenberg matrix H gives approximations
to some of the eigenvalues and eigenvectors of the large matrix operator
Aj,j in the following way. Compute
eigenvalues θi and eigenvectors
si of
Hj,j,
Then yi =
Vjsi
is an approximate eigenvector of A, and its residual is
This residual has to be small in norm for θi to
be a good eigenvalue approximation. The norm of the residual is
the product of the last subdiagonal element of the Hessenberg matrix and the last element
of its eigenvector. It seldom happens that
hj+1,j
gets particularly small, but after sufficiently many steps j there are
always some eigenvectors si with small last
elements. The long vector Vj+1
is of unit norm.
It is not necessary to actually compute the eigenvector approximation
yi to get the norm of the residual; we
only need to examine the short vectors si, and
flag those with tiny last components as converged. In a typical case n
may be 2000, while j seldom exceeds 50, so all computations that involve
only matrices and vectors of size j are much cheaper than those involving
vectors of length n.
This eigenvalue computation and test for convergence is done every few steps
j, until all approximations to eigenvalues inside the interval
[lb,ub] are flagged as converged. When n is much larger than
j, this is done very often, for smaller n more
seldom. When all eigenvalues inside the interval have converged, or when
j has reached a prescribed maximum, the converged eigenvectors, or
more appropriately Schur vectors, are computed and put in the front of
the basis V.
After this, the Arnoldi algorithm is restarted with a random vector, if all approximations
inside the interval are flagged as converged, or else with the best unconverged approximate
eigenvector yi. In each step j
of this second Arnoldi run, the vector is made orthogonal to all vectors in
V including the converged Schur vectors from the previous runs. This
way, the algorithm is applied to a projected matrix, and picks up a second copy of any
double eigenvalue there may be in the interval. If anything in the interval converges during
this second run, a third is attempted and so on, until no more approximate eigenvalues
θi show up inside. Then the algorithm
signals convergence. If there are still unconverged approximate eigenvalues after a
prescribed maximum number of steps, the algorithm signals nonconvergence and reports all
solutions it has found.
This is a heuristic strategy that has worked well on both symmetric, nonsymmetric, and
even defective eigenvalue problems. There is a tiny theoretical chance of missing an
eigenvalue, if all the random starting vectors happen to be orthogonal to its eigenvector.
Normally, the algorithm restarts p times, if the maximum multiplicity of
an eigenvalue is p. At each restart a new random starting direction is
introduced.
The shifted and inverted matrix A = (K –
µM)–1M is needed only
to operate on a vector vj in the Arnoldi
algorithm. This is done by computing an LU factorization,
using the sparse MATLAB® command lu (P and Q
are permutations that make the triangular factors L and
U sparse and the factorization numerically stable). This
factorization needs to be done only once, in the beginning, then x =
Avj is computed as,
with one sparse matrix vector multiplication, a permutation, sparse forward- and
back-substitutions, and a final renumbering.