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Journal of Computational and Applied
Mathematics
journal homepage:www.elsevier.com/locate/cam
The Rayleigh–Ritz method, refinement and Arnoldi process for periodic
matrix pairs
Eric King-Wah Chu
a,∗, Hung-Yuan Fan
b, Zhongxiao Jia
c, Tiexiang Li
d, Wen-Wei Lin
eaSchool of Mathematical Sciences, Building 28, Monash University, VIC 3800, Australia bDepartment of Mathematics, National Taiwan Normal University, Taipei 116, Taiwan cDepartment of Mathematical Sciences, Tsinghua University, Beijing 100084, China dDepartment of Mathematics, Southeast University, Nanjing 211189, China
eCMMSC and NCTS, Department of Applied Mathematics, National Chiao Tung University, Hsinchu 300, Taiwan
a r t i c l e i n f o Article history: Received 2 December 2009 Keywords: Arnoldi process Periodic eigenvalues Periodic matrix pairs Rayleigh–Ritz method Refinement Ritz values
a b s t r a c t
We extend the Rayleigh–Ritz method to the eigen-problem of periodic matrix pairs. Assuming that the deviations of the desired periodic eigenvectors from the corresponding periodic subspaces tend to zero, we show that there exist periodic Ritz values that converge to the desired periodic eigenvalues unconditionally, yet the periodic Ritz vectors may fail to converge. To overcome this potential problem, we minimize residuals formed with periodic Ritz values to produce the refined periodic Ritz vectors, which converge under the same assumption. These results generalize the corresponding well-known ones for Rayleigh–Ritz approximations and their refinement for non-periodic eigen-problems. In addition, we consider a periodic Arnoldi process which is particularly efficient when coupled with the Rayleigh–Ritz method with refinement. The numerical results illustrate that the refinement procedure produces excellent approximations to the original periodic eigenvectors.
© 2010 Elsevier B.V. All rights reserved. 1. Introduction
Let Ej
,
Aj∈
Cn×n(
j=
1, . . . ,
p)
, where Ej+p=
Ejand Aj+p=
Ajfor all j. We denote the periodic matrix pairs ofperiodicity p by
{
(
Aj,
Ej)}
pj=1. In this paper, the indices j for all periodic coefficient matrices are chosen in
{
1, . . . ,
p}
modulop. The equations
β
jAjxj−1=
α
jEjxj(
j=
1,
2, . . . ,
p)
(1)with x0
=
xpdefine the nonzero periodic right eigenvectors{
xj}
pj=1for complex ordered pairs{
(α
j, β
j)}
pj=1. Similarly, theequations
β
j−1yHjAj=
α
jyHj−1Ej−1(
j=
1,
2, . . . ,
p)
(2)with y0
=
ypdefine the nonzero periodic left eigenvectors{
yj}
pj=1. The ordered pairs(π
α, π
β) ≡ ∏
p
j=1
α
j, ∏
pj=1β
j
then constitute the spectrum, with the traditional eigenvalues being the quotients
π
α/π
β. Because of the possibility of infinite eigenvalues, we shall deal with spectra in their ordered pair representation, with equality interpreted in the sense of the corresponding equivalent relationship for quotients. Using the notation col[
xj]
pj=1≡ [
x⊤
1
, . . . ,
x⊤
p
]
⊤and
∗Corresponding author. Tel.: +61 412 596430; fax: +61 3 99054403.
E-mail addresses:eric.chu@sci.monash.edu.au,eric.chu@monash.edu(E.K.-W. Chu),hyfan@ntnu.edu.tw(H.-Y. Fan),jiazx@tsinghua.edu.cn(Z. Jia), txli@seu.edu.cn(T. Li),wwlin@am.nctu.edu.tw(W.-W. Lin).
0377-0427/$ – see front matter©2010 Elsevier B.V. All rights reserved. doi:10.1016/j.cam.2010.11.014
C
α
1, . . . , α
pβ
1, . . . , β
p
≡
α
1E1−
β
1A1−
β
2A2α
2E2...
...
−
β
pApα
pEp
,
(3)the eigen-equations(1)and(2)can also be written as the multivariate eigen-problems, respectively,
C
α
1, . . . , α
pβ
1, . . . , β
p
col[
xj]
pj=1=
0 (4) and
col[
yj]
pj=1
H C
α
2, . . . , α
p;
α
1β
p;
β
1. . . , β
p−1
=
0⊤.
(5)In this paper, we consider only regular periodic matrix pairs for which
det C
α
1, . . . , α
pβ
1, . . . , β
p
=
n−
k=0 ckπ
αkπ
βn−k̸≡
0,
(6)and consequently all eigenvalues
(π
α, π
β) ̸≡ (
0,
0)
. For regular periodic matrix pairs, at least one of the coefficients ck̸=
0and there are exactly n eigenvalues for
{
(
Aj,
Ej)}
pj=1, counting multiplicities. The spectrum, or the set of all eigenvalue pairs,of
{
(
Aj,
Ej)}
pj=1is denoted byλ({(
Aj,
Ej)}
pj=1)
.For the periodic matrix pairs
{
(
Aj,
Ej)}
pj=1, we have the periodic Schur decomposition of{
(
Aj,
Ej)}
pj=1[1–3].Theorem 1.1 (Periodic Schur Decomposition). Let
{
(
Aj,
Ej)}
jp=1be regular matrix pairs. There exist unitary matrices Qj,
Zj(
j=
1
,
2, . . . ,
p)
such thatQjHAjZj−1
= ˆ
Aj,
QjHEjZj= ˆ
Ej(
j=
1,
2, . . . ,
p)
are all upper triangular, with Z0
=
Zp. Moreover, the diagonal parts{[
diag(α
j1, . . . , α
jn),
diag(β
j1, . . . , β
jn)]}
pj=1of
{
(ˆ
Aj, ˆ
Ej)}
pj=1determine all the eigenvalues∏
pj=1
α
jk, ∏
pj=1β
jk
nk=1of
{
(
Aj,
Ej)}
p
j=1, which can be arranged in any order.
We can also generalize the concept of deflating subspaces as follows [4,3].
Definition. LetXj
,
Yj(
j=
1,
2, . . . ,
p)
be subspaces in Cnof equal dimension. The pairs{
(
Xj,
Yj)}
pj=1are called the periodic
deflating subspaces of
{
(
Aj,
Ej)}
pj=1ifAjXj−1
⊂
Yj,
EjXj⊂
Yj(
j=
1,
2, . . . ,
p)
withX0
=
Xp. Furthermore, the subspaces{
Xj}
pj=1are called the periodic invariant subspaces of{
(
Aj,
Ej)}
pj=1.We list some further results and definitions from [3]. (i) Theorem 1.1implies that
λ({(
Aj,
Ej)}
pj=1) = λ({(
A⊤ j
,
E ⊤ j)}
p j=1)
.(ii) An eigenvalue is said to be simple if it appears in a linear factor of the characteristic polynomial. (iii) Let Z1(j)
,
Q1(j)∈
Cn×ksatisfy(
Z(j)1
)
HZ (j) 1=
(
Q (j) 1)
HQ (j)1
=
Ik, and letXj=
span(
Z1(j)),
Yj=
span(
Q1(j))
for all j. It can beverified [3] that
{
(
Xj,
Yj)}
pj=1are periodic deflating subspaces of the regular matrix pairs
{
(
Aj,
Ej)}
pj=1if and only if there
exist unitary matrices Zj
= [
Z1(j),
Z(j) 2
]
,
Qj= [
Q1(j),
Q (j) 2] ∈
Cn ×nsuch that QjHAjZj−1=
[
A(11j) A(12j) 0 A(22j)]
,
QjHEjZj=
[
E11(j) E12(j) 0 E22(j)]
,
(7)where A11(j)
,
E11(j)∈
Ck×k, and both{
(
A(11j),
E11(j))}
pj=1and{
(
A22(j),
E22(j))}
pj=1are regular for all j. Furthermore, if the intersection of the spectra of the two sub-matrix pairs is empty, the periodic deflation subspaces{
(
Xj,
Yj)}
pj=1are called simpleperiodic deflating subspaces, and
{
Xj}
pj=1simple periodic invariant subspaces.From the periodic Schur decomposition inTheorem 1.1, we also obtain the periodic Kronecker canonical form [5–7] of
{
(
Aj,
Ej)}
p j=1.Theorem 1.2 (Periodic Kronecker Canonical Form). Suppose that the periodic matrix pairs
{
(
Aj,
Ej)}
pj=1are regular. Then thereexist nonsingular matrices Xjand Yj
(
j=
1,
2, . . . ,
p)
such thatYjHEjXj
=
[
I 0 0 E0j]
,
YjHAjXj−1=
[
Afj 0 0 I]
,
(8)where Afjand E0j are all upper triangular,
J(j)
≡
Afj+p−1Afj+p−2. . .
Afj(
j=
1,
2, . . . ,
p)
(9)are Jordan canonical forms corresponding to the finite eigenvalues of
{
(
Aj,
Ej)}
p j=1, andN(j)
≡
E0jEj0+1. . .
Ej0+p−1(
j=
1,
2, . . . ,
p)
(10)are nilpotent Jordan canonical forms corresponding to the infinite eigenvalues.
Remarks.
(i) From [4], the matrices Afj and Ej0in(8)can be further reduced to block-upper triangular. Each individual block in Afj or
E0
j relates to the corresponding Jordan block of a multiple eigenvalue of
{
(
Aj,
Ej)}
pj=1.(ii) For different values of j, the Jordan canonical forms J(j)and N(j)in(9)and(10)may have different structures. Thus, an
eigenvalue with a certain algebraic multiplicity may have different geometric multiplicities dependent on j.
The eigen-problem of the periodic matrix pairs
{
(
Aj,
Ej)}
pj=1reflects the behavior of the linear discrete-time periodicsystems
Ejxj+1
=
Ajxj(
j=
1,
2, . . . ,
p)
(11)with respect to solvability and stability [8–12]. There has been much recent interest in periodic systems. It arises in a large variety of applications, including queueing network [13,14], analysis of bifurcations and computation of multipliers [15,16], multirate sampled-data systems, chemical processes, periodic time-varying filters and networks and seasonal phenomena; see [8,9] and the references therein for further information. Note that the periodic matrix eigen-problem is mathematically equivalent to the product matrix eigen-problem and the cyclic matrix eigen-problem [17,18]. Recently, some reliable numerical algorithms have been designed for the computation of the periodic stable invariant subspaces [1,19]. Perturbation analysis of eigenvalues and periodic deflating subspaces of periodic matrix pairs have been extensively studied in [20,5,4,21]. For the large product matrix eigen-problems and the periodic matrix eigen-problems with Ej
=
I(
j=
1,
2, . . . ,
p)
,Kressner [17] presents a periodic Arnoldi process that generates orthonormal bases of certain periodic Krylov subspaces. Based on it, he proposes a periodic Arnoldi method for the product matrix eigen-problem and develops a periodic Arnoldi algorithm and a periodic Krylov–Schur algorithm.
The Rayleigh–Ritz method is widely used for the computation of approximations to an eigen-spaceXof an ordinary large matrix eigen-problem Ax
=
λ
x, from an approximating subspaceX˜
. The harmonic Rayleigh–Ritz method is an alternativefor solving the interior eigen-problem (see, e.g., [22, Chapter 4]). Furthermore, when one is concerned with eigenvalues and eigenvectors, one can compute certain refined (harmonic) Ritz vectors whose convergence is guaranteed [23–27]; see also [22].
The purpose of this paper is to generalize the concept of the Rayleigh–Ritz approximation for the periodic matrix pairs, leading to the periodic Rayleigh–Ritz approximation. We study the convergence of the periodic Ritz values and the corresponding periodic Ritz vectors and extend some of the results in [26,27,22] to the periodic Rayleigh–Ritz approximation. Similar to the ordinary eigen-problem case (when p
=
1) in [26,27,22], periodic Ritz vectors may fail to converge even if the corresponding periodic projection subspaces contain sufficiently accurate approximations to the desired periodic eigenvectors. It is thus necessary to refine the periodic Ritz vectors, as described in Section5. We shall prove the convergence of the refined periodic Ritz vectors and propose an algorithm for their computation. All the convergence results are nontrivial generalizations of some of the known ones for Rayleigh–Ritz approximations and their refinement for the ordinary eigenvalue problem in [26,27]; see also [22]. As an important special case when the periodic Arnoldi process [17] is employed to generate the periodic orthonormal bases of the periodic Krylov subspaces, the refinement can be realized much more efficiently.In the rest of the paper,
‖ · ‖
denotes both the Euclidean vector norm and the subordinate spectral matrix norm, unless otherwise stated. The conjugate of a complex numberα
is denoted byα
¯
and the unit imaginary number is denoted byι =
√
−
1.The paper is organized as follows. We first consider the Rayleigh–Ritz procedure for the periodic eigen-problem(1)in Section2. The convergence of the Ritz value pairs and their corresponding periodic Ritz vectors will be treated in Sections3
and4, respectively. In Section5, we shall establish the convergence of the refined periodic Ritz vectors and propose a numerical method to compute them. In Section6, we consider the special case when the periodic Krylov subspaces are generated by the periodic Arnoldi process. In Section7, some numerical examples are given to illustrate the accuracy of the refined periodic Ritz vectors and the sharpness of their convergence bounds. The paper concludes with a brief summary in Section8.
2. The periodic Rayleigh–Ritz approximation
As is known [17,18], the eigen-problem of the periodic matrices
{
Aj}
pj=1 is very closely related to the product matrixalgorithm and its Krylov–Schur version have been developed for solving eigenvalue problems associated with products of large and sparse matrices [17]. One of the central problems in this method is how to extract approximations to the desired eigenvalues and periodic eigenvectors from the given periodic subspaces
{ ˜
Xj}
pj=1. The algorithm is based on a variant of theRayleigh–Ritz procedure applied to the eigen-problems(1)for the periodic matrix pairs
{
(
Aj,
Ej)}
pj=1. It performs restartsand deflations via reordered periodic Schur decompositions and generates an approximate sequence of periodic subspaces
{ ˜
Xj}
pj=1containing increasingly accurate approximations to the desired periodic eigenvectors.
For the periodic subspaces
{ ˜
Xj}
pj=1, suppose that they are spanned by the periodic orthonormal bases
{
Uj}
p j=1 withdim
( ˜
Xj) =
k(
j=
1,
2, . . . ,
p)
. Compute the (thin or compact) QR-decompositionsEjUj
=
VjNj(
j=
1,
2, . . . ,
p)
(12)where VH
j Vj
=
Ikand Njis upper triangular. Let, for all j,VjHAjUj−1
=
Mj.
(13)Then(12)and(13)define the periodic Rayleigh–Ritz pairs
{
(
Mj,
Nj)}
pj=1with respect to
{
Uj}
pj=1. The following theorem shows
that for any periodic orthonormal bases
{
Uj}
pj=1, the periodic Rayleigh–Ritz pairs yield minimal residuals.Theorem 2.1. Let
{
(
Mj,
Nj)}
pj=1be the periodic Rayleigh–Ritz pairs with respect to the periodic bases{
Uj}
pj=1. Suppose that Njisnonsingular for all j. Then the residuals Rj
≡
AjUj−1−
EjUj(
N−1
j Mj
) (
j=
1,
2, . . . ,
p)
(14)are minimal in the matrix 2-norm:
min
Cj∈Ck×k
‖
AjUj−1−
EjUjCj‖ = ‖
Rj‖
.
(15)Proof. Let Pj
≡
Nj−1Mj(
j=
1,
2, . . . ,
p)
. For any Cj∈
Ck×k, denote∆j≡
Pj−
Cj. From(
I−
VjVjH)
EjUj=
0 andCjHUjHEjHEjUjPj
=
CjHU H j E H jAjUj−1, we have‖
AjUj−1−
EjUjCj‖
2=
ρ(
UjH−1A H jAjUj−1−
CjHU H j E H jAjUj−1−
UjH−1A H jEjUjCj+
CjHU H j E H j EjUjCj)
=
ρ(
UjH−1AHjAjUj−1+
∆HjUjHEjHEjUj∆j−
PjHUjHEjHEjUjPj)
=
ρ[(
UjH−1AjH−
PjHUjHEjH)(
AjUj−1−
EjUjPj) +
∆HjU H jE H j EjUj∆j]
≥
ρ(
RHjRj) = ‖
Rj‖
2,
where
ρ(·)
denotes the spectral radius.Remark. The residuals Rj’s in(14)possess the following geometric meaning
Rj
=
AjUj−1−
EjUj(
VjHEjUj)
−1(
VjHAjUj−1)
= [
I−
EjUj(
VjHEjUj)
−1VjH]
AjUj−1=
(
I−
PEjUj)
AjUj−1,
where PEjUjis the orthogonal projector onto the subspace span
(
EjUj)
. Furthermore, if Njis nonsingular, it is easily verifiedthat PEjUj
=
VjVH
j . So
‖
Rj‖
is the distance of AjUj−1from span(
Vj)
and should be minimal over all projections of AjUj−1ontospan
(
Vj) = (
EjUj)
.We now describe the periodic Rayleigh–Ritz (pRR) procedure with respect to
{
Uj}
pj=1 to approximate an eigen-pair((π
α, π
β); {
xj}
pj=1)
of the periodic matrix pairs{
(
Aj,
Ej)}
pj=1.(i) Construct the periodic orthonormal bases
{
Uj}
pj=1, where Uj
∈
Cn×k.(ii) Compute the QR-decompositions EjUj
=
VjNjwith VjHVj=
Ik(
j=
1,
2, . . . ,
p)
.(iii) Compute Mj
=
VjHAjUj−1(
j=
1,
2, . . . ,
p)
.(iv) Compute a desired eigenvalue pair
(π
µ, π
ν) ≡ ∏
pj=1µ
j, ∏
pj=1ν
j
of the periodic Rayleigh–Ritz matrix pairs
{
(
Mj,
Nj)}
pj=1and the corresponding periodic right eigenvectors{
zj}
pj=1with‖
zj‖ =
1, by using the periodic QZ algorithmwith eigenvalue reordering techniques [1,2], such that
ν
jMjzj−1=
µ
jNjzj(
j=
1,
2, . . . ,
p).
(v) Withx
˜
j≡
Ujzj, take the Ritz value pair and periodic Ritz vectors((π
µ, π
ν); {˜
xj}
pj=1
)
as an approximate eigenvalue pair3. Convergence of Ritz value pairs
Let
(π
α, π
β) ≡ ∏
pj=1α
j, ∏
p j=1β
j
be a simple eigenvalue pair of
{
(
Aj,
Ej)}
pj=1and
{
xj}
pj=1be the corresponding periodic
right eigenvectors with
‖
xj‖ =
1(
j=
1,
2, . . . ,
p)
. That is, we have
β
jAjxj−1=
α
jEjxj,
‖
xj‖ =
1(
j=
1,
2, . . . ,
p).
(16)We assume that the periodic subspaces
{ ˜
Xj}
pj=1contain accurate approximations to the periodic eigenvectors{
xj}
pj=1. Forgiven periodic orthonormal bases
{
Uj}
pj=1with[
Uj,
Uj⊥]
being unitary, we define, for all j,θ
j=
̸(
xj, ˜
Xj)
(17)v
j=
UjHxj,
v
⊥ j=
(
U ⊥ j)
H xj.
(18)Then it holds for all j that
‖
v
j⊥‖ =
sinθ
j,
‖
v
j‖ =
1
−
sin2θ
j
=
cosθ
j,
(19)assuming without loss of generality that all
θ
jare in the first quadrant. We now show that the spectrum of the periodicRayleigh–Ritz matrix pairs
(
Mj,
Nj) = (
VjHAjUj−1,
VjHEjUj) (
j=
1,
2, . . . ,
p)
(20)obtained by (iv) in the pRR approximation contains a Ritz value pair
(π
µ, π
ν) ≡ ∏
pj=1µ
j, ∏
pj=1ν
j
that converges to
(π
α, π
β)
when sinθ
j→
0 for all j.Theorem 3.1. Let
{
(
Mj,
Nj)}
pj=1be the periodic Rayleigh–Ritz matrix pairs defined by(20). Then for all j, there exist matricesEMjandENjwhich satisfy
‖
EMj‖ ≤
|
β
j|
|
α
j|
2+ |
β
j|
2 min{
ϵ
j(1), ϵ
j(2)}
(21) and‖
ENj‖ ≤
|
α
j|
|
α
j|
2+ |
β
j|
2 min{
ϵ
j(1), ϵ
(j2)}
(22) withϵ
(1) j= |
α
j|‖
Ej‖
1−
cosθ
j cosθ
j−1
+ |
α
j|‖
Ej‖
sinθ
j cosθ
j−1+ |
β
j|‖
Aj‖
tanθ
j−1 (23) andϵ
(2) j= |
β
j|‖
Ej‖
1−
cosθ
j−1 cosθ
j
+ |
α
j|‖
Ej‖
tanθ
j+ |
β
j|‖
Aj‖
sinθ
j−1 cosθ
j (24)such that
(π
α, π
β)
is an eigenvalue pair of the periodic matrix pairs{
(
Mj+
EMj,
Nj+
ENj)}
p j=1. Proof. As
[
Uj,
Uj⊥]
(
j=
1,
2, . . . ,
p)
are unitary, pre-multiplying the equations in(16)by V H j producesβ
jVjHAj[
Uj−1,
Uj⊥−1]
UjH−1(
Uj⊥−1)
H
xj−1−
α
jVjHEj[
Uj,
Uj⊥]
UjH(
Uj⊥)
H
xj=
0.
From(18)and(20), it follows that
β
j(
Mjv
j−1+
VjHAjUj⊥−1v
⊥
j−1
) − α
j(
Njv
j+
VjHEjUj⊥v
⊥
j
) =
0.
(25)Let
v
ˆ
j≡
v
j/‖v
j‖
(
j=
1,
2, . . . ,
p)
. Dividing(25)by‖
v
j−1‖
, we obtain, for all j,β
jMjv
ˆ
j−1−
α
jNjv
ˆ
j=
α
jNjv
ˆ
j‖
v
j‖
‖
v
j−1‖
−
α
jNjv
ˆ
j+
α
jVjHEjUj⊥v
⊥ j‖
v
j−1‖
−
β
jVjHAjUj⊥−1v
⊥ j−1‖
v
j−1‖
.
(26)If we define the residuals
rj
≡
β
jMjv
ˆ
j−1−
α
jNjv
ˆ
j(
j=
1,
2, . . . ,
p),
(27)then(26),(19)and(23)imply
‖
rj‖ ≤
ϵ
(1)
j . Similarly, dividing(25)by
‖
v
j‖
yields‖
rj‖ ≤
ϵ
(2)
j , and consequently
‖
rj‖ ≤
min
{
ϵ
j(1), ϵ
(j2)}
. Next we define, for all j,EMj
≡
− ¯
β
j|
α
j|
2+ |
β
j|
2 rjv
ˆ
Hj−1,
ENj≡
¯
α
j|
α
j|
2+ |
β
j|
2 rjv
ˆ
jH.
(28)It then follows from(27)and(28)that
α
j(
Nj+
ENj)ˆv
j=
β
j(
Mj+
EMj)ˆv
j−1(
j=
1,
2, . . . ,
p)
(29)withEMjandENjsatisfying(21)and(22)by construction.
Remark.
(i) Though
ϵ
j(1), ϵ
j(2)→
0 asθ
j→
0 for j=
1,
2, . . . ,
p, they are somehow complex and less clear. We shall simplify them,first by defining
ϵ =
maxj=1,2,...,psinθ
j. Applying Taylor expansions and observing that
1−
cosθ
j cosθ
j−1
,
1−
cosθ
j−1 cosθ
j
=
O(ϵ
2),
we obtain, by ignoring higher order small terms,
ϵ
(1)j
, ϵ
(2)
j
≤
(|α
j| ‖
Ej‖ + |
β
j| ‖
Aj‖
)ϵ.
(30)FromTheorem 3.1and the continuity of the eigenvalues of
{
(
Mj,
Nj)}
pj=1, we immediately have the following corollary. Corollary 3.2. There exists a Ritz value pair
(π
µ, π
ν)
that converges to the simple eigenvalue pair(π
α, π
β)
when sinθ
j→
0 forall j.
4. Convergence of periodic Ritz vectors
FromTheorem 1.1, there are unitary matrices
[
xj,
Xj]
and[
yj,
Yj]
, with Xj,
Yj∈
Cn×(n−1), such that[
yHj YjH]
Aj[
xj−1,
Xj−1] =
[
α
j lHj 0 Lj]
,
[
yHj YjH]
Ej[
xj,
Xj] =
[
β
j kHj 0 Kj]
,
(31)where the matrices Ljand Kjare
(
n−
1) × (
n−
1)
for j=
1,
2, . . . ,
p. The periodic eigenvalue pairs of the periodicmatrix pairs
{
(
Lj,
Kj)}
pj=1are the periodic eigenvalue pairs of{
(
Aj,
Ej)}
pj=1other than(π
α, π
β)
. Also,(31)implies the spectraldecompositions Aj
=
α
jyjxHj−1+
yjljHXjH−1+
YjLjXjH−1 (32) and Ej=
β
jyjxHj+
yjkHjX H j+
YjKjXjH.
(33)For any approximate eigen-pair, we have the following residual bound for the approximate eigenvectors.
Theorem 4.1. Let
{
(
Aj,
Ej)}
pj=1 have the spectral representations(32)and(33)with[
xj,
Xj]
and[
yj,
Yj]
being unitary for allj
, ((π
α˜, π
β˜); {˜
xj}
pj=1)
be an approximation to the simple eigen-pair((π
α, π
β); {
xj}
pj=1)
,τ
j≡ ˜
α
jEj˜
xj− ˜
β
jAj˜
xj−1(
j=
1,
2, . . . ,
p),
(34) and sep((π
α˜, π
β˜), {(
Lj,
Kj)}
pj=1) ≡ ‖
C −1‖
−1 (35) with C≡
˜
α
1K1− ˜
β
1L1− ˜
β
2L2α
˜
2K2...
...
− ˜
β
pLpα
˜
pKp
.
If sep
((π
α˜, π
β˜), {(
Lj,
Kj)}
p j=1) >
0, then
p−
j=1 sin2̸(
x j, ˜
xj) ≤
p∑
j=1‖
τ
j‖
2 sep((π
α˜, π
β˜), {(
Lj,
Kj)}
pj=1)
.
(36)Proof. Pre-multiplying(34)by YjH, we get, with the help of(32)and(33),
YjH
τ
j= ˜
α
jYjHEjx˜
j− ˜
β
jYjHAj˜
xj−1= ˜
α
jKjXjHx˜
j− ˜
β
jLjXjH−1x˜
j−1.
(37) This implies C
X1Hx˜
1...
XpHx˜
p
=
Y1Hτ
1...
YpHτ
p
.
(38)Note thatCis invertible in the neighborhood of
(π
α, π
β)
if and only if the eigenvalue pair(π
α, π
β)
is simple. As[
xj,
Xj]
isunitary, we have sin̸
(
xj
, ˜
xj) ≡ ‖
XjHx˜
j‖
for all j. Note that‖
YjHτ
j‖ ≤ ‖
τ
j‖
for all j. The theorem then follows from invertingCin(38)and taking norms.
Theorem 4.1leads easily to the following corollary.
Corollary 4.2. For j
=
1,
2, . . . ,
p, we havesin̸
(
x j, ˜
xj) ≤
√
p max j=1,2,...,p‖
τ
j‖
sep((π
α˜, π
β˜), {(
Lj,
Kj)}
pj=1)
.
(39)InCorollary 3.2, we see that there is a Ritz value pair
(π
µ, π
ν)
approaching the simple eigenvalue pair(π
α, π
β)
when sinθ
j→
0 for all j. If, in addition, the p residual norms‖
τ
j‖
(
j=
1,
2, . . . ,
p)
defined in(34)approach zero, the periodic Ritzvectors
{˜
xj}
pj=1converge to the periodic right eigenvectors
{
xj}
pj=1. Thus,Theorem 4.1andCorollary 4.2show that a converging
Ritz value pair and vanishing residuals imply the convergence of the periodic Ritz vectors since
‖
C−1‖
is uniformly boundedwhen
(π
µ, π
ν)
converges to the simple eigenvalue(π
α, π
β)
.When p
=
1, it has been proved that the Ritz vector may fail to converge for a (nearly) multiple Ritz value (see, e.g. [26,27]). We now perform a convergence analysis of the periodic Ritz vectors and establish some a priori error bounds, showing why the periodic Ritz vectors can fail to converge. Let the periodic Ritz pair
((π
µ, π
ν); {˜
xj}
pj=1)
be used to approximate thesimple periodic eigen-pair
((π
α, π
β); {
xj}
pj=1)
.Again, fromTheorem 1.1, there are unitary matrices
[
zj,
Zj]
and[
w
j,
Wj]
, with Zj,
Wj∈
Cr×(r−1), such that[
w
H j WjH]
Mj[
zj−1,
Zj−1] =
[
µ
j dHj 0 Dj]
,
[
w
H j WjH]
Nj[
zj,
Zj] =
[
ν
j fjH 0 Fj]
,
(40)where the matrices Djand Fjare
(
k−
1) × (
k−
1)
for j=
1,
2, . . . ,
p.Since the only assumption on
{ ˜
Xj}
pj=1is that they contain accurate approximations to the periodic eigenvectors
{˜
xj}
p j=1,the eigenvalue pairs of
{
(
Dj,
Fj)}
pj=1 are not necessarily near the eigenvalue pairs of{
(
Aj,
Ej)}
pj=1 rather than(π
µ, π
ν)
.Particularly, this means that an eigenvalue pair of
{
(
Dj,
Fj)}
pj=1could be arbitrarily near and even equal to the Ritz valuepair
(π
µ, π
ν)
. For a multiple(π
µ, π
ν)
, there are more than one{˜
xj}
pj=1 to approximate the unique periodic eigenvectors
{
xj}
pj=1. It will be impossible for the periodic Rayleigh–Ritz method to tell which particular approximation is better. If(π
µ, π
ν)
is near an eigenvalue of{
(
Dj,
Fj)}
pj=1, we will get a unique periodic{˜
x}
p
j=1, but there is no guarantee that it converges
to
{
xj}
pj=1.The above analysis leads us to postulate that the periodic Ritz vectors
{˜
x}
pj=1 will converge provided that(π
µ, π
ν)
is uniformly away from those eigenvalues (other Ritz values) of{
(
Dj,
Fj)}
pj=1, independent ofθ
j,
j=
1,
2, . . . ,
p. We nextprove that this is indeed the case quantitatively.
Theorem 4.3. Assume that the periodic Rayleigh–Ritz pairs
{
(
Mj,
Nj)}
pj=1have the spectral decompositions(40)andsep
((π
α, π
β), {(
Dj,
Fj)}
pj=1) ≡ ‖ ˆ
Cwith
ˆ
C≡
α
1F1−
β
1D1−
β
2D2α
2F2...
...
−
β
pDpα
pKp
.
Let
ϵ =
maxj=1,2,...,psinθ
j. Then for j=
1,
2, . . . ,
p, we havesin̸
(
xj, ˜
xj) ≤
sinθ
j+
√
p max{
min{
ϵ
j(1), ϵ
j(2)}}
sep((π
α, π
β), {(
Dj,
Fj)}
pj=1)
(42)≤
1+
√
p(|α
j| ‖
Ej‖ + |
β
j| ‖
Aj‖
)
sep((π
α, π
β), {(
Dj,
Fj)}
p j=1)
ϵ
(43)with
ϵ
j(1), ϵ
j(2)defined as in(23)and(24).Proof. Let the periodic Ritz pair
((π
µ, π
ν); {˜
xj}
pj=1)
be an approximation to the periodic eigen-pair((π
α, π
β); {
xj}
pj=1)
. As inthe proof ofTheorem 3.1, let
v
ˆ
j=
UHj xj
/‖
UjHxj‖
. Then we getrj
≡
β
jMjv
ˆ
j−1−
α
jNjv
ˆ
j(
j=
1,
2, . . . ,
p),
which is defined by(26). It is seen from the proof ofTheorem 3.1that
‖
rj‖ ≤
min{
ϵ
j(1), ϵ
(2)
j
}
with
ϵ
(j1), ϵ
j(2)in(23)and(24).Note that we can regard
((π
α, π
β); {ˆv
j}
jp=1)
as an approximate periodic eigen-pair to the periodic eigen-pair((π
µ, π
ν);
{
zj}
pj=1)
of{
(
Mj,
Nj)}
pj=1. Then fromCorollary 4.2, it follows for j=
1,
2, . . . ,
p thatsin̸
(
z j, ˆv
j) ≤
√
p max j=1,2,...,p‖
rj‖
sep((π
α, π
β), {(
Dj,
Fj)}
pj=1)
≤
√
p max j=1,2,...,pmin{
ϵ
j(1), ϵ
(j2)}
sep((π
α, π
β), {(
Dj,
Fj)}
pj=1)
.
Since Ujis orthonormal for j
=
1,
2, . . . ,
p, we have from the definitions ofx˜
j, ˆv
jandθ
jthatsin̸
(
zj
, ˆv
j) =
sin̸(
Ujzj,
Ujv
ˆ
j) =
sin̸(˜
xj,
UjUjHxj).
Note the triangle inequality
̸
(
xj
, ˜
xj) ≤
̸(
xj,
UjUjHxj) +
̸(
UjUjHxj, ˜
xj) =
̸(
xj, ˜
Xj) +
̸(˜
xj,
UjUjHxj)
with the equality holding when the vectors xj
, ˜
xjand UjUjHxjare linearly dependent. Therefore, we getsin̸
(
x j, ˜
xj) ≤
sinθ
j+
sin̸(
zj, ˆv
j)
≤
sinθ
j+
√
p max j=1,2,...,p{
min{
ϵ
j(1), ϵ
(j2)}}
sep((π
α, π
β), {(
Dj,
Fj)}
pj=1)
,
which proves(42). Furthermore, from(30)we get(43).
FromTheorem 3.1, since the Ritz value pair
(π
µ, π
ν)
approaches the eigenvalue pair(π
α, π
β)
asθ
j→
0 for j=
1,
2
, . . . ,
p, by the continuity argument we havesep
((π
α, π
β), {(
Dj,
Fj)}
pj=1) →
sep((π
µ, π
ν), {(
Dj,
Fj)}
pj=1).
We see that a sufficient condition for the convergence of the periodic Ritz vectors
{˜
xj}
pj=1is that sep((π
µ, π
ν), {(
Dj,
Fj)}
pj=1)
is uniformly bounded away from zero. This condition can be checked during the procedure. However, as we have argued above, sep
((π
µ, π
ν), {(
Dj,
Fj)}
p
j=1
)
can be arbitrarily small (and even be exactly zero) when(π
µ, π
ν)
is arbitrarily near othereigenvalue pairs (or is associated with a multiple eigenvalue pair) of
{
(
Mj,
Nj)}
pj=1. Consequently, while the periodic Ritzvalue pair converges unconditionally once
θ
j→
0 for j=
1,
2, . . . ,
p, its corresponding periodic Ritz vectors may fail to5. Refinement of periodic Ritz vectors
As we have seen, the periodic Ritz vectors may fail to converge. Since the Ritz value pair is known to converge to the simple eigenvalue pair
(π
α, π
β)
when sinθ
j→
0 for all j, this suggests that we can deal with non-converging Ritz vectorsby retaining the Ritz value pair while replacing the periodic Ritz vectors with a set of unit vectors
ˆ
xj∈ ˜
Xj=
span(
Uj) (
j=
1,
2
, . . . ,
p)
with suitably small residuals. Thus, we constructxˆ
j(
j=
1,
2, . . . ,
p)
frommin ˆ xj
p−
j=1‖
µ
jEjxˆ
j−
ν
jAjˆ
xj−1‖
2 subject toˆ
xj∈
span(
Uj), ‖ˆ
xj‖ =
1(
j=
1,
2. . . ,
p).
(44)We call the minimizer
{ˆ
xj}
pj=1, the refined periodic Ritz vectors.The following theorem shows that the refined periodic Ritz vectors converge when sin
θ
j→
0 for all j.Theorem 5.1. Let
{
(
Aj,
Ej)}
pj=1have spectral representations(32)and(33), where‖
xj‖ =
1 for all j. Let(π
µ, π
ν) ≡ (∏
pj=1µ
j,
∏
pj=1
ν
j)
be a Ritz value pair with respect to the orthonormal bases{
Uj}
pj=1and let{ˆ
xj}
be the corresponding refined periodic Ritzvectors. If sep
((π
µ, π
ν), {(
Lj,
Kj)}
p j=1) >
0, then sin̸(
x j, ˆ
xj) ≤
‖
η‖
sep((π
µ, π
ν), {(
Lj,
Kj)}
pj=1)
(
j=
1,
2, . . . ,
p),
(45) whereη = [η
1, . . . , η
p]
⊤andη
j≡
ρ
j+
2|
µ
j||
β
j|
sin2θj−12+
2|
ν
j||
α
j|
sin2θ2j cosθ
j−1cosθ
j+
|
µ
j|‖
Ej‖
sinθ
j cosθ
j+
|
ν
j|‖
Aj‖
sinθ
j−1 cosθ
j−1 (46)with
ρ
j≡ |
µ
jβ
j−
α
jν
j|
for all j.Proof. Let xj
=
qj+
q⊥j , where qj=
UjUjHxjand q⊥j=
(
I−
UjUjH)
xjfor all j. Then‖
qj‖ =
cosθ
jand‖
q⊥j‖ =
sinθ
j. Define thenormalized vectors
ˆ
qj≡
qj‖
qj‖
=
qj cosθ
j,
j=
1,
2, . . . ,
p.
(47)By(47), the residuals
ˆ
rjsatisfyˆ
rj≡
µ
jEjqˆ
j−
ν
jAjqˆ
j−1=
µ
jEjqj cosθ
j−
ν
jAjqj−1 cosθ
j−1=
µ
jEj(
xj−
q⊥ j)
cosθ
j−
ν
jAj(
xj−1−
q⊥ j−1)
cosθ
j−1.
(48)Denote the ith column of the identity matrix by ei. Pre-multiplying(48)by the unitary matrixY
ˆ
jH≡ [
yj,
Yj]
Hand using(32)and(33), we have, for all j,
ˆ
YjHˆ
rj=
µ
jβ
je1 cosθ
j−
ν
jα
je1 cosθ
j−1−
µ
jˆ
YjHEjq⊥j cosθ
j+
ν
jˆ
YjHAjq⊥j−1 cosθ
j−1=
µ
jβ
jcosθ
j−1−
ν
jα
jcosθ
j cosθ
jcosθ
j−1 e1−
µ
jYˆ
jHEjq⊥j cosθ
j+
ν
jˆ
YjHAjq⊥j−1 cosθ
j−1.
(49)Using the identity cos
θ =
1−
2 sin2θ2and taking norm of(49), we obtain
‖ˆ
rj‖ ≤
η
jfor all j. By the minimization in(44),we also have p
−
j=1‖
µ
jEjxˆ
j−
ν
jAjxˆ
j−1‖
2≤
p−
j=1‖ˆ
rj‖
2≤ ‖
η‖
2.
(50)The inequalities(45)then follow fromTheorem 4.1and(50).
Since
(π
µ, π
ν)
converges to(π
α, π
β)
asθ
j→
0 for j=
1,
2, . . . ,
p, we havesep
((π
µ, π
ν), {(
Lj,
Kj)}
pj=1
) →
sep((π
α, π
β), {(
Lj,
Kj)}
p j=1),
which is a positive constant independent of the procedure, whenever
(π
α, π
β)
is a simple eigenvalue pair of{
(
Aj,
Ej)}
p j=1. SoRemarks. In order to ensure the convergence of
ρ
j, we should renormalize the complex ordered pairs{
(α
j, β
j)}
pj=1 and{
(µ
j, ν
j)}
pj=1inTheorem 5.1by periodic complex numbers of modulo one so that (i)
α
j:= |
α
j|
,
β
j:= |
β
j|
(
j=
1,
2, . . . ,
p−
1),
α
p:= |
α
p|
e ι p ∑ j=1 arg(αj)−arg(βj) ,
β
p:= |
β
p|
,
wheneverπ
α̸=
0 andπ
β̸=
0; (ii)α
j:= |
α
j|
,
β
j:= |
β
j|
(
j=
1,
2, . . . ,
p),
whenever
π
α=
0 orπ
β=
0. A similar renormalization for{
(µ
j, ν
j)}
pj=1can also be carried out. With these new normalized ordered pairs{
(α
j, β
j)}
pj=1and{
(µ
j, ν
j)}
pj=1, byTheorem 3.1and the periodic Bauer–Fike theorem [5], we haveρ
j→
0 whensin
θ
j→
0 for all j. It follows fromTheorem 5.1that̸(
xj, ˆ
xj) →
0; i.e., unlike the periodic Ritz vectors, the refined Ritzvectors are guaranteed to converge.
(iii) Again, let
ϵ =
maxj=1,2,...,psinθ
j. Then using Taylor expansions and ignoring higher order terms, we haveη
j≤
ρ
j+
(|µ
j| ‖
Ej‖ + |
γ
j| ‖
Aj‖
)ϵ.
(51)We now propose a numerical procedure to compute the refined periodic Ritz vectors efficiently and reliably.
From(44), the set of refined periodic Ritz vectors can be computed via the following constrained minimization problem
min ˆ z f
(ˆ
z) ≡
p−
j=1‖
µ
jEjUjzˆ
j−
ν
jAjUj−1zˆ
j−1‖
2 subject to cj(ˆ
z) ≡ ˆ
zHjzˆ
j−
1=
0(
j=
1,
2. . . ,
p),
(52)wherez
ˆ
≡ [ ˆ
z1⊤, . . . , ˆ
z⊤p]
⊤∈
Ckp. Newton’s method can be applied to the Lagrangian function of the constrainedoptimiza-tion problem(52), with the periodic Ritz vectors utilized as the feasible initial iterate. An approximate solution to(52)will be acceptable in the sense ofTheorems 3.1,4.1and5.1if the associated residuals are reasonably small.
Remarks. (i) For periodicity p
=
1, the minimization problem(44)can be solved via the singular value decomposition (SVD). Indeed, as mentioned in [26,27], it is easily seen that the refined Ritz vectorxˆ
1=
U1ˆ
z1, wherezˆ
1is the right singularvector of
(µ
1E1−
ν
1A1)
U1corresponding to its smallest singular value. Unfortunately, the refined periodic Ritz vectors{ˆ
xj}
p j=1with periodicity p
≥
2 cannot be computed via(52)by any SVD-like algorithm since, instead of‖[ ˆ
z⊤1
, ˆ
z ⊤ 2, . . . , ˆ
z ⊤ p]
⊤‖ =
1,the constraints
‖ˆ
zj‖ =
1(
j=
1,
2, . . . ,
p)
have to be satisfied simultaneously.(ii) The Newton optimization of(52)is straightforward, but can be expensive since EjUjand AjUj−1
(
j=
1,
2, . . . ,
p)
,though already available when forming the periodic Rayleigh–Ritz pairs
{
(
Mj,
Nj)}
pj=1, are n×
k. However, it is possible toreduce the optimization problem to a much smaller one when the Rayleigh–Ritz method is applied to certain special periodic Krylov subspaces. In Section6, we will consider a periodic Arnoldi process that generates periodic orthonormal bases of the periodic Krylov subspaces. Based on it, we propose the refined periodic Arnoldi method and show that Newton optimization is particularly efficient.
6. Refined periodic Ritz vectors from a periodic Arnoldi process
Recall the eigen-equations in(1):
β
jAjxj−1=
α
jEjxj(
j=
1,
2, . . . ,
p).
Without loss of generality, Ejcan be assumed to be nonsingular, as a shift can always be applied to the periodic eigenvalue
problem. To apply the Arnoldi process for matrix products [17] to our periodic matrix pairs, we may consider two different products
Pl
≡
(
Ep−1Ap)(
Ep−−11Ap−1) · · · (
E1−1A1),
Pr≡
(
ApE−p−11)(
Ap−1Ep−−12) · · · (
A1Ep−1).
First, construct A
∈
Rnp×npfrom C in(3)by substitutingα
j
=
0, β
j= −
1(
j=
1,
2, . . . ,
p)
. Similarly, denote by E thematrix constructed with
α
j=
1, β
j=
0(
j=
1,
2, . . . ,
p)
in(3). Denote C in(3)slightly differently as C(
A,
E;
α, β)
, withα = [α
1, . . . , α
p]
⊤andβ = [β
1, . . . , β
p]
⊤. From the equivalence of(1)and(2)to(4)and(5), respectively, we cansee clearly that C
(
A,
E;
α, β)
defines the periodic eigenvalue problem under consideration. An appropriate shiftσ
can be applied to C(
A,
E;
α, β)
, producing an equivalent periodic eigenvalue problem defined by C(
A,
E−
σ
A;
α, β)
. Obviously,an eigenvalue
(π
α, π
β) = (∏
pj=1α
j, ∏
pj=1
β
j)
for C(
A,
E;
α, β)
is transformed to( ˜π
α, ˜π
β) = ∏
pj=1α
j, ∏
pj=1
(β
j+
σ α
j)
forC
(
A,
E−
σ
A;
α, β)
, with identical eigenvectors andβ
j+
σα
j̸=
0 for all j.Utilizing Pl, the Arnoldi process is applied to the equivalent eigenvalue equations after inverting Ej:
β
jE−1
j Ajxj−1
=
α
jxj(
j=
1,
2, . . . ,
p),
resulting in the refinement of the corresponding periodic Ritz vectors as summarized in(52). Alternatively with Pr, we consider another set of equivalent eigenvalue equations:
β
jAjEj−−11(
Ej−1xj−1) = α
j(
Ejxj)
⇒
β
jAj(
Ej−1xj−1) = α
j(
Ejxj),
(53)whereAj
≡
AjEj−−11(
j=
1,
2, . . . ,
p)
and Pr=
∏
1k=pAk.
With the k-step periodic Arnoldi process for
{
Aj}
p j=1, we have A1Up=
U1H1, . . . ,
AjUj−1=
UjHj, . . . ,
ApUp−1=
UpHp+
hk+1,ku p k+1e ⊤ k,
(54)where H1
, . . . ,
Hp−1∈
Ck×kare upper triangular and Hp∈
Ck×kis upper Hessenberg. Denote
Hp=
H p hk+1,ke⊤k
, we have ApUp−1= [
Up|
upk+1]
Hp.
It is easy to show that Hj
=
MjNj−1(
j=
1,
2, . . . ,
p)
, with Mjand Njas defined in(20).Without loss of generality, assume
ν
j=
1(∀
j)
. We then selectxˆ
j(
j=
1,
2, . . . ,
p)
frommin ˆ xj p
−
j=1‖
Ajxˆ
j−1−
µ
jEjxˆ
j‖
2 subject toˆ
xj∈
span(
Ej−1Uj), ‖ˆ
xj‖ =
1(
j=
1,
2. . . ,
p).
(55)It is easy to show that the refinement in(55)is equivalent to the one in(44)with the periodic Arnoldi process providing
{
Uj}
, when{
Ej−1Uj}
are orthogonalized. There is no reason in doing so because of the saving in reusing computed quantitiesfrom the periodic Arnoldi process, as shown below.
From(55), the set of refined periodic Ritz vectors can be computed via the following constrained minimization problem
min ˆ z f
(ˆ
z) ≡
p−
j=1‖
Aj(
Ej−−11Uj−1)ˆ
zj−1−
µ
jEj(
Ej−1Uj)ˆ
zj‖
2 subject to‖
(
Ej−1Uj)ˆ
zj‖ =
1(
j=
1,
2. . . ,
p),
(56) wherezˆ
≡ [ ˆ
z1⊤, . . . , ˆ
z⊤ p]
⊤∈
Ckp. By(54), we have min ˆ z f(ˆ
z) ≡
p−
j=1‖
Aj(
Ej−−11Uj−1)ˆ
zj−1−
µ
jEj(
Ej−1Uj)ˆ
zj‖
2⇒
min ˆ z f(ˆ
z) ≡
p−1−
j=1‖
Uj(
Hjzˆ
j−1−
µ
jzˆ
j)‖
2+
[
Uj|
uk+1]
Hpzˆ
p−1−
µ
p[ ˆ
zp 0]
2⇒
min ˆ z f(ˆ
z) ≡
p−1−
j=1‖
Hjzˆ
j−1−
µ
jˆ
zj‖
2+
Hpzˆ
p−1−
µ
p[ ˆ
zp 0]
2.
(57)Then we consider the Lagrangian function of the constrained optimization problem(56):
L
(ˆ
z, λ) =
f(ˆ
z) +
p−
j=1λ
j(ˆ
zjHBjzˆ
j−
1),
(58) whereλ = [λ
1, . . . , λ
p]
⊤,
Bj≡
(
Ej−1Uj)
⊤(
Ej−1Uj)
.The derivatives of L
(ˆ
z, λ)
are:f1