EXPLOITING SPARSITY IN NEWTON-LIKE METHODS by Earl Stanley Marwil TR78--H335 EXPLOITING SPARSITY IN NEWTON-LIKE METHODS A Thesis Presented to the Faculty of the Graduate School of Cornell University in Partial Fulfillinent for the Degree of Doctor of Philosophy by Earl Stanley Marwil January 1978 Biographical Sketch The author was born in lartleaville, Oklahoma on July 31, 1950. He spent most of his youth there, attended the public schools, and graduated from Sooner Nigh School in Bartlesville in Nay 1968. In May 1971. he graduated from the University of Oklahoma with high honors, having earned a Bachelor of Science degree in mathewatica. Ne then began graduate study in the Center for Applied Nathematics at Cornell University. In Nay 1974, he was awarded a Master of ScIence, and he completed his Doctor of Philosophy at Cornell in January 1978. --H Ii --H To my friend Denise iii --H Acknowledge?nents The author is very grateful to Cornell University for the financial support it has given and for the use of its facilities. My most sincere thanks go to my parents for their love and generosity during?my graduate study. I would like to thank the members of my special committee for their patience: Larry fayne, minor member, Al Schat:, who served as chairman of the special committee, and John Dennis. who advised me on this thesis. I am very thankful to John for the valuahle comments, for the time, and for the encouragement and understanding. which he haa given so freely. Also, a special thanks to Jorge More', who served on the special committee and advised me on parts of this thesis when he was at Cornell. finally I wish to thank Denise, to whom this work is dedicated, for "the eggs". --H iv - Table of Contents Bin anhical sketch --H ir. ii i'edicatton--H--H ----- iii Ac?now1ed8ements--H------H--H tv Table of contents--H--H v Chapter 1 --H introduction--H--H--H--H----H- I 1.1 General I 1.2 ?xamples 4 1.3 Literature--H--H 1.4 Organization--H- 8 1.5 Frequently quoted theorerns 9 Chapter 2 --H Local and Superlinear Convergence of Srhuhcr('a Nethod II 2.1 IreIiminarles II 2.2 Schubert's update 12 2?3 Local and superlinear convergence --H---- 15 2.4 A ?Cantorovich analysis 21 Chapter 3 --H Sysmetric Schubert update 33 3.1 IreIi?inarlas--H 33 3.2 Notation and technical lemmas ---- 34 3.3 Symmetric Schubert update 42 3.4 Properties of the update 43 3.3 An algorithm--H------H-- 49 3.6 Convergence 31 Chapter 4 --H Natrix Factorizations ----------H-- 33 4.1 Basic considerations--H--H--- 33 --------H-- 36 4.2 Some algorithms ?.3 Continuity of the factorization --H--H 4.4 Convergence--H----H Cbapter 5 --H Further Applications and Conclusion 1.1 Further appIications --H--H--H--H--?--H 5.2 Conclusion--H fliblfography--H `9 66 26 76 27 81 --H vi --H 1. Introduction 1.1 General. Nonlinear problems occur in physics, engineerins, economics, ecology. and many other fields. Let F: ??. 1i? be a nonlinear function on fl--Hdimensional real linear space. the problem of solving a system of nonlinear equations is to find a solution to the equa- tion (1.1.1) f(x) 0. Numerical analysts seek solutions by iterative techniques. The classical Newton's method for solving (1.1.1) is a linear--H ization of the Taylor expansion of F. Given a starting point or initial approximation, x0 to the solution, the iteration can be defined by (1.1.2) xk+i ??5k --H F? 0 such that IIF'(x) --H F'(x')II < elix --H 5*11 xcD0. If there exist constants O1 and o2?> 0 for which (1.5.1) IlBkel?F'(S*)II < ?I+a1o(x?x?+?)]iIBkF'(x*)II + m2O(s?x?+i) with o(x?`5k+l? max(llx??x*11 15k+l?5*11?' then there exist ?,? >0 such that if ? D0 and 11x0--Ha*ll < and IIB0?l?(xt)II < I then the iteratton (1.1.5) and (1.1.6) is well defined and converges linear--H ly to x'. - 10 - Theorem l.?.2 Banach Perturbation Lemma [27?. --HI Let ACr L(1n) and assume A is Invertible, with IA II < m. If IA --H CII < 8 and 8? < I then C is also invertible and IIC?1I I < --H1f--H58 Theor?m 1.5.3 Superlinear convergencei4]. Let ?: iRn ?? he continuously differentiable in D0, open. convex. Suppose there exists x?cDo such that F(x*) 0 and F'(x*) is non--H singular. Let ?8k? be a sequence of nonsingular matricex in If there exists an x0 such that (xkl, defined by xk+l xk --H -IE(xk) k 8k remains in D0 and Xk I x* for any k, and xk?xt Then (x I conver--H k ges superlinearly to 5* if and only if (1.5.2) tim 118k--HF'(x*)J(xk+l--H5k?11 15k+l --H 5k1 2. Local and Superlinear Convergence ci Schubert's Method 2.1 Preliminaries. for continuously difierentiable 1, Broyden's method [2? for solv- ing (1.1.1) generates a sequence ci matrices which approximate the Jacobian. Civen x0 and B0 nonsingular, define the iteration: (2.1.1) Xk+l = xk --H Bk1F(xk) and --H Bksk)aTk (2.1.2) Bk+l = 8k + T kk where = F(x ) --H and 5k = xk4l --H xk The matrix Bk is k+l F(xk) corrected or updated to obtain the next approximate Jacoblan Bk+l. The formula (2.1.2) is called the Broyden update; it replaces (1.1.6) in ?he general formulation ci the quasl:Newton methods. Definition 2.1.1 For vectors u,v ?n define the subspace ?v,u by )v,u iA L(lln) : Au = v). This is the quotient ci v by u. Broyden's update is a projection of Bk onto Q This oh- servation is due to the fact (l? that ?k+l is the unique solution to (2.1.3) min I IS --H BkIIF : SCQy?e? I where jj?j1? is the Frobenius norm. Another way ci viewing the Frobenius norm of a matrix in L(lln) is as the L2 norm ci a vector in n5 The convergence properties of Broyden's method are given in the --H Ii --H --H 12 --H following theorea. Let J(x) = be the Jacobian of F at the point x. Theorem 2.1.2 [l5? Suppose F: ?n ?n satisfies (2.1.4) and (2.1.5): (2.l.4)(a) I is continuously differentiable in an open convex set D0. (b) There exists an x*cD0 such that I(xt) = 0 and J(x*) is nonsingular. (2.1.5) There exists a constant, % > 0 such that iIJ(x) - < Kix --H xII? for all x,xED0. Then there exist c,i >0 such that if x0 rO0 and ?o nonaingular aatisfy 1ix0 --H a*ll2 < E and 1180 --H J(x?)tl? < 1 then Broyden's method generates 18 1 with Ilk nonsingular and (a ) which converges k k to a* and convergence is superlinear in tbe sense of (1.1.8). The update (2.1.2) does not take advantage of any sero--Hnon:ero structure. The second term on the right in (2.1.2) is a vector outer--H product, and is in general a full matrix. 2.2 Schubert's update. Schubert [36] proposed a modification of Broyden's method to accom--H o+odate systems of nonlinear equationa with sparse Jacobian. Following the definition for linear problems [16], a Jacobian will be considered "sparse" if it has less than l0? nonrero entries. Recall that the iteration (2.1.1) and (2.1.2) would be implemented as (1.1.9), (1.1.10), and (2.1.2). The solution of a linear system with 8k as the coeffi- cient matrix is required. The pattern of zero and nonzero entries, or --H 13 sparsity pattern, in the Jacobian is assu?ed to be fixed for all x. Definition 2.2.1 For j = 1,2n, define zjC3t? by (2.2.1) Zj = (v ?n : etv = 0 for all i such that [J(x)%1 = 0 for all x? 1:n1 th Z is the subspace determined by the sparsity pattern of the J row of i(s). Also. define `be set of matrices Z that preserve the sparseness structure of J as (2.2.2) Z (A c L(lin) : Ate?r Zj for j = 1,2 A matrix, 11, is said to preserve the sparseness structure of i if B?Z. Corresponding to each Zj there is a projection operator that lin `ups onto Z Definition 2.2.2 For j = 1,2n, define v tL(? ) by (2.2.3) Dj = diag (dj1?dj2djn?' where djj = ?, ot1??????se???? = 0 for all ?? It is clear that Dj is a projection. In Lemesa 2.2.3 Let J(x) be the Jacobian of FcC (I ) . Then for j = 1,2, (2.2.4) eTJ(x) = eTJ(x)D for all xc 1in j j j (The vector Cj is the ?th column of the nen identity matrix.) Proof: By Definition 2.2.1, ?eTJ(x)?T t Zj For any vc 2, DjV = V --H 14 Equ?tlon (2.2.4) follows. To simplify notation for a given iteration, no subscript will de- note the current iterate, and the subscript "plus", +, will indicate the next iterate. For esaeple, (2.1.2) would be T (2.2.3) B = B + ?Bs)s + T The idea Schubert had was that the update should be asade row--Hwise to preserve the sparsity pattern. The Schubert update can be susmar--H ized as (2.2.6) tn=1 ejeT (VT?BS) ?T 5 ?o ? 5i5J where 5 = D s. Note that for = 0, the zero correction is added to j j si th the j row of B. ?or a scalar ar ? the notation of the pseudo--Hin verse is a suterscr? "plus": if a 0. The update (2.2.6) can be rewritten as + j=l j (2.2.7) B = B + 1tn (5T5jj --H Bs) ejaT. Lesma 2.2.4 Let F r c1(ii0) Let Bc Z; x+,xc ?n Let a = x+ --H x and y = F(x ) --H F(x). If 8+ is defined by (2.2.?), then 8+ tQ nZ. + y,s Proof: For I = 1,2n, multiply both sides of (2.2.?) by 5T1 to obtain (2.2.8) T T ??i?i? ?T1(y?85) 5T e1B+ = e1B + T+ --H 15 z . Lin--H Since B , Z it follows that BTe1 t Z ? By definiti?n. a earity implies B+e1 rzi. and thus 5 cZ. To prove 5+ C Q exa?ine B 5 and y compnnent he cosponent. y.s + If s? i 0 then (2.2.9) T5 ? eTss + (5T5)+ T( B) T i + I ii s1y --H 5 5j5 ? . For 5 6 0 Since ?i is a projection of a, s?s = ?i?i I (aT + T --H1 i?i? = ??i ?i? by definition, and equation (2.2.9) reduces to (2.2.10) o+T1B+s = 5T155 + eT(y --H sa) = eTy. If St 0 then by the Mean Value Theorem (273, there exists t1t(o,i) such that (2.2.Ji) T T CiY e1?(x+) --H 1(x)) = eTJ(x + --H i ti 5)5 =5T??5 + t1s)s1, because J C Z, = 0, since ?i = 0. Thus, for I = 1,2 n, eT1s+5 = eTy. which implies that B+s = Therefore B c Q + y,s The Schubert update is the unique solution to 5 minimirstion prob- 1cm. The update B+ can be viewed as the projection of B onto Q flZ. y,s Theore? 2.2.3 Let BC z; y,sC with a # 0. Define B+ by (2.2.7). Then B is the unique solution to min(ljS --H B1i1: Sc Q flZl. + y,s --H It --H Proofs Let Sq nZ. Then ?s = y end y,e T +T T (2.2.12) IIB+ --H B11g = II ? ?5i5i? ei(S?B)si cici II? 1=1 ? n? (sTisi )+eT(??B)sil2 15i1122?? 1=1 ? n? IeTi(S?B) I 12214 I Is - ?l F i=l Uniqueness follows aince f: L(lin) lin defined by f(A) = IIA-BII? is stricLly convex and ??5nz is convex. 2.3 Local and superlinear convergence. In l9?l, Broyden gave a local convergence proof for Schubert's o+ethod [3?. He conjectured that the method was superlinearly conver- gent based on numerical results. A different, simple proof of local convergence is by an application of the Bounded Deterioration Theorem of Broyden, Dennis and More [4?. Although superlinear convergence was first proved for Broyden's method in [4], the techniques for the proof in [133 are extended to Schubert's method here. The Bounded Deterioration Theorem gets its nawe from the hypothe- sis on the behavior of the approximate Jacobians (1.5.1). Define = B --H J(x*) and E = B --H J(x*) for B,B+ c L(? ) . Then (1.5.1) may be written as (2.3.1) lIE_ II < [1 + a?0(s?x+)]IIfII + m2o(x,x+). The norm ??.l is unspecified. The error IIE+II may be worse than IlEll, but only ins controlled way. The difficulty in applying the --H 17 --H Bounded Deterioration Theorem is to show for a particular norm that the estimate (2.3.1) is satisfied for the update method generating the 5--H quence of ??proxinate Jacobians. For Broyden?s method. the Frohenius norm was one for which (2.3.1) was proved in 113] That is the same norm in which Broyden?s update was a minimum norm correction. See (2.1.3). Theorem 2.2.1 shows that Sthuhert?s update is also a minimum norm correction in the Frobenius norm. The following tteorem provides an estimate for the Schubert up--H date in the Frobenius norm. This is the crux of the subsequent conver- gence results. Theorem 2.3.1 Let B.JtZ and ???? ?n with a ? 0. If B+ is de- fined by (2.2.?). then 2 2 Il(B--HJ)5lI22 ?T)+eT(?Js)]2. (2.3.2) llB+--HJIl? < lIB?JIIF --H 2 i?1 ?1?i 1? 115112 + proof: By definition of the Frobenius norm, IIB+?JlI2F = t (eT1(B+?J)ejJ2 i.i=l Substituting for B+ using (2.2.?) gives SiCjJ (2.3.3) lIB+?JllF2 = ?? [eT1(B?J)ej + (aT1si)+eT(y?Bs) T 2 n T 2 T T ? i[e?(B--HJ)e + 2e1(B--HJ)e?(5T151)+eT1(y?Bseja1 i,i=i + (Ts)+2eT(y?Bs)]2(eTs )2j 5iji --H 18 - 18??11E2 + 2 n? (sTisi)?eT(B?J)sl eTj(y?ls) ???1(sT1s?)+?eT(y?Bs)]2 The second equality follows by expanding the quadratic; the third is by summing each term over J 1,2n. ?ow, add and subtract Js in both the second and third terms. Then, + 2 n? (sTisi)+eT(B?J)si [eT?(y?Js) + 5i?8?3?53 (2.3.4) 18+??112F = I IB--HJI 2 T + ???j(sTs?)+[eT(y?Js) + eTi(J?B)s?2 = 18??112F + fl? (sT?s?)+i2eT(B?J)a?[eT(y?Js)] + 2eTi(B?J)si[eT(B?J)s) + ?eT(y?Js)?2 + 2eT?(y?J5)[eT?(J?B)s? + [eTj(J?B)s]2) T T(8?j)5 = eT(B-J)a. The first and Since 8,3 Z, ?8?3?5i r Zi and e? ? fourth terms inside the summation cancel; the second and fifth combine to yield (235) BJI2 = 118?3112 + n? (T)+(eT(?J5)]2 T(g?J)52) -. +?F F ___ s?s1?? ei. Finally observe that 115i112 < 115112 implies that (5T5_)+ 0 for i = I, - 19 --H 2n, such that lleTJJ(x) - J(x)?lI2 ? 0 and a < (b + c ) < (b + c) then a < b + c. Inequality (2.3.1) is satisfied in the Frobenius norm with a1 0 and a2 = . The hypotheses cf the Bounded Deterioration Theorem 1.3.1 (iSJ are satisfied and this proves local and linear convergence of Schu- bert's method. Theorem 1.3.3 gives a necessary and sufficient condition for superlinear convergence. To show that (1.5.2) is satisfied for Schu- bert's method requires 5 more careful estimate of the right hand side of inequality (2.3.10). Observe that T 2 IIE(I --H 55 2 _______ T?11F = This and (2.3.1)) give (2.3.13) ilE+llF ? [IlEll2?I1Esl122 ?? + I 1151122 --H 21 --H The proof now proceeds as in Dennis and More [p. 38,153. For a,b > 0 (a2 --H b2)4 0 such that IIBD1112 ? f IIJ(x0)--HB011, 0 that (2.4.1?) rn? llxk+l --H xkiI2 < r. By hypothesis, 11801112 < 8 so that (2.4.18) ll8?l8 --Hill < 8118 --H 0 m+l F --H m+l 8O11F < 8?ll8m+1?J(Xm?i)llg + 1j?5rn+1)--HJ(x0) 11F + 1??'O??8Ol1F?' using the triangle inequality after adding and subtta.tIng both and J(x0). Now Le?a 2.4.2 can be applied to the term 18m+l???5m+l?11F yielding a m (2.4.l?) ll8?l8 3 0 vn+l 111F --H< 8?211??5O??8O11F + 2'_? 11,k112 + IIJ(x,,,,1)-J(x0)ll?3 < 8[2i + 32Kk?OIlSkll2 + `Il?m.t?XOII2] since llJ(xO)?8ollF < I by hypothesis, and IIJ(Sm+1)??(xO)llF < ( ?? lleTi(J(xe,,l)?J(xm))ll2)? < ( ? k1 llx.+l?xOIl2) 1=1 --H 28 I Ixm+i?xoI 12 Applying the t?iang1e ineqoality to IJXm?l?XoII2 gives (2.4.20) II8o1Bm.i?IIIi ? 281 + ?8e w? 11Sk112 <28i + ?f?r by (2.4.17) --H 281 + 8?t?l--H(i--H8h)4](1--H38i) by deflni?ion of r. Now, 0 < h < 8 implies that 0 < (l-8h) -< and [i--H(l--H8h)43 < 1. Then c --H85[1--H(1-8h)43 < 1. Therefore, (2.4.21) --Hl 18o 8m+1?1 j? < 381 c(i--H3?i) (l--Hc)3ii c < (I--Hc) ? c 1, since 388 < I by hypothesis. Since l.?J2 < I1?11F' (2.4.21) 1w--H --H1 piles 1IB0 8m+i?1112 < I and by the Banach Lem,na 1.5.2, --Hl --Hi --Hl --H1 (B0 8m?i? 80 = 8m+i exists and (2.4.22) IIB?1 II (1--H28i)i$f 15k1 2) ?+I 2 k=0 The next step in the proof is to define the scalar iteration which wajorizes the sequence (Xk) produced by Schubert's method. Let b0 h0= s and set to = 0 i'efine the scalar function f: Ii Ii by --H 29 (2.4.23) f(t) 2?? 2 --H (b0 --H 3i)t h&?n. Define hk i and b --H b?1 Dci Inc tIe ,.?l'r iteration (1--H2ii?8ct?) k --H k (2.4.24) tk,i = tk + bkf I?bclF(xO)II2 1151112 Since r is the miii s-uot of `be quadratic (2.4.23) or equivalently 26cr --H (i--H3iii)i `I. elementary analysis shows that r > ?. Thus (2.4.25) r > 1151112 Assume that tkc (O,r) for k = 1,2m. Then by (2.4.24) (2.4.26) r --H tm+i = r --H tm + h??f(r) --H f(tm) (r?tm)[l+hmf?(i)]. for ? (im,r), since f(r) = 0 and by an application of the Ne?n Value iheorem [27?. Next, the derivative is shown to be negative. Differentiating (2.4.23), and evaluating f' at t gives (2.4.27) f'(?) 4 i --H (b0 --H 3i) < 4cr --H (b --H 3ij 0 - 30 ?l--H(1--H8b) ](b0--H3i) --H (b0--H3i), by definition of r, = --H(l--H8h) (b0--H3i) < 0. This implies I + hmf'(i) < I and with (2.4.26) yields t?tm4l --Hhm(bo?3i) ? --Hh0(b0--H38) = --Hl?3fi > --HI. Thus I + hmf'(i) > 0, and 0 < r --H tm?i < r0 --H tm. Therefore itk1 is strictly increasing in ?0,r]. Hence itk1 converges to t* < r. if ft < r, then t* = t* + (1 --H 2ii --H --H5get*)--Hlf(t*) and f(t*) must be zero. Therefore t* = r since r is the smallest root of f in [O,r1. it remains to show that k=?o''5k''2 < r for all m. The first tep of the induction is satisfied by (2.4.25). Suppose that x0,x1 Xm satisfy (2.4.29) 115k+i --H XkII2 < tk+l --H tk k 0,1m--Hl. m-l Then ? 115k1 12 < tm < r and the first part of the proof ot (b) shows 1im1 exists with I 8m1 I 12 < hm To complete the induction, it remains to show that lix --H x < t t F m+l m 2 --H m+l - m or Schubert's method, Xm+l Xm = 8m1F(xm) and 0 F(Xm?i??8m--Hiam?i. Now, Xm+l Xm = Bm1EF(xm) - E(xm?i) - ?.s-l?mi?` --H 31 --H and taking norrns yields (2.4.30) llSm=1?Xmll2 = I 1?m [F(X?)?F(Xm?i)?B?iS?i]ll2 < h_[llI(xm)?F(xrn?1)?J(Xm?i???--Hl 112+ llJ(x???1)--HB1?1 121 l5?i 1121 < h_?? win 2p > 0. i I Siwilarly D --H A can be written as a sum of positive semi--Hdefi- nite rank--Hone watrices (3.2.11) D --H A i 0. Therefore P is positive semi--Hdefinite and win e.v. (1 -P) > wIn > 0. `s T I as Ii In general, win e.v. P > 0 and win e.v. (I--Hp) > min(?, win ilo ii This gives the lower bounds. The bounds on the largest Pigenvalues follow from Toint [38] also showed that 0 + A is positive definite. - 39 - ?Tx = 5T(1?p)5 xTpx. This completes the proof of Lermsa 3.2.6. Lemma 3.2.7 Let u,v,s ? 11 and P be given b? Then (3.2.12) (D+(l?P)??u.v? = Proof: Suppose that the ?ero component? of a are ?.4e?eJ l(rst. Then I --H P - Now, (3.2.13) (`D+(1--HP)?iu.) = ? [2(sTisi)+eTujeTv (?1tr ?)atum.vm) -Note that (i?P)mDm = ??0m + Am) which is symsef?i p?sitive deft--H nite by (3.2.10). Its inverse must be symesetri= a.'(?(ve definite also, so that (3.2.14) I -l ?1???m um?vm? = (`um?Dm1(I?P)m'vm? From (3.2.13) and (3.2.14), (3.2.15) ?D+(l?P)?1u.v,) = ? eTu[2(sTjsj)+eTvJ o+ 4'.m?I'm'(I?P)m'wm) = (u.?+(I??)?1v? and the result follows. Le?a 3.2.e Let arlln and P be defined by (?.??1). - 40 - T (a) If v r ?n ?s such that e1v 0 for all I such that 5? = 0, then (3.2.16) - 4D+(l?f)?1v.v? --H< - (b) If u ? 1tn then (3.2.1?) (D+(I--HP)?1u,u? < max (2 n? (sT1s?)+(eTju)2 Proof: A8ain assume that the zero components of 5 are ordered first. (a): Tten, (3.2.18) --H?fl+(I-P)?1v,v? = --H ? 2(sT?s?)+(eT1v)2 - 4Dm1(l??)m1Vm?Vm) 2 v v T2 IT - I-PI) T I ma mm 5 Ao T T 2 since ?t?i <5 5 and (Mx,x) > 11X112 for nonsingufar N. I HI 12 By Le-a 3.2.6, 1?'?I?m11 < I so 2--H (3.2.19) 1?1???m0a112 --H< 1?1?1?m11211?m112 < IIDmII2 T < max 5 a --H L0. Therefore. by the Neumann Lemma v 60 (5 5 i ii pk = (i--HP)?1 k=O and A is the solution of (3.3.5) (1 --H p)A = (y-Bs) Observe that the matrix (I--HI) has the same sparseness tructute as V f. Although (1--H?) is not symmetric we can rewrite the update so that the linear system is symmetric and positive definite. Again assume that the zero components of s are ordered first, then - 45 - (3.3.6) 11+ = B + (e 5T ? a CT) eT? i i i i i J=l 5 #0 where ? is the solution to (3.3.7) ________ I o (y--HBs) fi 0 0m Am and G diag(?i??2 with ?i defined by T1 s1Tisi;? if?=0SfiO 3.4 Properties of the update. The first lemsa of this section will verify that the update has the desired structure. lemma 3.4.1 Let BrSflZ and y,sc?0 . Then B defined by (3.3.4) satisfies Ii t SflZ(\Qy,5 Proof: Obviously B cS. To show B cZ. it is sufficient to checI: + + that e r Zi for each i. For I 1,2 (3.4.1) eTB+ = CT1B , 4(sT1s1)+eT1AsT1 + 4 ?? eTaj(535j)+eT??T J=1 J The transposes of the first and second terms on the right are in Z by Lemma 3.2.3(c), the transpose oi the third term is too. Therefore, B s To see that B tQ , form the vector B s and cIe?k co?p?ncnt--Hwise + y,s + --H 46 - that eTiB+5 eT1y, i 1,2n. If St f (3.4.2) eTs s = eTBs + 4eTA ?T T +T T I I I ? 41=1e1s?(s1Sj) e?ACjS = eT1BS + ?T1(1?p??, from (3.2.4), = ejY. If s?= 0, then T T (3.4.3) e1B s e B & -? 0 I + i -- By the Mean Value Theorem [27?, there exist t1t (0,1) such that eTj(g+ g) = eT1Jg(x + ti5)5 Then eT + ?i???i = 0 because J rZ. Therefore B ?Q 1Y = eT1Jg(x g + y,s and the proof Is complete. The following estImate will be used to prove the convergence properties of the algorlthm given in section 3.5. Theorem 3.4.2 Let B,J c Sr'Z and y,s r lIn with a ? 0, and let B be defined by (3.3.4). Then (3.4.4) IIB+?II2f < 2 II(f-?)+II2 IIB?JIIF --H 2 115112 55 n 2 + max(2, max ?) ? (s1s1)+[e1(y=Js] p ?0 p 1=1 J i Proof: Expand the expression for the Irobenius norm of B --H - 47 --H (3.4.5) IfB+ --H Jil2 T F ? le (? --H t,i=1 t + ?? [eTj(B?J)e? + 4(5T5 )+eTAsT T T I,j--H1 I I I I J I j = n? ([eTj(B?J)ej]2 + 2eT1(B?J)ej(5T15j) eT??T5 1,1=1 I t + 4[(sT1s1)+(eT1?)(eTjsj) + 4(sTjsj)+cT1IcTj?1(%Tjsj)+cTjAeTjsj) = IIB?JIIF2+ n? (sT1sj)+eTjAI2eT1(B?J)s+ 4eT?? ? ? (5T5 )+eTs eTs eTA). i-I ?? ? ? ? ?ow observe that y--HBs = (I--HP)A = 41 + 4? ?? (sTsJ)+eTjs sjeTjJA J?1 and (3.4.6) T T nT +T T T c1(y--HBs) = 4e11 + ? ?(sjSj) CjSCg%jCjA i=1 = 4eT11 + 4 n? (sTisJ)+cTsLeTISJeTiA by (3.2.3)(b). i=1 Therefore, (3.4.6) applied to (3.4.5) yields (3.4.?) IIB+--HJ112 = IIBJII2F + n? (sT1s1)+eTl[2e3(?J)s ?T1(y??5)? = IIB?JIIF2+ n? (sT1s1)+e34e3(B?J)s o+ ?T1(y??5)j To complete the proof, examine the sum on the ?i?bt hand side of --H 48 - (3.4.7). Let u y - 35 and v = (B --H J)s. Then A (l--HP)?1(y-Bs) = (l-P) (u--Hv), and (3.4.8) n? (sTjs1)+eT1A[eT?(B?J)s + eTj?y?Js)] = n? (5T15?)+et(1?P)?1(u=v)[eT1v etjui t=1 = n? et1D+(l?P)?l(u?v) eT1(v t t=l (D+(l-P)?1u,v? ?D+(l-P)?1v,v) + ?D+(1--HP)?1u,u? - ?D+(1?P)?lv.u) Now, substituting (3.4.8) into (3.4.?) gives (3.4.9) 1l8+??11F2 = 18?311F2 + 4D+(l--HP)?1u,v? --H ?I)+(i--HP)?1v,v? + ?D+(I-?)=1u,u? --H = 18???'F2 --H ?D+(1?P)?iv,v) + by Lemma 3.2.?, 2 vTv 5T5 ? T +T2 18?311F --H 5?5 + max(2, :a;oJAe2) ? ??i?i? (e1u) i--H--HI (B?J)2 ?T5 ? 2 ___________ + rsax(2, max A??) ? (sTisi)+[eTi(y?Js)J2. - 18311F --H 1151122 plO i J the inequality in (3.4.9) follows from Lemma 3.2.8 and since s?= 0 --H 49 - implies ? T T i by Civ Cj(B --H J)S ei(B --H J)61 0. The last?equality s substituting for u and v, and the proof is complete. Finally, 8+ defined by (3.3.4) is the solution to min 1118 - 811 8rS?ZflQ ). F y,s it is straightforward to apply the variational techniques [233. [223 to this constrained problem. The solution by Toint [383 to the problem posed in the variational form [313 is the same as the 8 in (3.3.t). 3.5 An algurithm. Let x ? , BC SflZ, positive definite be given. I. Solve Bix --H8 for ?x, the step to be taken; g g(x) 2. Set X+ x + 8x. 3. Evaluate g+ = g(x+); test for convergence. 4. Set y ?+ --H 5. For each i such that leTiAx < Il???i4Il2 with ii > 2 fixed, T set Pj = 0; otherwise p e ix . This defines 5, the step i i used to update 8. 6. Compute 8 from B,s, and y using (3.3.6) and (3.3.7). The convergence theorem in the next section will show that 8 is positive definite in the region of local convergence. An implementa- tion of the algorithm might avoid singularity of the liessian approxima- tion by re--Hevaluating the llessian 8k= J (x ) or by adding a positive g k diagonal matrix to a singular or nearly singular 8k One possible choice for starting the iteration would be to take 80 = 1. - 50 - The test in step 5 meJos that oc co?rposeot of As should tend to zeto faster than its correspooding projection. Also, this ensures that the cigenvalues of P, defined by (3.2.4), are not tending to I as k?--H, or those of the matrix associated with the linear system (3.3.7) are not tending to 0 as k?--H. This is critical for the `conditioning of the linear systems involving A or ?, and it is also important in the convergence proof. The test is about what would happen anyway on the machine. When the si?e of any component is less than machine precision times the size of the corresponding projection, that component is insignificant. I I In other words, for Ii = n?mach.eps. , the algorithm is roughly the one carried out on the computer. On the other hand, for small Ii, say Ii = 2, it Is likely that many 0 are set to zero. In that case, the correction to Ii doesn't take ?,ch work. This is close to the idea of keeping the same approximation to che Hessian for seseral it=rations [151. In step 6, the form of the update (3.3.6) is preferable to (3.3.4) since the linear system (3.3.7) is symmetric. This, of course, requires some bookkeeping to do the permutation on the vector s and the corre- sponding permutations of ? and y. However, the important block in that sym'setric system has the same sparseness structure aa the corre- sponding block of the permuted Hessian. Also, this is a possibly small- er system to solve. 3.6 Convergence. Theorem 3.6.1 Let f: ?n It be C (00) for ?o open and convex; assuTne there exists ?? t l3o such that Vf(x?) :. ??t?5el ta post. tive definite a?d [V2f(x)]jj ? 0 for all ? ? ?t ts??e exists K = (k1,k2,... ,k0) ? ?n with k 0 such that (3.6.1) lIeT1(V2f(x) --H V2f(x+))ll2 0 such that for (x0,B0), B0cZflS which satisfy 11B0 --H v2f(x+)II2 < I and 11x0 --H x*112 < c ten the syrmuetric Schuhert method generates (Bk) with Bk well-defined and (xk? which converges linearly to x*. Proof: Choose M > 2, and set c = IlK112. From Ihc?rern 3.4.2 with J = = V2f(xt), 2 2 5T151 ,, [?T1(y?j*5)J2 (3.6.2) II11+?J+IIF?< liB-J*il + max(2, max 2 T j 0 Pj I I `I For xi ? 0, an application of the Mean Value Theor? 12i\ gives (3.6.3) leTi(y?J?s)12 2 2 2 --H< k1o(x,x+s) 115112 where o(x,x+s) = max(llx--Hx*ll2, IIx+s --H x*l 12) Therefore, T T 2 n [e (y?J*5)? 2 2 (3.6.4) max(2, max 2 ? < M `(x.x.s) #0 tj si=#lo SiSi 52 --H and this with (3.6.2) implies 2 2 2 2 (3.6.5) 18+?3*11F --H< llB=J+llF + M?o(x,s+s) and (3.6.6) 18+??*11F --H< llB?Jall? + aa(x,x+s) where a = M4. Now, (3.6.7) so that (3.6.8) I Ix+s --H xal 12<115112 + lix --H x+l12 < ?II?xII2 + IIxx*112 < 4L0H[IIx?x*iI2 + IIX+?XtIi2] + IIx?x*II2 --H< (l+FN0)IIx?xtII2+ t?nIIx+?xaII? a(x?x+s) < (l+FN0)IIa?x*Ii2 + F0M1 lx+?x*I 12 r equal to the smallest k 10' ht.h ILke1 = max rJ?? 0, a fixed constant 2. Evaluate F0= F(x0) and J0-- 3F?'o? 3. ?erform a Dolittle factorization of J0 to obtain J0 L0U0 where L0 is unit lower trian???lar and U0 is upper triangular. Set k 0. 4. Solve Low? = ?Fk and Uksk = for wk and 5k respectively. 5. If = = m-l set x0 = 5k + 5k and go to 2; else set xk+l = Xk + 5k Fk+l = and = Fk+l - 1k 6. Solve L0vk = 7. Update the jth row of Uk if 115k112 --H< 811?5k?j112 Let Xf(Sk) e (J: 115k112 --H< 611?5k?j112? (4.2.1) Uk+l = Uk + I F(s?)Tj(sk)j?+eTj(v??U?s?) Cj?5k)T 18?5k? i Replace k by k+l and go to step 4. Another technique for getting started in step 2 would be to make --H 58 - a finicc, difference approxi?acion ?6] to i?(xo) i?stcad of evaluating all of the partial derivatives. The other basic algorith is to use the Cruut factoti?atlon in place of the Dolittle factorization. Algotith 4.2.2 1. Civen x0 c Ii ? a fixed positive integer, and f > 0 fixed. 2. Evaluate F0 = F(x0) and J0 JF(Xo) Set k = 0. 3. Factor J0 = L0U0 using the Crout decowposition. 4. Solve L?v? = ik and 1i05k wk 5. If k in-i, set ? xk 5k and go to step 2; else xk+l = Xk 5k' Fk+l = F(x?+1) and ?k = Fk+l 6. Update the 1th row of Lk ii IIWkII2 < lII(w?)iIi? Let xe(wk) = (j: IIwkIi2 ? BII(W?)jII?) T+T T (4.2.2) Lk.l Lk ? ?c [(w?)(w?)1e(y??L?Uos?) e (wk) x (v )iii j J 1k Replace k by k.l and go to step 4. Ther? is one less triang?iar linear system to le solved at each iteracion in this algorithin. Cit algocithm 4.2.1 at step 6. The trade?off is an additional matrix-vector multiplication In updat- ing the triangular factor. implicit in these algori thms is the def ini--H tion of the projections (.) . in algorithm 4.2.1, the projection th is onto the zero--Hnozero structure of the j row of the upper trian--H 59 glat factor. in algorichum 4.2.2, the projection is onto the zero--H th no??zero strucof the J row of the lower triangular factor. The constant i is used to prevent a correction to a row when the projected step along that row is too small relative to the full step. Co?pate with N used in the algorithm in section 3.5. Also note that this technique would he used in implementing the ordinary Schubert update (2.2.h) or (2.2.7) Other algorithos are readily suggested. After the initialization of J0 by either direct evaluation or formIng a finite difference approximation, a Schubert (or Broyden) update can be performed every rn iterations. That is, form the product Bm?i = Lottm?i and obtain B from B?1, Sm and by the Schubert update, then ??????? 11 =LU by the tolittle decomposition. Similarly, algorithm 4.2.2 could be modified. Another modification in the basic algorithms would be to monitor the growth ot the elements in the updated triangular factor and to re- evaluate the Jacohia, if it becomes poorly conditioned. This would supplem??t the cciterlno to re-evaluate every m iterations. 4.3 Continuity of tie factotfeation. The coovergene properties for the algorithms will depend on the continuity of the factorization. The following theorem establtshes 60 when the Crout factoriation without pivoting exists. Theorem 4.3.1 [133 Let A rL(?0) be nonsingular. Then the following are equivalent: (a) Crout reduction without pivoting can he carried out; (b) There is a unique nonsingular lower triangular matrix, L, and a unique unit upper triangular matrix, U, such that A LU. (c) All the leading principal submatrices of A are nonsingular. A similar theorem holds for t-he tolittle iactori?ation. The next theorem gives sufficient conditions for tl?e LU decompo sition to be continuous in a neighborhood of a point where the Crout factorization without plvotio+? is known to exist. Theorem 4.3.2 Let A: lin 110 and suppose for some x e 110 that 0 A(x0) is nonsingular and that there exists t0 > 0 and > 0 such that (4.3.1) Iei[A(x) --H A(Y)JejI < ?ij1? --H y112 for i,J = 1,20, and for all x,y t B(x0,e0). If the Crout factor--H ization without pivoting exists at x0 A(x0) L(x0)U(x0) then there exists t > 0 such that the Crout factorization without pivoting exists for all xrll(x0.e) Eurthermore, there exist constants c0 and d0 > 0 such that - 61 - (4.3.2)(a) IIL(x) --H L(x0) 1tF 0 and 0 such that (4.3.9) leTi[A(s) --H A(Y)]ejl < ?ijIls --H y1l2 for i,J 1,2n, and for all x,yB(s0,r0). If the Dolittle fec--H torization without pivoting exists at ?o' A(s0) L(x0)u(x0) then there exists > 0 such that the folittle factorization without pivot- ing exists for all x B(x0, ). 66 --H furthermore, there exist constants c0 and d0 > 0 such that (4.3.iO)(a) IIL(x) - L(x0)ll? 0 and y ) 0 such that (4.4.1) leT1[J(x) - J+]ejl < Yij lix --H x*li2 for i,j 1,2n, and for all xc Then there exists co ) 0 and a pivoting strategy, F0, such that the Crout factorization without pivoting of fo? exists at x0c B(x*,c0): (4.4.2) P0J(x0) L(x0)iJ(x0) m-i Furthermore, (L?1?? defined by (4.2.2) satisfy 2 2 2 2 (4.4.3) I ILini--HL*ii ? 5 I iLt?L+ii ? + i n(cn + I iL*i I2d0I boll 121 Ix0--Hx+I 12) - 67 - where jrJJF and F (? ), and n? max(iix --Hx'I ii ??? 2,Itx,--Hs?II2) Proof The proof Is very si?ilar to that of the following les=a. Le?na 4.4.2 Let f:?n ?? and suppose there exists x* such that = 0 and J* = J(x*) is nonsingular. Suppose there exists c>O and ?ij > 0 such that (4.4.4) leTi [J(5) - J*?eiI 0 and a pivoting strategy, Po such that the tolittie factorization without pivoting of P0J exists at x0e (4.4.5) P0J(x0) = L(x0)U(x0) Further?oce, (Ui1m--Hl by (4.2.1) satisfy defined 2 2 (4.4.6) 11u5+1 U*IIF ? 11u1 ??? F ii?01ii? n12[eni + IIu+I?2c0I?x0x+II2 where I >0 is set In step I of the algorithm 4.2.1, e 0 jirli r = (? ), and o? = max(IIx --H x+li2' IIXL --H x?II2? ii tol Proof: For the first assertion, let P0 be any pivoting strategy such that the Dolittle factoriration of P03(x*) L+u* exists. Apply Theorem 4.3.3 to A(x) = P 3(x) to obtain to such that -o the Dolittle factori?ation without pivoting of A(x) = L(x)U(x) --H 68 --H exists for all x ? B(x0.?0?. That theorem also gives a c0 > 0 such IIL(x) --H L*ilF 0. Then there exist constants n and n > 0 such that (4.4.9) 11.1 L?1(x),F --H< ni 1F for all xc B(x*,t) and (4.4.10) I I. 111 < nI 1.1 L?1(x),f for all xc Proof: Let n sup IIL?1(x)112 and =n = sup IIL(x)112 x c B(x*,t) x t 8(x*.t) 70 Then L?1(x),F = IIL?1(x) `11F--H< IIL?1(x)II2II.I 0 he such that the matrix norms satisfy 1,11F < ?II?II2 Theorem 4.4.5 Let F:IIn lin be continuously differentiable in an open convex set 00 Suppose there exists x* ? l7o such that F(x*) = 0 and J(x*) is nonsingular. Suppose there exists r = ??ij? with ?ii ?70 such that (4.4.11) leTi?J(x) --H J(?)ie?1 < jx --H y;f2 tor i,j 1,2n, and for all x,y r ?hen there exist ?,i > 0 and a pivoting strategy, P0, such that if 11x0--Hx+II2 ? and ?J --HJ*j < I then the algocithm 4.2.1 gener 0 1F ates (xkl which converges locally and supcrlin?arlv t x+. Proof: Let c1 >0 such that B(x*,?1)C170. Set y 7 jj??1 ? and define x IltilF By Lemma 4.4.2, there exists > 0 and a pivoting strategy, P0, such that the Dolittie factorization of P0J(x) exists for all xc B(at,c ). Furthermore, (4.3.ll)(a) can now he written as 0 (4.4.12) IlL(s) --H L(x+)llF 0 and r r or 0, c2 < a2 + b2 ? (a + b)2 implies c 0 and a pivoting strategy, P0. such that if 1ix0 --H x?II2 t and II?0 - J*IIF < i then algorithm 4.2.2 generates 15kI which converges locally and superlinearly to x*. For the variations discussed following algorithms 4.2.1 and 4.2.2, convergence theorems can also be proved. in the case where a Schubert update is made every a iterations, the bounded deterioration estimate for the Schubert update would be used every a steps in the inductive proof of local cgence. Superlinear convergence is conjectured. in the convergence proofs, the pivoting strategy was fixed through--H our the iterations. flue to the nature of the local analysis, it was chosen in such a way that the factori?ation p0J(x*) was well--Hdefined. in practice, this is not feasible since xt and J(xt) are not known, The pivoting strategy, p0 , would be chosen so that p0J(x0) had the appropriate LU factorization. For x0 sufficiently close to the solution. P0A(x+) will have all principal leading subastrices nonsingu- lar. 5. Further applications and conclusion 5.1 Further applications. Curtis, Powell and Reid [t? examine the problem of estimating a Jacobian, J. by finite differences when J is sparse with a known n n n sparsity pattern. Let F:1R ? have component functions ?i It It so that ii(5 f2(x: F(x) = f (x Then ?F - ??xfji) The finite difference Newton method uses the approximation (5.1.1) ?f? f1(x+h1ei?--H?i(x) hj with the step length h This can also be written as a vector approxi `nation to the ?th column of J: (5.1.2) Je? h\?F(x + hf1) --H The disadvantage here is that n additional function evaluations are required at each iteration. Curtis et al. suggested grouping columns that are mutually orthogonal to allow approximating several col?mns at the same time by one differ- ence. The groupings are accompli?ied by inspecting the columns and group--H ing together those which have no unknowns in common with any other col--H --H 76 - --H 7? --H umn in the group, Sparsity is what makes this feasible. This tech- nique of approsimating the Jacobian reduces the numbe? ?t tuction evaluations compared to the finite difference Newton me:kd. fle choice of step length is discussed in Curtis and Reid ? Tv above problvm is con?idvred sp?tse n [b1 wri?ten in the form F(x) o+(x) + Nx where N is a matrix of known derivatives and J0 is o+%pd??e. Consider now a Jacohian of the form (5.1.3) J(x) = C(x) A(x) where C(x) is easily computed and A(x) is the part ot the Jatobien to be approximated. Dennis 112] had suggested approximating A(s) using its structure as follows: Given 5k' xk+l and 1tk approximating J(xk) set 5k = --H k+1 k = ?(x?+1) --H Compute Ck?l Define ?+? approximating A(sk+l) to satisfy (3.1.4) Ak+15k = --H Ck+lsk This is a quasi--HNewton equation for Ak+l, Now tha structure ci A can be preserved by an appropriate updating formula. In particular, if A(x) is known to be sparse, Schubert's method can be used to update Ak to obtain a sparse Ak+i satlsfyin? (5.1.4). 78 Based on the convergence properties of Schubert's method, local and auperlinear convergence for such an algorithm is conjectured. 3.5 Conclusions. Ciii and Hurray ?O? comment that advantage should be taken of special structure. The structure of a problem can be important in de- veloping efficient methods for solution. Schubert's method takes advantage of sparsity in solving nonlin--H ear equations. An approximate Jacohian can be updated row--Hwise to preserve the sparseness. The advantage here is the reduced storage requirement over a non--Hsparse algorithm. There is less work; the work to compute the new approximate Jarobian is the order of th ol the Jacobjan. At each iteration in the algorithm, a sparse linear system must be solved. These systems all have the same 5re. The preprocessing can be done just once U6] and then applied to each linear system. Schubert's method exhibits the local and superllncar convergence properties that Broyden's method has. The peoofs of t-hese properties depended on finding the bounded deterioration estimate (2.3.2). Also. a miniproperty is satisfied by Schubert's update. ?he symmetric Schubert update can be derived in two ways. One is by an iterative projection technique Pil The other i by varia--H tional principles [23? which also establish a minimum norm property for this update. As with the Schubert method, the advantage of reduced storage is present. At each iteration of the symmetric Schubert algor--H Ithm, two sparse symmetric linear systems must be solved. All of these systems have the same structure. Once a pivoting strategy is chosen ??, the preprocessing can be applied to all subsequent linear systems. - 79 - The algorithm is shown to he locally and linearly converget to a solution. Again the proof depended on obtaining a bounded detet loration estimate (3.f.2). Superlinear convergence of the symnetric Schubert method is conjectured. Natrix factorizations are suggested as a means of solving sparse nonlinear equations. The underlying update is Schubert's update which is used to preserve the structure in a triangular factor of an approxi- mate Jacohian. In the factored form, solution of the linear systems are easily performed. The convergence of the algorlthms is contingent on the continuity of the factorization. Local and suparltnear--H gence are proved for factorirations based on the Crout and Dolittle decomposittons. A further application of the sparse techniques is suggested for problems in which the Jacobian can be written as J(x) = C(a) Part of the Jacohian is easily computed, C(x); part of the Jacobi?n is to be approximated. When A(s) is sparse, an algorithm is suggested and superlinear convergence is coniectured. The convergence results depend on the founded Deterioration Ticorem [i]. No nu?erical results are presented here. Schubert's method has received some testing with good results [3?. Some testing has als teen done recently on the sparse symmetric updating formula [?8],[39]. Tuint claims a superlinear convergence property for that algorithm, however it is not presented. More' has an indication from his testing of a factoriration that the factored update methods perform well [??. Several questions have been raised. The next step is to implement and test the algorithms and verify the theoretical convergence proper- ties discussed here. Sparse nonlinear algorithma hava widespread applica--H - 80 - btllty since most large scale nonlinear problems are likely to be sparse. with the interest in sparse linear problems, codes are avail--H able which will make it easier to handle the nonlinear problems using tbe aigorlthrns presented and discussed here. Bibliography [1] K.w. Brodlie, A.R. Gourlay. and J, Creenstadt, ?a?i ,`?e ad rank--H t,,o corrections to positive definite matricex expre?,c ?, ?ruduct form, 3. lost. Math. AppI. 11(1973), pp. 73--H82. [2] C.C. Broyden, A class of methods for solving nat Itaneous equations, Math. Compi 19(1965), pp. 577--H593. [3] C.C. liroyden, The convergence of an algorithm 1g sparse nonlinear systems, Math. Comp. 25(1971), pp. 2ii5-7?? [4] C.G. Broyden, 3.E. Dennis, Jr., and 3.3. More, ?n (I, i,.?al and super--H linear cce of quasi--HNewton methods, 3. lnsr, N?r6. Alpi. 12(1973), pp. 223--H245. [5] A.R. Curtis and J.K. Reid, The choice of step lentrh' he' using differences to approximate Jacohian matrices, 3. las . ?art'. Ai'pt. 13 (1974), pp. 121-126. [6] A.R. Curtis, M.3.D. Powell, and J.K. Reid, On the e.tta?tton ol sparse Jacohian matrices, 3. lost. M'th. AppI. 13(101;,). 117-119. [7] w.C. Davidon, Variable metric method for minimi?at j?.',, A?C Rts. and tev. Report ANL--H5990, 1959 (revised 1966). [8] 3.E. Dennis, Jr., On convergence of Newton--Hlike ett,,,dx. in Numerical Methods for Non--Hlinear Algebraic Equations, cd. P. Ral,in"?it', Cordon and Breach, Londoo, 1970, pp. 163--H181. [9] 3.f. tennis, Jr., On the convergence of Broyden' .,,tl,?d for nonlinear systems of equations, Mail'. 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