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’i 0 0
0 ’i 0
(1.1) J4(’i)--
0 0 ’i 1
0 0 0 "i
The basic theorem is that given any n n matrix with complex elements, there
exists a nonsingular matrix X such that
(1.2) X- 1AX J, AX X J,
where J, the J.c.f. of A, is block diagonal, each diagonal matrix being an elementary
Jordan block. Apart from the ordering of the blocks along the diagonal of J (which
can be arbitrary), the J.c.f. is unique, although X is far from unique. It will be
convenient to order the blocks in some standard way. Unless reference is made to
the contrary, we assume that the ]21 are in order of nonincreasing magnitude and
that the blocks associated with a specific 2i are ordered to be of nondecreasing size.
Thus if the matrix A of order 12 has only 2 distinct eigenvalues 21 and 22 with
[’1[ [’2[, and 21 is associated with 2 blocks of order 2 and one of order 3 while
* Received by the editors January 17, 1975, and in revised form July 8, 1975. This invited paper
was prepared in part and published under Contract DA HC 19-69-C-0022 with the U.S. Army Reserve
Office.
f Computer Science Department, Stanford University, Stanford, California 94305. This work
was supported in part by the National Science Foundation under Grant GJ35135X and by the Atomic
Energy Commission under Grant AT(04-3)-326PA # 30.
:I: Division of Numerical Analysis and Computing, Department of Industry, National Physical
Laboratory, Teddington, Middlesex, England.
578
ILL-CONDITIONED EIGENSYSTEMS 579
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’2 is associated with one block of order 2 and one of order 3, its J.c.f. will be
presented in the form
(1.3) J3(l)
J2(,2)
J3(22)_
Here 1 is an eigenvalue of multiplicity 2 + 2 + 3 7 and /2 of multiplicity
2 + 3 5. The example illustrates that there may be more than one block of a
given dimension associated with a specific
Let us consider the significance of the existence of a block Jr(2i) in J, where
Jr(2i) starts in rows and columns s and ends in rows and columns t, and
(1.4) r=t-s+ 1.
Equating columns s to on both sides of equation (1.2), we have
Ax 2ix , (A- 2iI)x 0,
Axe+ 2ix+ + x, (A iI)x+ Xs,
(1.5)
Axe+ 2 iXs+ 2 -[- Xs+ 1, (A 2iI)x+ 2 Xs+ 1,
-
vector of grade p, and for uniformity, an eigenvector becomes a vector of grade 1.
-
It is evident, for example, that
-
(A 2I)2(02Xs+ 2 lXs+l -[- oXs) 2Xs,
(1.8)
(A ,I)3(02xs+2 q- OlXs+ OoXs) O,
so that o2xs+ 2 OlXs+ t_ OoX is a vector of grade 3 for all 0 provided 0 2 0.
The vectors xs+ arising in the Jordan canonical reduction are special in that
=
they satisfy the chain relations (1.5). We shall refer to the vectors of grades 1, 2,
3,
,
associated with a Jordan block as principal vectors of grades 1, 2, 3, ....
Clearly det (21 Jr(2i)) (2 2) and we may associate such a .polynomial
with each of the blocks in the J.c.f. These polynomials are called the elementary
580 G. H. GOLUB AND J. H. WILKINSON
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solution is
(2.4) vi vl ) e z’’, u vl)xi e ’’,
and is therefore directly expressible in terms of the n independent eigenvectors xi
and n independent constants vl ), the initial values of the vi. Notice that the analysis
is not affected by any multiplicities in the 2i provided J is strictly diagonal. An
eigenvalue 2 of multiplicity r is then associated with r independent eigenvectors
v
and r arbitrary ). When A is defective, the linear transformation does not give
a complete decoupling of the equations, but there is a decoupling of those equations
involving the v associated with each specific block from those associated with all
other vj. The general solution is most readily exposed in terms of the concept of
(2.5) exp(B) I + B + .
the "exponential" of a matrix. We define exp (B) by the relation
1
B2 + 1
+ B" +
when
(2.6)
0 is given by
u exp (AOu
From the series expansion it will readily be verified that
.
the matrix series being convergent for all B. The solution of(2.1) such that u u
-
is a block of order 4 associated with 2; then from (1.5) we see, writing B A 2iI,
that
a b c d
a b c
(2.12) P
a b
The derogatory case, i.e., the case when there is more than one block associated
with a given 2i, may be illustrated by the case when there are blocks of orders
2 and 3 starting in positions s and t, respectively. From the two chains
Bx O,
Bx O,
(2.13) Bxs+ Xs,
Bxs + 2 Xs + 1,
ILL-CONDITIONED EIGENSYSTEMS 583
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--
B(fx,+ + gx, + hx,+ + ix,) fxs + hx,,
(2.14b) B(fxs + hx,) O,
may be derived, where the a, b,..., are arbitrary, except that a 0, h O,
and X may be varied correspondingly.
3. Sensitivity of the eigenvalues of a defective matrix. Blocks of dimension
greater than unity in the J.c.f. can emerge, if at all, only as the result of the presence
of multiple eigenvalues. In the classical theory there is a clear-cut distinction
between equal and unequal eigenvalues. In practice, the situation is very different
since a matrix may not be representable exactly in the computer and, in any case,
rounding errors are, in general, involved in computing transformations. Let us
consider the effect of small perturbations on the eigenvalues of an elementary
Jordan block Jr(2). If the zero element in position (r, 1) is replaced by the ,
characteristic equation
(3.1) (2 2) e
and the multiple eigenvalue 2 is replaced by r distinct eigenvalues 2 +
el/r(cos(2src/r) +/sin (2src/r)) (s 0,..., r- 1). Suppose 2i is of order unity,
r 10 and e 10- lo. Then the separation of the perturbed roots is of order 10-1
and they cannot in any reasonable sense be regarded as "close".
In practice, we have to diagnose multiplicities and the degree of defectiveness
from computed eigenvalues. When these are determined by a very stable algorithm,
we cannot rely on any of them being recognizably "close", even when the given A
really does have some multiple eigenvalues. When A has an elementary divisor of
high degree, this danger appears to be particularly severe.
However, even this remark somewhat oversimplifies the situation. One tends
to be seduced by the simplicity of the J.c.f. and as a result to attach too much
significance to every detail of it. When attempting to construct "difficult" matrices
for practical experiments, it is common to take a nondiagonal J.c.f., subject it to
some exact similarity transformation and then to regard the resulting matrix as
wholly typical of a defective matrix.
But this is to attach too much significance to the unity elements in the Jordan
blocks. If D diag (d) is any nonsingular diagonal matrix, then from (1.2) we have
(3.2) D- IX- AXD D- JD.
Hence if J has a unity element in position (p, p + 1), the matrix D-aJD has
d- 1, dp+ in this position" by a suitable choice of the d the unity elements may be
given arbitrary values. The choice of the unity elements in the J.c.f. is purely for
notational convenience. However, in classical mathematics we can make a sharp
584 G. H. GOLUB AND J. H. WILKINSON
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distinction between zero and nonzero elements, a luxury we are denied in practical
computation. We refer to a matrix as being in quasi-J.c.f, if the only difference
from strict J.c.f. is that some of the super-diagonals have values other than unity.
It is possible for a matrix A to be highly defective without its eigenvalues being
unduly sensitive. Suppose, for example, that A is such that there is an orthogonal
matrix X for which
(3.3) X- lAX ,
where J is of quasi-J.c.f, in which nonzero super-diagonal elements are all 10-1 o.
Perturbations of order 10-lo in J (which correspond to perturbations of order
10-1 o in A since X is orthogonal) produce perturbations of order 10-10 at most
in the eigenvalues. If IIa2 is of the order of unity, then from the point of view of
l O-digit decimal computation, the eigenvalues of A are not at all sensitive. One
cannot even rely on defectiveness being characterized by sensitivity of the corre-
sponding eigenvalues. Nevertheless it is true that O2J& O(e /"-) for some
perturbations when J has a block of order r, and hence, 2J& as e 0.
This means that if we are prepared to extend the precision of computation
indefinitely, we shall ultimately gain only one figure of accuracy for r extra figures
of precision.
At this stage, one might ask what is the "natural" quasi-J.c.f, for computa-
tional purposes. A reasonable definition is that it is the J for which the correspond-
ing IlXl[2 x-x 2 (X) is a minimum. If this j has super-diagonal elements
which are all small relative to I1112, the matrix A will not have sensitive eigenvalues.
As a final result relating small eigenvalues and small singular values, we note
the following theorem (for the definition of singular values, see 7).
<=
THEOREM. Let A be an n x n matrix with 2, e and 12,1 IjI and such that
there are p Jordan blocks of dimensions k 1, k2, "’, kp, with kl k2 <= <=
<- kp,
associated with 2,. Then if A XJX-1,
(3.4) O’n- + I(A) __< X 2 X- =11 -’+ + 0(11 -’+* + =), j 1, 2, .., p.
Proof.
a,_j+ I(A) a,_j+ l(XJX- ) aa(X)a,_j+ x(aX- x)
(3.5)
al(X)l(X- 1)n_j+ l(a).
Since the singular values of J are given by [2i(JJT)] 1/2, it is obvious that they
are singular values of the elementary Jordan blocks. Consider the k x k block
1
(3.6) K
From the form of KK T, k 1 of the singular values are close to unity and since
ILL-CONDITIONED EIGENSYSTEMS 585
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where the v lie in the space spanned by Xl, "", x,. (Note that in general these x
will include principal vectors which are not eigenvectors.) Equating coefficients
of e in the relation
(4.7) (A + 13B)(xl + v113 + ...)= (21 + P113 + "")(xl + v113 + "")
gives
(4.8) Bxl + A/)I 21/)1 -+- PlX1
Now both v and Avl lie in the space spanned by x2, x., and from (4.5),
586 G. H. GOLUB AND J. H. WILKINSON
yn, we obtain
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with
and now
[1, o] [o, 1] 2o
(4.15) yn (1 + oz) 1/2’ xn (1 + 02) 1/2’
$1
"-(1 + oz)"
Hence we may make sl arbitrarily small by taking e sufficiently large or
sufficiently small. It is clear that a small s induced in this way is a very artificial
phenomenon. In this example, when sl is small, D- 1AD 2 A 2. In practice,
the relevant values of s are those for D-lAD, where D has been chosen so that
D-1ADII2 is a minimum. Reducing this norm to a true minimum is not vital,
and in practice, the process of balancing described by Parlett and Reinsch in [12]
is usually adequate.
ILL-CONDITIONED EIGENSYSTEMS 587
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(4.18) B
Bad"
Further,
(4.19) S1 yH1x --(ypH)(Px1) (pyl)Ue,
and writing Pyl P l, we have
(4.20) p[B pf PAPn yAPn 21(yf Pn) 21pn,
while
(4.21) sa pel
Hence if we write pf (/51 alvn), where v is of order n l,
(5.2) xl slY1 + x
i=2
since ynx sl and y[xi 0 (i 2,..., n). Equation (5.2) may be expressed in
the form
(5.3) i /,x,
i=1
slY1/(1 + E o) /2,
where
(5.4) E
/1 1/(1 + o/2) 1/2, [i-- -o,/(1 + 02) 1/2, 11/311z 1.
Hence we have a unit vector/ so that
(5.5) IIX/llz Isxl/(1 4- F. ff)x/z < Isxl,
and when sl is small, the vectors x are "almost linearly dependent". (Note that
in general, the x (i 2,..., n) will include principal vectors which are not
eigenvectors.) Anticipating 7, we note that (5.5) implies that a,(X)< Isxl.
Conversely, if a set of the x are almost linearly dependent, then at least one of the
associated s is small and A has an ill-conditioned eigenvalue. Suppose, for example,
(5.6) E
p
i=1
x,x, u, where Ilul12 , p
i=1
/z 1.
Then if the vectors y are the normalized columns of (X- 1)n, we have
when we perform the Schmidt orthogonalization process on these xi, the orthogonal
basis is bound to be poorly-determined. In fact, information about the last of the
orthogonal vectors will be completely vitiated by the rounding errors which will
usually be inherent in the representation of the xi in the computer.
This casts doubt on the advisability of attempting to determine the x them-
selves and suggests that it might be better to determine directly an orthogonal
basis for the subspace corresponding to such vectors.
6. Orthogonal bases for invariant subspaces. The eigenvectors of,4 correspond-
ing to 2 are the solutions of the equation (A 2I)x 0. If A 2I is of nullity n
(rank n nl), then there will be n independent eigenvectors. These vectors
span a subspace P the nullspace of,4 M. Let ), xt2),
basis of this subspace P.
x x 1) be an orthogonal
Turning now to the solutions of the equation (,4 ,I)2x, we can clearly see that
they include any vector in P, since if(A 2I)x 0, then certainly (A I)2x O.
The nullity of (A i)2 may therefore be denoted by n + n2, where n 2 0. >
If the nullspace is denoted by P2, then P2 P1 and the basis x
be extended to an orthogonal basis of P2 by the addition of further orthogonal
t may
x
vectors 2), xt22, .(2)
A’n These additional vectors satisfy the relations
a contradiction.
Continuing in this way by considering the nullities of(A AI)3, (A i)4,
we obtain numbers ha, n4, such that n+l _-< ni and orthogonal bases of
subspaces Pi such that Pi+ Pi. The subspace Pi is of dimension mi n +
+ n. In general, the orthogonal vectors xl ) are such that (A 2i)-1..iY,ts) 0
but (A 21)xI )
Comparing these spaces with those spanned by the chains of vectors associated
with 2 in the J.c.f., we see that P is the space spanned by the principal vectors of
grade 1, Pz that spanned by principal vectors of grades 1 and 2, etc. Notice, though,
that the space spanned by X(12), (2) is not in general the same as that spanned
"2
by the principal vectors of grade 2 in the Jordan chains.
n is equal to the number of blocks associated with 2 in the J.c.f., and, in
general, n is the number of those blocks which are of dimension not less than s.
The derivation of these orthogonal bases is in some ways more satisfactory
than that of the Jordan chains themselves, and though the chains may be derived
from the orthogonal bases, there will in general be a loss of digital information
in this process.
590 G. H. GOLUB AND J. H. WILKINSON
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7. The singular values. In the previous section it was shown that in the
solution of the complete eigenvalue problem, we are concerned with the deter-
mination of the nullities or ranks of sequences of matrices. Rank determination is
a notoriously dangerous numerical problem, and in practice the only reliable way
of doing it is via the singular value decomposition (S.V.D). Accordingly we now
give a brief review of the S.V.D. and the properties of singular values.
For our purposes, the singular values of a complex m x n matrix A may be
defined to be the nonnegative square roots of the eigenvalues of the matrix AriA.
Clearly AriA is an n x n nonnegative definite Hermitian matrix, and its eigenvalues
may be denoted by a/2 (i 1, ...,
n); the ai are the singular values of A. Although
apparently a more sophisticated concept than the eigenvalues, the determination of
the singular values is more satisfactory from the computational point of view.
The ai are defined in terms of the eigenvalues ofa Hermitian matrix, and these are
always insensitive to small perturbations in elements of that matrix. We shall
assume that the a are ordered so that a a2 > => > O’n" The a2 may be defined
via the min-max properties of (xnAnAx)/xnx, i.e., of
From the last of these relations, the well-conditioned nature of the ar is well
exposed.
Although we have defined the a via AriA, they should not be determined in
this way. In practice, they are computed via the S.V.D., which is defined as follows.
Any m x n complex matrix A may be factorized in the form
(7.3) A UE V n,
where U and V are m x m and n x n unitary matrices, respectively, and E is an
m x n matrix with X, a and Ej 0 otherwise. Golub and Reinsch [4] have
described an extremely efficient and stable method for determining the S.V.D.
and hence the a. The computed U and V n are almost orthogonal to the working
accuracy, and the computed a correspond to those of some (A + E), where
E 12/II A 2 is a modest multiple ofthe machine precision. Since the a, are insensitive
to E, this is very satisfactory.
Clearly, from (7.3),
(7.4) AriA VZnZVn, AnA V VZnX,
so that the columns of V are orthogonal eigenvectors of AriA. Similarly
(7.5) AA n UEE nUn AA n U UZE n
and the columns of U are orthogonal eigenvectors of AA n.
ILL-CONDITIONED EIGENSYSTEMS 591
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Turning now to the case when A is n x n, we have, from the definitions of the
eigenvalues and of the singular values,
(7.6) H 2i det (A), I-I (a/z) det (AriA) Idet (A)l 2,
and hence
(7.7) I-112,1 I-I or,.
We have the fundamental result that 2. 0 iff a. 0 and both imply that A is
singular. The three properties are fully equivalent.
From this it is intuitively obvious that if A is "nearly" singular, 2. and a.
are "small" with appropriate determination of the terms "nearly" singular and
"small". As a measure of the proximity of A to singularity we shall take
IIE]I2/IIAII2 , where E is the matrix of minimum norm such that A + E is
singular. Since A + E is singular, there exists a y such that
(7.8) (A + E)y O.
Hence
IIAxll < IIAyll- I-Eyll < IIE[12 IIAII2
(7.9) a. min
Ilx[I Ilyll Ilyll
On the other hand, since min (llZxll/llxll) is attained for some unit vector, y (say),
(7.10) a.- IIAylI, hy a.z with Ilzll2 1.
Hence (A a,,zyn)y 0, and A a.zy n must be singular. But Ila.zynll
e min (llEllz/llZllz) <= a./llall.; hence a./llall=
Turning now to 2., we have
. a. and
not true of R, and hence we still cannot guarantee that R will have any patho-
logically small r,. Now the weak bound for 2, is attained only when B is extremely
pathological, and hence one might expect that failure of R to have a small diagonal
element would be rare. Unfortunately, this is far from true. Attempts were made to
construct an algorithm based on this factorization in the case where A is a sym-
metric tridiagonal matrix. For such matrices, a particularly satisfactory algorithm is
known for the determination of the 2’s. Nevertheless, it was found in practice that
when the QR factorization of A 2I was performed for each of the n computed 2
in turn, almost invariably some of the R were such that they had no small r,, and
all algorithms based on a search for a negligible ru failed disastrously.
"
The LL factorization of a positive definite matrix A is known to be extremely
stable, and it might be thought that when such an A was near to singularity, this
would be bound to reveal itself in the corresponding L. That this is not true is
illustrated by the matrices A L, LT, where L, is of the form illustrated by
1
-1 1
(8.1) L,
-1 -1 1
-1 -1 -1 1
It is easy to show that a,,(A,)= ,n(An)= O(4-n), and hence for quite modest
values of n, the matrix A, is almost singular. Yet there is no obvious indication of
this in the factor L, since all of its diagonal elements are unity.
Finally, we consider the factorization given by Gaussian elimination with
complete pivoting. This, too, would appear to be quite favorable, and yet it can
fail quite catastrophically. Indeed, if A, is of the form illustrated by
1 -1 -1 -1
-1 -1
(8.2) A4
1 -1
then it can be shown that a,(A,) 0(2-"), and hence A, is almost singular for
quite modest n. Yet the factorization given by Gaussian elimination with complete
pivoting is
(8.3) An I x An,
i.e., A, is itself the upper triangular factor, and its diagonal elements are all unity.
These examples illustrate the fact that the determination of singularity, much
less than rank, by means of simple factorizations is not a practical proposition.
On the other hand, the S.V.D. is extremely reliable, and since the computed at
correspond to A + E where IlEII2/llall2 is of the order of the machine precision,
it provides an excellent means of determining the numerical rank.
594 G. H. GOLUB AND J. H. WILKINSON
.
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For consistency with later stages, we write W1 V1, and the last n columns of
W clearly give an orthogonal basis for the principal vectors of grade 1, while the
matrix A 2 has orthogonal columns.
Proceeding to the nullspace of B E, we have
(9.3) BZv =- B2W [BA2I 0 [Bzl 0 ],
fll
we have
Since the nullity of B 2 is n+n 2, B 2 will have n2 zero singular values, and we
have
Writing
= ni m, the matrix A 3 has n m 2 orthogonal columns. The last
m2 columns of W2 give an orthogonal basis for vectors of grade 2 and grade 1.
The last nx of these columns are those of W1 having been unaltered by this second
step.
ILL-CONDITIONED EIGENSYSTEMS 595
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(9.11)
(9.12)
V+I
ns+lWs+x
IVs+x 1 I
[Us+ lXs+ 110l
+1
0]
Ws9 +1,
From the orthogonality of W tx), the first n nl columns orBt2) are orthogonal and
therefore independent. Relation (10.1) shows that the last nl columns of V tl)
give nx orthogonal eigenvectors (i.e., vectors of grade 1) of B t) corresponding to
2=0.
If n k, then we have dealt with all the eigenvalues. Otherwise B will
have k n zero eigenvalues and we can proceed to the consideration of vectors
of grade 2. Let z be an arbitrary nonnull vector partitioned conformally with B t2)
596 G. H. GOLUB AND J. H. WILKINSON
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we have
(10.5)
- Bt2)z
(B(2))22
LU21
r1(2)7
/’-’/B(2)"
LU21 _1
_.1
(10.9) (2)
IV(2) 01
Bx 0 0
(10.10) B(3)= ((2))H3(2) (2) B’ 0
I:/(3)
u31 u32
n--m2 n2
It is obvious that n 2 < n otherwise B (3) and hence B(1) would have been of nullity
greater than nl.
Again if m 2 ---k, the process is complete. Otherwise has some zero B
eigenvalues, and we proceed via its S..D., this next stage being typical. If
(10.11) B(3)= U(3).f13)(V(3)) It,
then
(10.13) (3)
IVy3) O] I
ILL-CONDITIONED EIGENSYSTEMS 597
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we are led to
"() 0 0 0
’() 0 0 0
(10.14) B()= ((3))HB(3)(3) /(4) (4) 0 0
/.31 3..,,32
n--m3 n3 n2
where n 3 is the nullity of B]3). By an argument similar to that used above, the
nonnull columns of B (4) and of leading principal submatrices of orders n m l,
n- m2 are linearly independent. The process clearly terminates when ms k,
at which stage B]S 1) is no longer singular. Since
(10.16) B (4)--
Ind]Ol}n-m3
}m C 3
(10.19)
A discussion of vectors of grade 3 will be fully illustrative. Let us take any vector x
598 G. H. GOLUB AND J. H. WILKINSON
Exlxlx]. If Xa 4: 0, we have
(10.21) Cx B xa + x2,
-
But since we know the columns of B3 are independent, z 0, and since also the
columns of -,43 are independent, C2x 4: O. On the other hand, C3x 0 for any x.
The last na columns of the identity matrix therefore give na orthogonal vectors of
grade 1, the next n2 columns of it give vectors of grade 2 and the next n 3 columns
give vectors of grade 3.
Interpreting this result in terms of B for the general case, we see that the
last n columns of V give orthogonal vectors of grade 1, the next n2 give orthogonal
vectors of grade 2, etc.
When the process terminates, BS 1) is nonsingular and its eigenvalues are
the remaining eigenvalues of B, i.e. BS 1) + 2I gives the remaining eigenvalues of
A. We can now turn to the next eigenvalue of A and repeat this process starting
from BS+ 1) + 2I. In this way, a canonical form is ultimately attained, which may
be illustrated in the case when A has only three distinct eigenvalues 1, 2, 3 by
’2 and 1 since, in general, the latter will not be orthogonal to those of/3" We have
not yet established that n2), nt22), nt32) gives the number of vectors of grades 1, 2, 3
associated with 22, and that n1) and nt21) the vectors of grades 1, 2 associated
with 21, and this we now do.
We cannot proceed further with the reduction without departing from unitary
similarities. However, if we now admit general similarities, the submatrices
denoted by the Xi may be annihilated. To annihilate X4. 2, for example, we
premultiply by Z-2 and postmultiply by Z4.2, where Z4.2 is equal to the identity
matrix with a block X42/(21 22) in the same position as is occupied by X4.2.
The Xi are eliminated in this way in the order 232 231 24.2, X4.1,252 251
X65, X64.,
is that we have
It is obvious that the Y
are unaffected by this. The final result
221
(10.24) C M- AM r,3221
r3 Y54 21
where M is no longer unitary (though its last n]3)+ nt23) columns are still
orthogonal). From the properties of the Y+ 1, described above, it is now evident
that the n)) have the significance described above and indeed that all the columns
of M give independent (but not orthogonal) vectors of the relevant grades corre-
sponding to 21,22, 23. Notice that we have now proved that the canonical form
(10.23) which is achieved purely by unitary transformations gives a full specification
of the J.c.f. There is no need actually to proceed to the form (10.24) in order to
find the J.c.f. However, from the form C and the rank properties of the Y+ 1,, we
may proceed to a demonstration of the J.c.f. itself. It is easy to show that by further
similarities (10.24) may be reduced to
2I
K2
221
(10.25) K43 22I
221
600 G. H. GOLUB AND J. H. WILKINSON
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(11.4) B UE Vn,
0"23;2 P2
0"3Y3 P3
(11.7) 0"4Y4 P4
Oy5 0
Oy 6 0
Oy 7 -’0_
Components Ys, Y6, Y7 are therefore arbitrary and in our algorithm are taken to
be zero, since they merely result in including multiples of u, u2, u3 in the vector e
derived from y.
We have still to discuss how we avoid duplicating the vectors we have
previously produced. Suppose at the stage when we are determining the vectors
vl and/3 2 we have computed a Z (which might be called Z) such that
-X X X-
X X X
X X X
(11.8) [uHul UHu2 UHu3]Z1 X X X [pt)pt2)pt3)].
X 0 0
X 0 0
_X 00.
Then v, and/32 are obtained by solving Zy p, where p takes in turn each of the
vectors pt2) and pt3), giving independent solutions. Now when we have to solve
the set
(11.9) Xy ([Uux UUu21Uu31U%x U%2]Z),
602 G. H. GOLUB AND J. H. WILKINSON
I Z1
i][Wz],
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(11.13) R
If the S.V.D. of R2+ 1) is U (’+ 1)X;(+ 1)(V(’+ 1))n, where the number of zero elements
in Z *+ 1) is denoted by n+ 1, then
the deflation technique. At each stage, the matrix on which the S.V.D. is performed
has been determined by a unitary similarity on (A 2I), and it is reasonable to
use some tolerance IIAII2 throughout, when e is "small" but appreciably larger
than the machine precision.
In the powering algorithm, the rth matrix is of degree r in the elements of A,
and the decision is much less satisfactory. A modification of the procedure has
been developed which ameliorates this difficulty, but matrix powering would seem
to have nothing to recommend it in comparison with the deflation algorithm.
The Golub-Wilkinson algorithm is far superior from the point of view of
economy of computation; while the first S.V.D. is done on A 2I, the others are
u
all performed on a submatrix of a set of n vectors. If the vectors are normalized
at each stage, a negligible singular value would be one which is small compared
with unity. If in the matrix E obtained from B A 2I itself the smallest singular
value to be regarded as nonzero is quite close to the tolerance, then in determining
all subsequent solutions of equations of the form Ey p, the element y,_,, is
obtained by dividing by this almost negligible a,_,,. The vectors obtained with this
process are not orthogonal, as they are with the other two and there does appear
to be a danger that they may be almost linearly dependent with a consequent
loss of digital information.
None of the three processes gives principal vectors satisfying the chain
reaction typical of the columns of the X producing the J.c.f. Modified vectors
satisfying the chain reaction can be determined from the computed vectors, but
the volume of work is substantial and care is needed to avoid losing digital
information. Some such loss is inevitably involved in going from the orthogonal
sets given by the powering and deflation algorithms, since the vectors in the chains
may be arbitrarily near to linear dependence. Indeed, one might well ask whether
one should move from the orthogonal sets to sets satisfying the chain relations.
The answer must depend on what the vectors are needed for, and here numerical
analysts would welcome discussion with applied mathematicians, since this is
clearly a subjective matter. Further experimentation is necessary before the
algorithm can be fully assessed.
13. Poorly-defined J.c.f. As mentioned previously, there is a natural tendency
to construct "difficult" examples for testing purposes by taking a J.c.f. and sub-
jecting it to some simple similarity transformation. Such examples severely
underestimate the difficulties associated with ill.-conditioned matrices. The point
is well illustrated by considering the Frank matrices F, defined typically by
-5 4 3 2 1-
4 4 3 2 1
(13.1) F5 3 3 2 1
2 2 1
Even for quite modest values of n, some of the eigenvalues and eigenvectors are
very ill-conditioned, and yet one has a simple method of determining them by
ILL-CONDITIONED EIGENSYSTEMS 605
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This result is quite general and enables us to determine the eigenvalues of Fs,
for example, from those of the quasi-symmetric tridiagonal matrix
-0 1
4 0 1
(13.3) T5 3 0 1
2 0 1
1 0-
The determination of these latter eigenvalues is a well-conditioned problem for
all values of n. We are able to remove the ill-condition in this way because the
transformation can be performed exactly, i.e., without rounding error. The
eigenvalues of F, are very sensitive to perturbation in elements in the top right-hand
corner, and by transforming to T, and then working explicitly with a tridiagonal
matrix one ensures that no rounding errors are effectively made in these elements!
.
From this transformation it is easy to show that eigenvalues of F, are such that
2 1/2,_+ It is the smaller eigenvalues which are ill-conditioned.
To illustrate the nature of the ill-conditioning, we concentrate for the moment
on F 2 and discuss the problem from the point of view of computation on KDF9
which has a 39-digit binary mantissa, i.e., rather less than 12 decimal digits of
accuracy.
By row transformations, we see that det (F,)= 1, and if ft, is the matrix
resulting from a perturbation e in position (1, n), we have det (/V,) 1 + (n 1)!e.
Since the determinant is the product of the eigenvalues, it is evident that changes of
+ 1/(n 1)! in this element alter the product of the eigenvalues from the true value,
1, to 0 and 2, respectively. When n 100, for example, this represents a change of
approximately 10 -158. To obtain the eigenvalues correct to 10 decimals even
with an extremely stable general purpose algorithm would require computation
606 G. H. GOLUB AND J. H. WILKINSON
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with a mantissa of about 170 decimal digits. Yet the eigenvalues may be determined
via Tloo working to ten decimals only.
For n 12, the situation is not yet too serious with 12-digit decimal com-
putation, since 11! 4 107. One can expect to obtain some correct digits even
in the most ill-conditioned eigenvalues. The quantities si for the four smallest
eigenvalues are
0.04
ll!e
0.03 //, y
0.02
0.01
0.00
0.90.iO O.il 0.i2 0.i3
O.ONO.06
0.03 0.04 0.07 0.08, 0.14 19..15
-0.01
-0.02
-0.03
-0.04
-0.05 =det (F-M)
-0.06
-0.07
-0.08
-0.09
-0.10
-0.11
-0.12
-0.13
FIG.
If perturbations el and 2 are made in F12(1, 12) and F12(2, 12), respectively,
then the characteristic equation becomes
set u x, u2, Us and the orthonormal set v l,/)2, /)s" We may write
(13.8) ui il/)a + + is/)s + ri, 1, ..., s,
and the r might reasonably be called the residual vectors. If the two bases spanned
the same subspace, then r 0. Therefore max IIr may be regarded as a measure
of the errors in the u relative to the v. In fact, Ilrall is the sine of the angle between
u and the space spanned by the v.
14. Calculation of orthogonal bases of invariant subspaces. In classical
similarity theory, unitary similarities play quite an important role, since when
Xn X -,
(14.1) B X-XAX XHAX,
and hence matrices which are unitarily similar are also conjunctive. The fundamental
result with respect to unitary similarities is that for any complex matrix A, there
exists a unitary matrix X such that
(14.2) XnAX T,
where Tis upper triangular with the eigenvalues of A on its diagonal. This is known
as the Schur canonical form. The ordering of the 2i on the diagonal may be chosen
arbitrarily.
Unitary transformations are of great significance for numerical analysts
because a wide range of algorithms based on them are numerically stable. When A
is real, it may in general have some complex eigenvalues, though these of course
occur in conjugated pairs. It is convenient to remain in the real field whenever
possible, and there is a single modification of Schur’s result which states that when
A is real, there is an orthogonal X (i.e., a real unitary X) such that
(14.3) XTAX T,
where T is now almost triangular, except that corresponding to each complex
conjugate pair of eigenvalues T has a 2 x 2 block on the diagonal having as its
two eigenvalues this complex pair. This is usually known as the Wintner-
Murnaghan canonical form [29].
It is precisely this form which is produced, by the double Francis QR algorithm,
perhaps the most widely used general-purpose algorithm for finding the eigen-
system of a nonnormal real matrix. This algorithm works directly with a real-upper
Hessenberg matrix but a general real matrix may be reduced to this form by a
(real) orthogonal similarity. (For detailed discussions, see [28].) The combined
reduction from general form to real almost triangular T is extremely stable, and
it has been proved [25] that the computed matrix is such that
the si of the matrix T give information that really is relevant. The left-hand and
right-hand eigenvectors of T may be readily computed; the right-hand eigenvectors
are required in any case, and the additional work needed to compute the left-hand
eigenvectors of T is a negligible percentage of that for the complete reduction.
Ignoring the 2 x 2 blocks for the moment, we determine the left-hand and right-
hand vectors for the eigenvalue in position r on the diagonal by a triangular back
substitution with matrices of order n r and r, respectively. The vectors are of
the forms
(14.5) (0,..., 0, y,, y,+x,..., Y,) and (x l, X2,’’’,
and if these are normalized vectors, the corresponding s x,y,. The complication
caused by the 2 x 2 blocks is not substantial and is discussed in detail in [28,
pp. 372, 374]. The computed si are invaluable in any case, since they give the
sensitivities of the eigenvalues of T, i.e., of (A + E).
Now let us consider the eigenvalues in the first s positions along the diagonal
of T. We may write
and hence
where G
orthogonal basis of the subspace corresponding to the selected s eigenvalues.
The transformation from Tto was
first described by Ruhe [14]. It is achieved
of
by a sequence orthogonal similarities, each of which is a plane rotation and
is based on the following observation. If
(14.10) T=
(14.11) RT[00 q
r-p
R=
0 0
or
(14.12) [ COS0
-sin0 cos sin00]I0 q
0 r-p ] [r-p q][
0 0
COS0
sinOo].
-sin0 cos
For this to be true, (r p) cos 0 q sin 0 0, giving
though since IlEll/s is merely a first order perturbation, a smaller IIEl[ than this
may well be adequate.
However, we are not merely concerned with whether the computed 2i and 2
could belong to a multiple root. If this is our criterion, then the groups will be
much smaller than is advisable. A reasonably satisfactory rule is that if our aim is
to have t’ decimal digits e’orrect in the subspace on a t-digit decimal computer,
then 2 should be coupled with 2i when
(14.15) 12i =
21 max (Isl, IsjI) 10"’-’)llall,
where IIAIIF rather than IIAII2 is used since a practical criterion is required. This
criterion has been applied on KDF9 and found to be quite sound. We may illustrate
this in action by means of a simple example. Consider the matrix
1 1 0
(14.16) 0 1
s 0
The eigenvalues are 1 + s 1/3, + 09s 1/3, 1 + 092s 1/3, where 09 is a complex cube
root of unity. The separation is 1/3x/, and hence when s is of the order of machine
precision, the eigenvalues will not appear unduly close. But the left-hand eigenvector
corresponding to 1/3 is [2/3, sl/3, 1], and the right-hand eigenvector is [1, 1/3, s2/3],
and hence the corresponding sl 32/3/(1 + 2/3 + e4/3) with similar results for
the other eigenvalues. Hence (21 22)sl 3x/s, and this product fully exposes
the danger. These two eigenvalues would be grouped together even if one were
making the tolerance very lax.
One difficulty encountered in experimentation with algorithms for finding
invariant subspaces is that of obtaining a correct orthogonal basis against which
to test computed subspaces except in the case of rather artificially constructed
matrices. In practice, we have found it useful to work with A itself and with A
such that aj a,,+ 1-i,n/ l-j, i.e., is the reflection of A in its center point.
Eigenvectors, etc., of X are merely those of A with components in the reverse order.
If A and X are solved by the same algorithm, then one can compare orthogonal
bases obtained with the two matrices. At least one computed subspace has an
error which is of the order of magnitude of the angle between the two computed
subspaces. Where it has been possible to determine a correct basis by independent
means, the error in each of the computed subspaces has proved to be of the same
order of magnitude as the angle between them. One might expect this to be true
generally unless there is some special reason for errors to be correlated in some way.
For matrices with well-defined J.c.f.’s, the orthogonal bases determined by
an algorithm based on the above have been correct almost to working accuracy.
Even if one takes t’ almost equal to t, only the eigenvalues associated with multiple
roots have been grouped together.
The results obtained with the Frank matrices are interesting. For n 16,
the 9 smallest computed eigenvalues and their true values are given in Table 1.
Six of the computed values are complex and with imaginary parts which are quite
comparable with the real parts. Only with 21 o do we begin to have any significant
ILL-CONDITIONED EIGENSYSTEMS 613
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accuracy, and ’9 has four correct figures. The largest eigenvalues were given very
accurately.
TABLE
2 3.05 x 10 -2
4 1.73 10 -2
6 6.23 10 -4
7 1.74 10 -6
8 1.73 x 10 -8
9 2.67 10-1
We may look at these results from an alternative point of view. If the matrix
Ft6 is regarded as having relative errors of order 10 -t2 in its elements, then the
invariant subspace corresponding to its two smallest elements is scarcely deter-
mined at all, while that corresponding to its smallest 7 eigenvalues for example
is determined to about six decimals.
15. Inverse iteration and ill-conditioned eigensystems. Inverse iteration is one
of the main tools used in practice for the calculation of eigenvectors from computed
eigenvalues. The motivation for inverse iteration, due to Wielandt [23], springs
from the observation that if A is a matrix with a complete set of eigenvectors x,
614 G. H. GOLUB AND J. H. WILKINSON
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(15.1) y OiX
i=1
and hence
If 12j kl << 12i kl (i :/: j), the components of xj will be very much larger than
the coefficients of the remaining xi, unless the vector y happens to be very deficient
in x. If, in particular, k is a very accurate approximation to 2, the right-hand side
of (15.2) may be written in the form
(15.3)
2 k ex + i* (2- k)x/(ei- k
x
and the normalized form of this vector will be to very high accuracy. However,
for nonnormal matrices, a computed 2 may not be particularly near to any eigen-
value, and it appears that one can no longer expect such a spectacular performance
in one iteration.
Varah was the first to point out that this is not so. The simplest way to see
this is to forget about the expansion of y and concentrate directly on the solution
of (A 2I)z y, where IlYlI2 1. We may write
(15.4) (A 2I)z/II z 2 y/II z 2, W Z/II Z 2, Y/II Z 2 r
giving
(15.5) (Z Z)w r, Ilwl12 1, Ilrll 1/llzl12 (say).
The first of equations (15.5) may be expressed in the form
(15.6) (A rwn)w 2w
and hence 2 and w are an exact eigenvalue of eigenvector of the matrix A rw n.
Since Ilrwll2 Ilrll 2 ,
it is evident that if Ilzll 2 is "large", 2 and w are satisfactory
since they are exact for a neighboring matrix.
Now if we start with a value of 2 which is an exact eigenvalue of A + E, then
however poor 2 may otherwise be,
performing more than one step of inverse iteration, and a satisfactory analysis of
the phenomenon was subsequently given by Wilkinson [27]. It is instructive to
analyze this phenomenon in terms of the S.V.D. decomposition. We showed in
5 that if 2i is an ill-conditioned eigenvalue, the associated si is small and the
matrix X of eigenvectors has a small singular value an < Isl, If the S.V.D. of X
is
(15.8) X UEV n XV UE
then
u. Xv
1
(15.9) ----[OIX
O"
-’1- O2X 2 -I- "t- nXn], where i vi.,
O"
and hence the unit vector u, expanded in terms of the xi has very large coefficients.
If we take an arbitrary vector y, it can be expressed in the form
(15.10) y "--]lUl + "’’--
where the fli are distributed in a natural way. When it is transformed to its expansion
in terms of the x, we have
(15.11) Y + x2 + + + x,,
L a, L a, L a,
and in general all the coefficients of the xg will be very large but will be in ratios
which are independent of the fl, provided ft, is not small. From (15.11),
z=(A-21)-ly= lfl+
ka, 21 2
(15.12)
+L a, 2,-2’
and z will in general be a large vector for two reasons: first, because a, is small and
second, because usually one of the (2 2) will be moderately small (though not
usually pathologically so). Now when z is normalized prior to doing the second
iteration, the coefficients of the x in this normalized z will no longer be special
in the way that they were in the first "arbitrary" y.
In fact, the normalized vector will be essentially
(15.13)
and the coefficients ofthe x will be of order unity. In the first vector these coefficients
were all large but canceled out to give a vector of normal size. Consequently, in
the second step of inverse iteration, the growth in size will come only from the
comparative smallness of a 2i 2 and will not be reinforced by the smallness of
This will be true of all subsequent steps unless at the rth step all the quantities
((2- 2)/(2j- 2)) are almost equal, when the normalized value will have large
616 G. H. GOLUB AND J. H. WILKINSON
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components of each of the x in the same ratios as in the first vector. In this case,
every rth iteration will give a large growth and consequently a satisfactory vector.
This situation will usually occur when A has an elementary divisor of degree r.
Yarah has effectively used this behavior of the iterates to give information on
the structure of the J.c.f. of A [21].
The analysis may be carried out in an alternative way which is also instructive.
We observe first that if 2 is an exact eigenvalue of A, then A 2I is singular,
and if
(15.14) (A- 2I)= UZV n,
then a, 0. Consequently,
(15.15) (a 2iI)v O, un,(A Aft) O,
and v. and u, are normalized right-hand and left-hand eigenvectors of A, with
blff l3n Si
Now suppose 2 is an exact eigenvalue of A + E; then tr,(A 2I) <_ Ilgl12.
If we now write
(15.16) A 2iI UEV n and (A 2iI)v=
then tr __< IIEII. An arbitrary unit vector y may now be expanded in the form
(15.17) y u, with 11ll2 1
and
(15.18) z (A 21)- ly
trj
The coefficient of v, is ,/a,, and
(15.19) Ioe./.l >= o./llEII.
Unless y is accidentally deficient in u,, the full growth takes place in the first
iteration. The normalized z is essentially of the form
n-1
(15.20) v, + Yivi,
where the 7 are small. To see the effect of the second iteration, one requires an
expansion in terms of the u rather than the vi, and we now show that in this
expansion the coefficient of u, is small. Indeed, since v,, is roughly s from the un,
previous argument, and all the y are small, this is immediately obvious. The
normalized z is therefore an unfortunate vehicle for inverse iteration since it is
deficient in u,.
16. Improvement of an invariant subspace. Suppose A has been reduced to
upper triangular form T by a unitary similarity X with a group of associated
in the s leading diagonal positions of T. We then have, for the computed X and T,
(16.1) AX XT E.
The error analysis guarantees that E will be almost negligible to working accuracy.
ILL-CONDITIONED EIGENSYSTEMS 6|7
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(16.3)
T12 +
T22 LF2, F22
where T contains the grouped eigenvalues. The relevant invariant subspace of T
is spanned by the first s columns of I, and hence if we write
0
+ [Tll + Gll],
T22 F2 F22
[I yr] gives the improved subspace. From (16.4), neglecting second order
quantities,
(16.5) TI + F + T2Y= TI / Gll, T22Y + F21- YTll,
and Y is the solution of
(16.6) [T22Y- YTI] -F2.
The matrix Y may be determined column by column via the relations
(16.7) T22Yl tllYl -fl, (T22 tllI)yl -f,
(16.8) TEEY2 tEy tEEY2 rE, (TEE tE2I)Y2 --rE + tEYl.
In general, the rth column of Y is the solution of a triangular system of
equations with matrix (TEE tr,I).
From Y one can determine G via (16.5).
If one includes the second order terms, then (16.6) becomes
(16.9) [TE2Y- YT]- -F21 + [-FEEY + Y(TtEY + FI + FEY)],
and after solving (16.6), an improved right-hand side is that in (16.9) in which
the computed Y is used. In this way, Y may be repeatedly improved by iteration.
However, there is little point in this. The matrix F is not known exactly.
There are errors made in computing E in the first place and further errors in
computing X-1E, and here no purpose is served in computing Y accurately.
In (16.3)we have purposely refrained from writing
(16.10) F2, 22
whereT T +FI, T2 T2 +F2, T22 T22 +F22,
although this would have simplified the expressions. This is because it is necessary
to keep the F matrix separate from the T matrix on the computer. The information
618 G. H. GOLUB AND J. H. WILKINSON
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in F would promptly be lost if the addition were carried out. However, there are
(16.11)
The improved subspace X1 is now
orthogonal, but this is of no
(T22Y- Y, T)
.
obviously slight advantages in replacing (16.6) by
-F2,.
X + X2Y. It is no longer quite
importance. If one wishes to continue with the
refinement of the subspace, one should return to the computation of the residual
via the relation
(16.12)
where
(16.13) ’= I T + GI
0 T’21.
T22
The new/ will not be smaller than E in general, but the next correction to the
subspace will be. If [)11 X2], then
(16.14) )- 1A ()- x iff,
and one can still use the approximation ()-1 X v. When computing the new
correction Y, the equations corresponding to (16.6) will be
(16.15) [T2- 11]--- -21,
and T TI, + S, is no longer upper triangular. However, we may use T1, in
place of 11 since YSll will be of second order.
The process of iterative refinement is wholly analogous to that used with
linear equations (see, e.g., [25, Chap. 4]). In general, we can continue until we have
a basis which is correct to working accuracy. Indeed, at the time when the process
terminates, the new X will be obtained in terms of the old X and the original
X2 by the relation
(16.16) X (new) Xa (old) + X 2 Y,
where X 2 Y is small. The true sum on the right-hand side will be accurate to more
than the working precision.
The final X will not have orthogonal columns, but they will be almost
orthogonal. If true orthogonality is required, no appreciable loss of accuracy
will occur when the Schmidt orthogonalization process is performed.
Acknowledgments. The authors wish to thank Mrs. G. Peters of the National
Physical Laboratory and Dr. Peter Businger of the Bell Telephone Laboratories
for the computational work on invariant subspaces, and Dr. B. Heap and
Mr. Clive Hall also of the National Physical Laboratory for the production of
Fig. on the computer KDF9.
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ILL-CONDITIONED EIGENSYSTEMS 619
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