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A Power Method for Computing Square Roots of Complex Matrices

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Complex Matrices

Mohammed A. Hasan

Fort Collins, Colorado 80523

In this paper higher order convergent methods for computing square roots of

nonsingular complex matrices are derived. These methods are globally convergent

and are based on eigenvalue shifting and powering. Specifically, it is shown for

each positive integer r G 2, a convergent method of order r can be developed.

These algorithms can be used to compute square roots of general nonsingular

complex matrices such as computing square roots of matrices with negative

eigenvalues. Q 1997 Academic Press

1. INTRODUCTION

matrix B g C m= m such that B 2 s A, where C is the field of complex

numbers. If all eigenvalues of an m = m matrix A are distinct, then the

matrix equation X 2 s A generally has exactly 2 m solutions. This follows

from the fact that A is diagonalizable, i.e., there exists a similarity matrix

U such that A s UDUy1 , where D s diagŽ l1 , . . . , l m . and thus B s

Uy1 'D U, where 'D s diagŽŽy1. i1 l1 , . . . , Žy1. i m l m ., and i k s 0 or 1

' '

for k s 1, 2, . . . , m. However, if A has multiple eigenvalues, the number of

solutions will be different from 2 m as shown next. Let m s 2, then without

loss of generality, we can assume that A s l 02 or A s l 12 .

2 2

0 l 0 l

cos Ž u . sin Ž u .

Assume that A s l I, then the family l

2

½ sin Ž u . ycos Ž u . 5 0 F u - 2p forms an

l 2

infinite set of square roots of A. On the other hand, if A s 1

, then

0 l2

"l

l

provided that l / 0.

Unlike the square roots of complex numbers, square roots of complex

393

0022-247Xr97 $25.00

Copyright Q 1997 by Academic Press

All rights of reproduction in any form reserved.

394 MOHAMMED A. HASAN

matrices may not exist. For example, when l s 0 in the last matrix no

square root exists. From this observation, it is obvious that for 2 = 2

matrices, the equation B 2 s A / 0 has a solution if and only if A has a

nonzero eigenvalue.

To understand the structure of solutions of the equation B 2 s A for

b b

m s 2, let B s b11 b12 , and A s aa1121 aa1222 such that B 2 s A. Then we

21 22

are equivalent to F s 0, where

¡b q b12 b 21 y a11

11 b 11

~

F Ž b11 , b12 , b 21 , b 22 . s

b11 b12 q b12 b 22 y a12

Ž 1.

b 21 b11 q b 22 b 21 y a21

¢ b 21 b12 q b 22 b 22 y a22 .

2 b11 b 21 b12 0

F Ž b11 , b12 , b 21 , b 22 . b12 b11 q b 22 0 b12

Js s .

Ž b11 , b12 , b 21 , b 22 . b 21 0 b11 q b 22 b 21

0 b 21 b12 2 b 22

4 Trace 2 Ž B .< B <. Here the notation < J < denotes the determinant of J, and

TraceŽ B . s Ý m < <

is1 bii . Since A is nonsingular, it follows that B / 0 and

therefore J is nonsingular if and only if b11 q b 22 / 0. Now assume that A

is nonsingular and let

0 0

b11 b12

B0 s 0 0

b 21 b 22

q b 22

0

/ 0. Since J is

0 0 0 0 .

nonsingular at Ž b11 , b12 , b 21 , b 22 , it follows from the implicit function

theorem that B0 is the only solution. From the eigendecomposition of A

indicated before, one can see that there are at least four square roots of

A. The implicit function theorem guarantees exactly four square roots with

nonzero traces. These square roots of A which have nonzero traces are

referred to as functions of A w1x. Essentially, B is a function of A if B can

be expressed as a polynomial in A.

Now if b11 q b 22 s 0, then it follows from Ž1. that a11 q a22 s l2 ,

a12 s a21 s 0, i.e., A is diagonal of the form l2 I. In this case the equation

SQUARE ROOTS OF COMPLEX MATRICES 395

"'l2 y rs r

½ s .'l y rs

2 5 r, s g C.

cos Ž u . sin Ž u .

½l sin Ž u . ycos Ž u . 5 0 F u - 2p which is described before.

The following result provides conditions on the eigenstructure of A

which ensure the existence of square roots which are functions of A.

coprime, that is, each eigen¨ alue appears in only one Jordan block. Then A

has precisely 2 p square roots, each of which is a function of A.

have been reported in the literature. In w2x, the Newton-Raphson method

was used for computing the principal square root of a complex matrix. An

accelerated algorithm for computing the positive definite square root of a

positive definite matrix was presented in w3x. A matrix continued fraction

method was presented in w4x. The matrix sign algorithm was developed in

w5x. A Schur method for computing square roots was developed in w6x. Fast

stable methods for computing square roots were also presented in w7, 8x.

It is noted in almost all of the above methods either a linear or

quadratic convergence can be obtained. In this paper, higher order conver-

gent methods of order r G 2 will be derived. The essence of these methods

is a process whereby a sequence of matrices which in the limit converges to

a square root of A is generated. This process involves creating gaps

between the magnitudes of eigenvalues of different square roots of A so

that for sufficiently high powers the eigenvalues will become decoupled.

This is similar in principle to well-known methods such as those of

Graeffe, Bernoulli, and the qd algorithm for solving polynomial equations

in that these methods are based on eigenvalue powering. For a survey of

some of these methods the reader is referred to w9, 10x and the references

therein.

Let S be a set of commutative and thus simultaneously diagonalizable

matrices. In the sequel, the notation l i Ž X . denotes the ith eigenvalue of

the square matrix X g S relative to a fixed similarity matrix which

diagonalizes the set S . The notation s Ž A. denotes the set of eigenvalues

of A. The symbol R is used to denote the set of real numbers and 5 A 5

denotes any vector norm of the matrix A.

396 MOHAMMED A. HASAN

square root of a square matrix.

THEOREM 2. Let A g C m= m be a nonsingular matrix. Let r be a positi¨ e

integer such that r G 2 and define A k and Bk recursi¨ ely as follow. Let

r

r

A kq 1 s Ý ž /Ary2

k

l 2l l

Bk A , Ž 2.

ls0

2l

and

r

r

Bkq 1 s Ý ž Ary2/ly1 2 lq1 l

Bk A . Ž 3.

ls0

2l q 1 k

Then there exists an a g C such that Bk is nonsingular for all sufficiently large

k. Set X k s Bky1A k , then the initial guess A 0 s aIm and B0 s Im the sequence

X k con¨ erges to a square root W of A. Moreo¨ er,

r

X kq 1 " W s By1

kq1 Bk Ž X k " W . ,

r

Ž 4.

i.e., if the sequence X k con¨ erges, it is rth order con¨ ergent to W. Addition-

ally,

lim k ª` Ay1

kq1 A k s I

r

and y1

lim k ª` Bkq1 Bkr s I.

induction that

k

A k " BkW s Ž aI " W . r . Ž 5.

Clearly Ž5. holds for k s 0. Assume that Ž5. holds for the positive integer

k. Then

r

kq 1 r r

Ž aI " W . r s Ž A k " BkW . s Ý ž / A ry2

k

l 2l l

Bk A

ls0

2l

r

r

" Ýž A ry2

/ ly1 2 lq1 l

Bk A W

ls0

2l q 1 k

s A kq 1 " Bkq1W ,

where the last equality follows from Ž2. and Ž3.. Hence Ž5. is true for the

integer k q 1. This shows that Ž5. is true for each nonnegative integer k.

SQUARE ROOTS OF COMPLEX MATRICES 397

< l j Ž aI q W .< ) < l j Ž aI y W .<, for j s 1, . . . , m. From Ž5. we have Ž aI q

k k

W . r s A k q BkW and Ž aI y W . r s A k y BkW. Solving the last two

equations for A k and Bk yields

1 k k

Ak s Ž aI q W . r q Ž aI y W . r 4 , Ž 6.

2

and

1 k k

Bk s Ž aI q W . r y Ž aI y W . r 4 Wy1 . Ž 7.

2

Note that the order of matrix multiplication is immaterial in this case since

the choice X 0 s aI implies that the elements of the sequence X k 4`ks1

commute with each other. It should also be noted that for sufficiently large

k both A k and Bk are invertible since < l j Ž aI q W .< ) < l j Ž aI y W .<, j s

1, . . . , m. Thus multiplying both sides of Ž5. by By1

k yields

y1

k y1 k

By1 y1

k A k q W s Bk Ž aI q W .

r

s 2W I y Ž aI q W . ½ Ž aI y W . r 4

y1 rk y1 2rk

s 2W I q Ž aI q W .

½ Ž aI y W . 4 q Ž aI q W . Ž aI y W . 4 q??? . 5

Since < l i Ž aI q W .< ) < l i Ž aI q W .<, for i s 1, . . . , m, it follows from the

last equation that

k

lim By1 y1

k A k q W s lim Bk Ž aI q W .

r

s 2W.

kª` kª`

s W.

To prove Ž4. we have from the relation A kq 1 " Bkq1W s Ž A k " BkW . r

that

r

By1 y1 y1

kq 1 A kq1 " W s Bkq1 Bk Ž Bk A k " W . ,

r

or equivalently

r

X kq 1 " W s By1

kq1 Bk Ž X k " W . .

r

kq 1 kq 1 y1 k k r

By1

kq 1 Bk s Ž aI q W .

r r

qŽ aI y W . r 4 Ž aI q W . r q Ž aI y W . r 4

y1

y1 r kq 1

s ½ ž I y Ž Ž aI q W . Ž aI y W . . 5

r

y1 rk

½ ž I y Ž Ž aI q W . Ž aI y W . . / ªI

as k ª `. Q.E.D.

398 MOHAMMED A. HASAN

X k s Bky1A k as shown next.

THEOREM 3. Let A be a nonsingular matrix and let r be a positi¨ e integer

such that r G 2. Let

r

r

Ck s Ý ž /X kry2 lAl , Ž 8.

ls0

2l

r

r

Dk s Ý ž X kry2 ly1Al ,

/ Ž 9.

ls0

2l q 1

k C k . Then there exists an initial matrix X 0 s aI g C

m= m

,

`

a g C for which the sequence X k 4ks1 con¨ erges to a square root W of A.

Moreo¨ er,

r

X kq 1 " W s Dy1

k Ž Xk " W . , Ž 10 .

i.e., if the sequence X k con¨ erges it is rth order con¨ ergent to W.

Proof. Theorem 3 follows directly from Theorem 2 by setting X k s

Bky1A k . Q.E.D.

In Theorems 2 and 3 and if r s 2, quadratically convergent algorithms

are obtained as follows.

COROLLARY 4. Let A be an m = m nonsingular complex matrix and

define the following sequence A kq 1 s A2k q Bk2 A, and Bkq1 s 2 A k Bk with

A 0 s aI and B0 s I. Then for some a g C , the sequence Bky1A k con¨ erges

quadratically to 'A . Moreo¨ er, if we set X k s By1 k A k , then the iteration

X kq 1 s X k y 12 Xy1

k

Ž X k2 y A. with X 0 s aI con¨ erges quadratically to some

'A and X kq 1 y 'A s 12 Xy1 k

Ž X k y 'A . 2 .

Remark. The iteration X kq 1 s X k y 12 Xy1 k

Ž X k2 y A. of the above

corollary is exactly the Newton iteration for solving X 2 y A s 0. Several

variants of Newton’s method and their implementations were presented in

w2x, where the matrix A is assumed diagonalizable. Note that the algorithm

of Corollary 4 and the Newton method are equivalent. However, the

derivation of the above algorithm lends itself to the development of other

methods whose convergence is of any prescribed order.

A cubically convergent algorithm can be derived by setting r s 3 in

Theorems 2 and 3 as in the next result.

COROLLARY 5. Let A be an m = m nonsingular complex matrix and

define the following sequence A kq 1 s A3k q 3 Bk2 A k A and Bkq1 s 3 A2k Bk q

Bk3 A, with A 0 s aI and B0 s I. Then for some a g C , the sequence Bky1A k

SQUARE ROOTS OF COMPLEX MATRICES 399

then the sequence satisfies the recursion X kq 1 s X k y 2Ž3 X k2 q A.y1 Ž X k2 y

A. which with the initial guess X 0 s aI con¨ erges cubically to 'A and

X kq 1 y 'A s 2Ž3 X k2 q A.y1 Ž X k y 'A . 3.

3. ANALYSIS OF CONVERGENCE

iteration in Theorem 2 as a fixed point iteration as established in the next

result.

THEOREM 6. Assume there exists an a g C such that < l i Ž aI y

'A .rli Ž aI q 'A .< - 1,for i s 1, . . . , m. Then the sequence X k defined in

Theorem 3 is rth order con¨ ergent, i.e.,

r

X kq 1 y 'A s O Ž X k y 'A . ,

or equi¨ alently, there exists a constant S G 0 such that

5 X kq 1 y 'A 5 F S 5 X k y 'A 5 r .

Ý rls0 2rl Z ry2 lAl and DŽ Z . s Ý rls0 2 l q

ž / ž r

1

Z ry2 ly1Al. Then

/

r

C Ž Z . " D Ž Z . 'A s Ž Z " 'A . .

Define F Ž Z . s DŽ Z .y1 C Ž Z .. Then F: C m= m ª C m=m and

r y1 r

r ry2 ly1 r ry2 l

F Ž "'A . s ½Ýž ls0

2l q 1 / Ž "'A . Al 5 ½ Ý ž /Ž

ls0

2l

"'A . Al 5

r y1 y1 r

s 2 ry1 Ž "'A . Ž "'A .

½ 5 ½2 ry1

Ž "'A . 5 s "'A .

Therefore 'A and y 'A are fixed points for the function F. Now, the

function F can be written as

y1

F Ž Z . s .'A q D Ž Z . Ž C Ž Z . " D Ž Z . 'A .

y1 r

s .'A q D Ž Z . Ž Z " 'A . ,

hence F Ž Z . " 'A s DŽ Z .y1 Ž Z " 'A . r. Note that when Z is a scalar it

can be shown

d y1 ry1

F Ž Z . s rD Ž Z . Ž Z 2 y A. .

dZ

400 MOHAMMED A. HASAN

l s 1, 2, . . . , r y 1. It follows that there is an R ) 0 and a neighborhood,

SR Ž j . s Z g C m= m < 5 Z y j 5 - R4 , of j and a constant K, 0 F K - 1

such that

FŽ Z. y FŽ j . F K 5 Z y j 5

mapping in SR Ž j ... Hence for any X 0 g SR Ž j . the generated sequence

X kq 1 s F Ž X k ., k s 1, 2, ??? has the properties X k g SR Ž j . and 5 X k y j 5

F K k 5 X 0 y z 5 for k s 1, 2, ??? . This shows that the iteration X kq1 s

F Ž X k . converges to j for any initial guess X 0 in SR Ž j . for which

X 0 A s AX 0 . To prove the last conclusion of the theorem, we have

r

Ck " D k'A s Ž X k " 'A . , Ž 11 .

where C k [ C Ž X k . s Ý rls 0 r

ž /X

2l

ry 2 l l

k A, and Dk [ DŽ Xk . s

Ý rls0 2 l q

ž r

/ 1

X kry2 ly1Al. Since DŽ'A . s Ž2'A . ry1 is nonsingular, D k is

nonsingular for all sufficiently large k. It follows that there exists a

constant S G 0 such that 5 Dy1 k

5 F S for all sufficiently large k. Therefore

5 X kq 1 y 'A 5 F S 5 X k y 'A 5 r. This proves the r th order convergence of

Xk . Q.E.D.

There are many formulas in the literature that approximate square roots

of numbers and matrices using continued fraction expansion w4x. In this

section, we express the results of Theorem 3 in continued fraction form.

A. Then for each a g C for which < l i Ž aI q W .< ) < l i Ž aI y W .<, i s

1, . . . , m, W has the representation

W s aI q Ž A y a2 I . 2 aI q Ž A y a2 I .

½

y1 y1

2 aI q Ž A y a2 I . 2 aI q ??? 4 y1 4 5 . Ž 12 .

SQUARE ROOTS OF COMPLEX MATRICES 401

fraction of Ž12. yields DŽ aI .y1 C Ž aI ., where C Ž aI . s Ý rls0 2rl a ry2 lAl , and

ž /

DŽ aI . s Ý rls0 2 l q

ž r

1 /a ry2 ly1 l

A . When A is a scalar, Formula Ž12. reduces

to

A y a2

'A saq , Ž 13 .

2 a q Ž A y a2 . r Ž 2 a q Ž A y a2 . r Ž 2 a q ??? . .

which in the case a s 1 becomes that of w4x. Note that when A is positive,

Ž13. converges for any a g C with nonzero real part. The free parameter

a provides some flexibility in choosing the initial guess in that the closer a

is to 'A the more accelerated is the convergence.

special cases where conditions on the initial matrix X 0 can be imposed to

ensure convergence. Assume that all eigenvalues of A are not on the

negative real line. Then each eigenvalue of 'A has nonzero real part. The

initial guess A 0 s aI with a ) 0 Ž a - 0. forces the sequence X k to

converge to a square root of A with eigenvalues having positive Žnegative.

real part. However, if some of the eigenvalues of 'A are on the imaginary

axis, then the choice X 0 s Ž a q ib . I, where a ) 0 and b ) 0, will lead to

a sequence which converges to a square root of A having eigenvalues with

nonnegative real parts. These observations show in particular that if A is

positive Žor negative definite. then the methods of Theorems 2 and 3

converge for any initial guess X 0 of the form X 0 s aI, a g R Ž ia g R . ,

where i s 'y 1 . This is an improvement over the algorithm in w2x which is

applicable only to matrices which have no negative eigenvalue.

5. COMPUTATIONAL RESULTS

paper we consider in this section some examples to show the behavior of

some of these methods in finite-precision arithmetic. These computations

were carried out on approximately seven decimal digit accuracy. For the

purpose of comparison we will apply Theorem 3 to four examples. The

notation X k, r will denote the computed square root using k iterations and

r th order method. The error is measured in the Frobenious norm 5 X k,2 r y

A5 F .

402 MOHAMMED A. HASAN

8 q 15i y1 y 3i y4 y 9i

3 3 3

y1 y 3i 5 q 9i y1 y 3i

As .

3 3 3

y4 y 9i y1 y 3i 8 q 15i

3 3 3

Ž1 q i . I, yields

X5, 2 s y0.2334079 q y 0.2188985i 1.565499 q 0.8928874i

y0.6059740 q y 0.4491569i y0.2334077 q y 0.2188986i

y0.6059739 q y 0.4491573i

y0.2334077 q y 0.2188989i ,

1.938066 q 1.123145i

which agrees with the exact square root to five decimal places, i.e.,

5 X5,2 2 y A 5 F s O Ž10y6 .. Comparable accuracy can also be achieved using

only four iterations with a third order method with the same initial guess

in which case we obtain 5 X 4,2 3 y A 5 F s O Ž10y6 ..

EXAMPLE 2. Consider the 4 = 4 matrix w2x

5 4 1 1

4 5 1 1

As .

1 1 4 2

1 1 2 4

tion number k 2 Ž A. s 10. When X 0 s I and 4 iterations are used with

r s 3, we obtain

0.9885170 1.988519 0.1852422 0.1852421

X 4, 3 s ,

0.1852420 0.1852420 1.917762 0.5035480

0.1852418 0.1852418 0.5035481 1.917762

while 5 X5,2 2 y A 5 F s O Ž10y7 ..

SQUARE ROOTS OF COMPLEX MATRICES 403

1.31 y0.36 1.21 0.4

As .

1.06 2.86 1.49 y1.34

y2.64 y1.84 y0.24 y2.01

The eigenvalues of this matrix are lŽ A. s 0.03, 3.03, y1.97 " i4 . Apply-

ing the iteration of Theorem 3 with r s 3 and X 0 s Ž1 q i . I we obtain

1.317404 1.181676 0.2569374

X 7, 3 s

1.0659751 E y 02 0.1509080 1.370772

y0.6756389 y1.982304 0.3442460

y8.5186012 E y 02

0.8455525

,

y1.248934

y0.1964209

can be obtained with the same X 0 as

1.317573 1.181780 0.2569094

X6, 2 s

1.0955708 E y 02 0.1507968 1.370820

y0.6754091 y1.982364 0.3442680

y8.5148215E y 02

0.8455746

,

y1.249036

y0.1964408

EXAMPLE 4. Consider the 3 = 3 matrix w2x

1 1 y2

A s y1 2 1 ,

0 1 y1

which has the eigenvalues lŽ A. s y1, 1, 24 , i.e., this matrix has a nega-

tive eigenvalue. Thus the initial matrix X 0 s aI should be chosen so that

404 MOHAMMED A. HASAN

X 9, 3 s y0.4142135 y 0.0000000i 1.4142135 q 0.0000000i

y0.0285954 q 1.1666666i 0.4714045 y 0.3333333i

y1.0285954 q 1.16666667i

0.4142135 q 0.0000000i ,

y0.0285954 q 1.1666666i

then 5 X 3,2 3 y A 5 F s O Ž10y8 ..

In summary, some square roots of nonsingular complex matrices can be

computed using only initial matrices of the form X 0 s Ž a q ib . I. The case

b / 0 is required for matrices having negative eigenvalues.

6. CONCLUSION

complex matrices was developed. Given any positive integer r G 2 we

presented a systematic way of deriving an r th order convergent square

root algorithm. The convergence and its speed are largely affected by the

ratios R i s < l i X 0 y 'A 4<r< l i X 0 q 'A 4< - 1, i s 1, . . . , m, which are ob-

viously dependent on the initial guess X 0 . Thus X 0 serves as a free

parameter for which a faster convergence can be achieved by choosing X 0

so that the R i ’s are closer to zero. It should be observed that the

conclusion of Theorem 3 is still valid if X 0 s aI is replaced by any other

m = m matrix provided that X 0 and A commute. For r s 2, this tech-

nique becomes the Newton method for solving the equation X 2 s A. One

shortcoming of these algorithms is that they cannot be applied to compute

all square roots of A using only initial guesses of the form X 0 s aI,

a g C . In order to obtain all square roots, a matrix sign function of all

square roots is to be computed, i.e., for each square root 'A , a matrix S

such that S 2 s I and S'A s 'A S must be generated and then use S as

an initial guess in Theorems 2 or 3. Finally, this work can be generalized to

compute the nth roots of complex matrices. This is the subject of a paper

submitted for publication w11x.

ACKNOWLEDGMENT

The author thanks the referees for their helpful remarks and suggestions which improved

the quality of this work.

SQUARE ROOTS OF COMPLEX MATRICES 405

REFERENCES

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2. N. J. Higham, Newton’s method for the matrix square root, Math. Comp. 46, No. 174

Ž1986., 537]549.

3. E. D. Denman, Roots of real matrices, Linear Algebra Appl. 36 Ž1981., 133]139.

4. L. S. Shieh and N. Chahin, A computer-aided method for the factorization of matrix

polynomials, Appl. Math. Comput. 2 Ž1976., 63]94.

5. E. D. Denman and A. N. Beavers, The matrix sign function and computation of systems,

Appl. Math. Comput. 2 Ž1976., 63]94.

6. A. Bjorck and S. Hammarling, A Schur method for the square root of a matrix, Linear

Algebra Appl. 52r53 Ž1983., 127]140.

7. W. D. Hoskins and D. J. Walton, A fast method of computing the square root of a matrix,

IEEE Trans. Automat. Control AC-23, No. 3 Ž1978., 494]495.

8. W. D. Hoskins and D. J. Walton, A fast, more stable method for computing the pth root

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Graw]Hill, New York, 1970.

11. M. A. Hasan, Higher order convergent algorithms for computing nth roots of complex

matrices, submitted for publication.

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