Geometric Optimization Methods for Adaptive Filtering

Steven Thomas Smith

Acknowledgments

I would like to thank my advisor Professor Roger Brockett for directing me in three directions that eventually coalesced: subspace tracking, gradient flows on Lie groups, and conjugate gradient methods on symmetric spaces. I am also indebted to Tony Bloch for the invitation to speak at the Fields Institute workshop on Hamiltonian and gradient flows in April 1992, and to the Fields Institute itself for their generous support during my visit. I greatly appreciated the opportunity to present my work to the distinguished participants of this workshop. My exposition was influenced by the teaching style of Professor Guillemin, and I benefited from many helpful discussions with Professor Anderson, who has always been generous with his time and advice. I would also like to thank the members of my thesis committee: Professors James Clark, Petros Maragos, and David Mumford, not only for their evaluation of this work, but also for the intellectual and social qualities that they and their students brought to the Harvard Robotics Laboratory.

My life in graduate school would have been much more difficult without the pleasant and supportive atmosphere that my classmates provided. The help and advice of my predecessors was invaluable in learning the graduate student ropes. I will always remember sitting on the bank of Walden Pond with Bill Nowlin, Nicola Ferrier, and Ann Stokes on my first day off after a very long first year. “I’m supposed to pick a project this summer,” I said. Bill was quick with his advice: “The summer after first year is just a waste.” I also remember Nicola bringing cookies to me and Bob Hewes late one night because she remembered how heavy the work load was. Ken Keeler and Frank Park enriched the cultural life of Pierce G14 by founding an ever growing museum. Peter Hallinan and Tai Sing Lee taught me some climbing techniques at Acadia Natl. Park. Gaile Gordon hosted many enjoyable and memorable social events. Ed Rak convinced me that I could hack TeX macros and still graduate. Ann Stokes’s friendship made office life enjoyable even in the batcave. John Page and George Thomas worked very hard to ensure that the lab ran smoothly. Leonid Faybusovich taught me about the gradient. I thoroughly enjoyed the discussions I shared with Dan Friedman, Jeff Kosowsky, Bob Hewes, Peter Belhumeur, and others. We all owe a debt to Navin Saxena for making our Wednesday afternoon lab tea a thriving event.

Finally, I thank my family, especially my parents for their encouragement, empathy, and love. Most of all, I thank my wife Laura, whom I love very much. Her constant thoughtfulness, support, patience, and love made many difficult days good, and many good days great.

Abstract

The techniques and analysis presented in this thesis provide new methods to solve optimization problems posed on Riemannian manifolds. These methods are applied to the subspace tracking problem found in adaptive signal processing and adaptive control. A new point of view is offered for the constrained optimization problem. Some classical optimization techniques on Euclidean space are generalized to Riemannian manifolds. Several algorithms are presented and their convergence properties are analyzed employing the Riemannian structure of the manifold. Specifically, two new algorithms, which can be thought of as Newton’s method and the conjugate gradient method on Riemannian manifolds, are presented and shown to possess quadratic and superlinear convergence, respectively. These methods are applied to several eigenvalue and singular value problems, which are posed as constrained optimization problems. New efficient algorithms for the eigenvalue problem are obtained by exploiting the special homogeneous space structure of the constraint manifold. It is shown that Newton’s method applied to the Rayleigh quotient on a sphere converges cubically, and that the Rayleigh quotient iteration is an efficient approximation of Newton’s method. The Riemannian version of the conjugate gradient method applied to this function gives a new algorithm for finding the eigenvectors corresponding to the extreme eigenvalues of a symmetric matrix. The Riemannian version of the conjugate gradient method applied to a generalized Rayleigh quotient yields a superlinearly convergent algorithm for computing the kk eigenvectors corresponding to the extreme eigenvalues of an nn-by-nn matrix. This algorithm requires O(nk2)O(nk^{2}) operations and O(k)O(k) matrix-vector multiplications per step. Several gradient flows are analyzed that solve eigenvalue and singular value problems. The new optimization algorithms are applied to the subspace tracking problem of adaptive signal processing. A new algorithm for subspace tracking is given, which is based upon the conjugate gradient method applied to the generalized Rayleigh quotient. The results of several numerical experiments demonstrating the convergence properties of the new algorithms are given.

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Chapter 1 Introduction

Optimization is the central idea behind many problems in science and engineering. Indeed, determination of “the best” is both a practical and an aesthetic problem that is encountered almost universally. Thus it is not surprising to find in many areas of study a variety of optimization methods and vocabulary. While the statement of the optimization problem is simple—given a set of points and an assignment of a real number to each point, find the point with the largest or smallest number—its solution is not. In general, the choice of optimization algorithm depends upon many factors and assumptions about the underlying set and the real-valued function defined on the set. If the set is discrete, then a simple search and comparison algorithm is appropriate. If the discrete set is endowed with a topology, then a tree searching algorithm can yield a local extremum. If the set is a finite-dimensional vector space and the function is continuous, then the simplex method can yield a local extremum. If the set is a Euclidean space, i.e., a finite-dimensional vector space with inner product, and the function is differentiable, then gradient-based methods may be used. If the set is a polytope, i.e., a subset of Euclidean space defined by linear inequality constraints, and a linear function, then linear programming techniques are appropriate. This list indicates how successful optimization techniques exploit the given structure of the underlying space. This idea is an important theme of this thesis, which explains how the metric structure on a manifold may be used to develop effective optimization methods on such a space.

Manifolds endowed with a metric structure, i.e., Riemannian manifolds, arise naturally in many applications involving optimization problems. For example, the largest eigenvalue of a symmetric matrix corresponds to the point on a sphere maximizing the Rayleigh quotient. This eigenvalue problem and its generalizations are encountered in diverse fields: signal processing, mechanics, control theory, estimation theory, and others. In most cases the so-called principal invariant subspace of a matrix must be computed. This is the subspace spanned by the eigenvectors or singular vectors corresponding to the largest eigenvalues or singular values, respectively. Oftentimes there is an adaptive context so that the principal invariant subspaces change over time and must be followed with an efficient tracking algorithm. Many algorithms rely upon optimization techniques such as gradient following to perform this tracking.

A few analytic optimization methods are quite old, but, as in most computational fields, the invention of electronic computers was the impetus for the development of modern optimization theory and techniques. Newton’s method has been a well-known approach for solving optimization problems of one or many variables for centuries. The method of steepest descent to minimize a function of several variables goes back to Cauchy. Its properties and performance are well-known; see, e.g., the books of ?, ?, or ? for a description and analysis of this technique. Modern optimization algorithms appeared in the middle of this century, with the introduction of linear and quadratic programming algorithms, the conjugate gradient algorithm of ?, and the variable metric algorithm of ?. It is now understood how these algorithms may be used to compute the point in Rn{\bf R}^{n} at which a differentiable function attains its maximum value, and what performance may be expected of them.

Of course, not all optimization problems are posed on a Euclidean space, and much research has been done on the constrained optimization problem, specifically when the underlying space is defined by equality constraints on Euclidean space. Because all Riemannian manifolds may be defined in this way, this approach is general enough for the purposes of this thesis. What optimization algorithms are appropriate on such a space? ? considers this question in his exposition of the constrained optimization problem. He describes an idealized steepest descent algorithm on the constraint surface that employs geodesics in gradient directions, noting that this approach is in general not computationally feasible. For this reason, other approaches to the constrained optimization problem have been developed. All of these methods depend upon the imbedding of the constraint surface in Rn{\bf R}^{n}. Projective methods compute a gradient vector tangent to the constraint surface, compute a minimum in Rn{\bf R}^{n} along this direction, then project this point onto the constraint surface. Lagrange multiplier methods minimize a function defined on Rn{\bf R}^{n} constructed from the original function to be minimized and the distance to the constraint surface. However, this so-called extrinsic approach ignores the intrinsic structure that the manifold may have. With specific examples, such as a sphere and others to be discussed later, intrinsic approaches are computationally feasible, but the study of intrinsic optimization algorithms is absent from the literature.

Optimization techniques have long been applied to the fields of adaptive filtering and control. There is a need for such algorithms in these two fields because of their reliance on error minimization techniques and on the minimax characterization of the eigenvalue problem. Also, many scenarios in adaptive filtering and control have slowly varying parameters which corresponding to the minimum point of some function that must be estimated and tracked. Gradient-based algorithms are desirable in this situation because the minimum point is ordinarily close to the current estimate, and the gradient provides local information about the direction of greatest decrease.

Many researchers have applied constrained optimization techniques to algorithms that compute the static or time varying principal invariant subspaces of a symmetric matrix. This problem may be viewed as the problem of computing kk orthonormal vectors in Rn{\bf R}^{n} that maximize a generalized form of the Rayleigh quotient. Orthonormality imposes the constraint surface. ? propose a projective formulation of the constrained conjugate gradient method to solve the symmetric eigenvalue problem. ? proposes a very similar method for application to finite element eigenvalue problems. ? are the first to apply this projective conjugate gradient method to the problem of adaptive spectral estimation for signal processing. However, these conjugate gradient algorithms are based upon the classical unconstrained conjugate gradient method on Euclidean space. They apply this algorithm to the constrained problem without accounting for the curvature terms that naturally arise. In general, the superlinear convergence guaranteed by the classical conjugate gradient method is lost in the constrained case when these curvature terms are ignored.

? recognize this fact in their constrained conjugate gradient algorithm for maximizing the Rayleigh quotient on a sphere. They correctly utilize the curvature of the sphere to develop a conjugate gradient algorithm on this space analogous to the classical superlinearly convergent conjugate gradient algorithm. Insofar as they use maximization along geodesics on the sphere instead of maximization along lines in Rn{\bf R}^{n} followed by projection, their approach is the first conjugate gradient method employing instrinsic ideas to appear. However, they use an azimuthal projection to identify points on the sphere with points in tangent planes, which is not naturally defined because it depends upon the choice of imbedding. Thus their method is extrinsic. Although the asymptotic performance of their constrained conjugate gradient algorithm is the same as one to be presented in this thesis, their dependence on azimuthal projection does not generalize to other manifolds. We shall see that completely intrinsic approaches on arbitrary Riemannian manifolds are possible and desirable.

There are many other algorithms for computing the principal invariant subspaces that are required for some methods used in adaptive filtering [ComonGolub]. Of course, one could apply the QR algorithm at each step in the adaptive filtering procedure to obtain a full diagonal decomposition of a symmetric matrix, but this requires O(n3)O(n^{3}) floating point operations (nn is the dimension of the matrix), which is unnecessarily expensive. Also, many applications require only the principal invariant subspace corresponding to the kk largest eigenvalues, thus a full decomposition involves wasted effort. Furthermore, this technique does not exploit previous information, which is important in most adaptive contexts. So other techniques for obtaining the eigenvalue decomposition are used. In addition to the constrained conjugate gradient approaches mentioned in the preceding paragraphs, pure gradient based methods and other iterative techniques are popular. The use of gradient techniques in adaptive signal processing was pioneered in the 1960s. See ? for background and references. Several algorithms for the adaptive eigenvalue problem use such gradient ideas [Owsley, Larimore, Hu].

Iterative algorithms such as Lanczos methods are very important in adaptive subspace tracking problems. Lanczos methods compute a sequence of tridiagonal matrices (or bidiagonal matrices in the case where singular vectors are required) whose eigenvalues approximate the extreme eigenvalues of the original matrix. The computational requirements of the classical Lanczos algorithm are modest: only O(nk2)O(nk^{2}) operations and O(k)O(k) matrix-vector multiplications are required to compute kk eigenvectors of an nn-by-nn symmetric matrix. Thus Lanczos methods are well-suited for sparse matrix extreme eigenvalue problems. However, the convergence properties of the classical Lanczos methods are troublesome, and they must be modified to yield useful algorithms [ParlettScott, Parlett, GVL, CullumWill].

This thesis arose from the study of gradient flows applied to the subspace tracking problem as described by ?, and from the study of gradient flows that diagonalize matrices [Brockett:sort]. While the resulting differential equation models are appealing from the perspective of learning theory, it is computationally impractical to implement them on conventional computers. A desire to avoid the “small step” methods found in the integration of gradient flows while retaining their useful optimization properties led to the investigation of “large step” methods on manifolds, analogous to the optimization algorithms on Euclidean space discussed above. A theory of such methods was established, and then applied to the subspace tracking problem, whose homogeneous space structure allows efficient and practical optimization algorithms.

The following contributions are contained within this thesis. In Chapter 2, a geometric framework is provided for a large class of problems in numerical linear algebra. This chapter reviews the natural metric structure of various Lie groups and homogeneous spaces, along with some useful formulae implied by this structure, which will be used throughout the thesis. This geometric framework allows one to solve problems in numerical linear algebra, such as the computation of eigenvalues and eigenvectors, and singular values and singular vectors, with gradient flows on Lie groups and homogeneous spaces.

In Chapter 3 a gradient flow that yields the extreme eigenvalues and corresponding eigenvectors of a symmetric matrix is given, together with a gradient flow that yields the singular value decomposition of an arbitrary matrix. (Functions whose gradient flows yield the extreme singular values and corresponding left singular vectors of an arbitrary matrix are also discussed in Chapter 5.)

Chapter 4 develops aspects of the theory of optimization of differentiable functions defined on Riemannian manifolds. New methods and a new point of view for solving constrained optimization problems are provided. Within this chapter, the usual versions of Newton’s method and the conjugate gradient method are generalized to yield new optimization algorithms on Riemannian manifolds. The method of steepest descent on a Riemannian manifold is first analyzed. Newton’s method on Riemannian manifolds is developed next and a proof of quadratic convergence is given. The conjugate gradient method is in then introduced with a proof of superlinear convergence. Several illustrative examples are offered throughout this chapter. These three algorithms are applied to the Rayleigh quotient defined on the sphere, and the function f(Θ)=trΘTQΘNf(\Theta)=\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N defined on the special orthogonal group. It is shown that Newton’s method applied to the Rayleigh quotient converges cubically, and that this procedure is efficiently approximated by the Rayleigh quotient iteration. The conjugate gradient algorithm applied to the Rayleigh quotient on the sphere yields a new superlinearly convergent algorithm for computing the eigenvector corresponding to the extreme eigenvalue of a symmetric matrix, which requires two matrix-vector multiplications and O(n)O(n) operations per iteration.

Chapter 5 applies the techniques developed in the preceding chapters to the subspace tracking problem of adaptive signal processing. The idea of tracking a principal invariant subspace is reviewed in this context, and it is shown how this problem may be viewed as maximization of the generalized Rayleigh quotient on the so-called Stiefel manifold of matrices with orthonormal columns. An efficient conjugate gradient method that solves this optimization problem is developed next. This algorithm, like Lanczos methods, requires O(nk2)O(nk^{2}) operations per step and O(k)O(k) matrix-vector multiplications. This favorable computational cost is dependent on the homogeneous space structure of the Stiefel manifold; a description of the algorithms implementation is provided. Superlinear convergence of this algorithm to the eigenvectors corresponding to the extreme eigenvalues of a symmetric matrix is assured by results of Chapter 4. This algorithm also has the desirable feature of maintaining the orthonormality of the kk vectors at each step. A similar algorithm for computing the largest left singular vectors corresponding to the extreme singular values of an arbitrary matrix is discussed. Finally, this algorithm is applied to the subspace tracking problem. A new algorithm for subspace tracking is given, which is based upon the conjugate gradient method applied to the generalized Rayleigh quotient. The results of several numerical experiments demonstrating the tracking properties of this algorithm are given.

Chapter 2 Riemannian geometry of Lie groups and homogeneous spaces

Both the analysis and development of optimization algorithms presented in this thesis rely heavily upon the geometry of the space on which optimization problems are posed. This chapter provides a review of pertinent ideas from differential and Riemannian geometry, Lie groups, and homogeneous spaces that will be used throughout the thesis. It may be skipped by those readers familiar with Riemannian geometry. Sections 1 and 2 contain the necessary theoretical background. Section 3 provides formulae specific to the manifolds to be used throughout this thesis, which are derived from the theory contained in the previous sections.

In this section the concepts of Riemannian structures, affine connections, geodesics, parallel translation, and Riemannian connections on a differentiable manifold are reviewed. A background of differentiable manifolds and tensor fields is assumed, e.g., Chapters 1–5 of ? or the introduction of ?. The review follows Helgason’s (?) and Spivak’s (?, Vol. 2) expositions.

Let MM be a C∞C^{\infty} differentiable manifold. Denote the set of C∞C^{\infty} functions on MM by C∞(M)C^{\infty}(M), the tangent plane at pp in MM by TpT_{p} or TpMT_{p}M, and the set of C∞C^{\infty} vector fields on MM by X(M){X}(M).

Let MM be a differentiable manifold. A Riemannian structure on MM is a tensor field gg of type (0,2)(0,2) which for all XX, Y∈X(M)Y\in{X}(M) and p∈Mp\in M satisfies

A Riemannian manifold is a connected differentiable manifold with a Riemannian structure. For every pp in MM, the Riemannian structure gg provides an inner product on TpT_{p} given by the nondegenerate symmetric bilinear form gp ⁣:Tp×Tp→Rg_{p}\colon T_{p}\times T_{p}\to{\bf R}. The notation ⟨X,Y⟩=gp(X,Y)\langle X,Y\rangle=g_{p}(X,Y) and ∥X∥=gp(X,X)1/2\|X\|=g_{p}(X,X)^{1/2}, where XX, Y∈TpY\in T_{p}, is often used. Let t↦\mathchar28941(t)t\mapsto\mathchar 28941\relax(t), t∈[a,b]t\in[a,b], be a curve segment in MM. The length of \mathchar28941\mathchar 28941\relax is defined by the formula

Because MM is connected, any two points pp and qq in MM can be joined by a curve. The infimum of the length of all curve segments joining pp and qq yields a metric on MM called the Riemannian metric and denoted by d(p,q)d(p,q).

Let MM be a Riemannian manifold with Riemannian structure gg and f ⁣:M→Rf\colon M\to{\bf R} a C∞C^{\infty} function on MM. The gradient of ff at pp, denoted by (grad ⁣f)p(\mathop{\rm grad}\nolimits{\!f})_{p}, is the unique vector in TpT_{p} such that dfp(X)=⟨(grad ⁣f)p,X⟩df_{p}(X)=\langle(\mathop{\rm grad}\nolimits{\!f})_{p},X\rangle for all XX in TpT_{p}.

The corresponding vector field grad ⁣f\mathop{\rm grad}\nolimits{\!f} on MM is clearly smooth.

The expression of the preceding ideas using coordinates is often useful. Let MM be an n-n\hbox{-}dimensional Riemannian manifold with Riemannian structure gg, and (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) a coordinate chart on MM. There exist n2n^{2} functions gijg_{ij}, 1≤i,j≤n1\leq i,j\leq n, on UU such that

Clearly gij=gjig_{ij}=g_{ji} for all ii and jj. Because gpg_{p} is nondegenerate for all p∈U⊂Mp\in U\subset M, the symmetric matrix (gij)(g_{ij}) is invertible. The elements of its inverse are denoted by gklg^{kl}, i.e., ∑lgilglj=\mathchar28942ij\sum_{l}g^{il}g_{lj}=\mathchar 28942\relax^{i}{}_{j}, where \mathchar28942ij\mathchar 28942\relax^{i}{}_{j} is the Kronecker delta. Furthermore, given f∈C∞(M)f\in C^{\infty}(M), we have

Therefore, from the definition of grad ⁣f\mathop{\rm grad}\nolimits{\!f} above, we see that

Affine connections

Let MM be a differentiable manifold. An affine connection on MM is a function ∇\nabla which assigns to each vector field X∈X(M)X\in{X}(M) an R{\bf R}-linear map ∇ ⁣X ⁣:X(M)→X(M)\nabla_{\!X}\colon{X}(M)\to{X}(M) which satisfies

for all f ⁣f\!, g∈C∞(M)g\in C^{\infty}(M), XX, Y∈X(M)Y\in{X}(M). The map ∇ ⁣X\nabla_{\!X} may be applied to tensors of arbitrary type. Let ∇\nabla be an affine connection on MM and X∈X(M)X\in{X}(M). Then there exists a unique R{\bf R}-linear map A↦∇ ⁣XAA\mapsto\nabla_{\!X}A of C∞C^{\infty} tensor fields into C∞C^{\infty} tensor fields which satisfies

where f∈C∞(M)f\in C^{\infty}(M), Y∈X(M)Y\in{X}(M), and AA, BB are C∞C^{\infty} tensor fields. If AA is of type (k,l)(k,l), then ∇ ⁣XA\nabla_{\!X}A, called the covariant derivative of AA along XX, is of type (k,l)(k,l), and ∇ ⁣A ⁣:X↦∇ ⁣XA{\nabla\!A}\colon X\mapsto\nabla_{\!X}A, called the covariant differential of AA, is of type (k,l+1)(k,l+1).

The expression of these ideas using coordinates is useful. Let MM be an n-n\hbox{-}dimensional differentiable manifold with affine connection ∇\nabla, and (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) a coordinate chart on MM. These coordinates induce the canonical basis (\mathchar28992/\mathchar28992x1)(\mathchar 28992\relax/\mathchar 28992\relax x^{1}), …, (\mathchar28992/\mathchar28992xn)(\mathchar 28992\relax/\mathchar 28992\relax x^{n}) of X(U){X}(U). There exist n3n^{3} functions Γijk\Gamma_{ij}^{k}, 1≤i,j,k≤n1\leq i,j,k\leq n, on UU such that

The Γijk\Gamma_{ij}^{k} are called the Christoffel symbols of the connection.

The convergence proofs of later chapters require an analysis of the second order terms of real-valued functions near critical points. Consider the second covariant differential ∇∇ ⁣f=∇2 ⁣f\nabla\nabla{\!f}=\nabla^{2}{\!f} of a smooth function f ⁣:M→Rf\colon M\to{\bf R}. If (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) is a coordinate chart on MM, then this (0,2)(0,2) tensor takes the form

Geodesics and parallelism

Let MM be a differentiable manifold with affine connection ∇\nabla. Let \mathchar28941 ⁣:I→M\mathchar 28941\relax\colon I\to M be a smooth curve with tangent vectors X(t)=\mathchar28941˙(t)X(t)=\dot{\mathchar 28941\relax}(t), where I⊂RI\subset{\bf R} is an open interval. The curve \mathchar28941\mathchar 28941\relax is called a geodesic if ∇ ⁣XX=0\nabla_{\!X}X=0 for all t∈It\in I. Let Y(t)∈T\mathchar28941(t)Y(t)\in T_{\mathchar 28941\relax(t)} (t∈It\in I) be a smooth family of tangent vectors defined along \mathchar28941\mathchar 28941\relax. The family Y(t)Y(t) is said to be parallel along \mathchar28941\mathchar 28941\relax if ∇ ⁣XY=0\nabla_{\!X}Y=0 for all t∈It\in I.

For every pp in MM and X≠0X\neq 0 in TpT_{p}, there exists a unique geodesic t\mapsto\mathchar 28941\relax_{\lower 1.0pt\hbox{\scriptstyle X}}(t) such that \mathchar 28941\relax_{\lower 1.0pt\hbox{\scriptstyle X}}(0)=p and \dot{\mathchar 28941\relax}_{\lower 1.0pt\hbox{\scriptstyle X}}(0)=X. We define the exponential map exp⁡p ⁣:Tp→M\exp_{p}\colon T_{p}\to M by \exp_{p}(X)=\mathchar 28941\relax_{\lower 1.0pt\hbox{\scriptstyle X}}(1) for all X∈TpX\in T_{p} such that 11 is in the domain of \mathchar 28941\relax_{\lower 1.0pt\hbox{\scriptstyle X}}. Oftentimes the map exp⁡p\exp_{p} will be denoted by “exp⁡\exp” when the choice of tangent plane is clear, and \mathchar 28941\relax_{\lower 1.0pt\hbox{\scriptstyle X}}(t) will be denoted by exp⁡tX\exp tX. A neighborhood NpN_{p} of pp in MM is a normal neighborhood if Np=exp⁡N0N_{p}=\exp N_{0}, where N0N_{0} is a star-shaped neighborhood of the origin in TpT_{p} and exp⁡\exp maps N0N_{0} diffeomorphically onto NpN_{p}. Normal neighborhoods always exist.

Given a curve \mathchar28941 ⁣:I→M\mathchar 28941\relax\colon I\to M such that \mathchar28941(0)=p\mathchar 28941\relax(0)=p, for each Y∈TpY\in T_{p} there exists a unique family Y(t)∈T\mathchar28941(t)Y(t)\in T_{\mathchar 28941\relax(t)} (t∈It\in I) of tangent vectors parallel along \mathchar28941\mathchar 28941\relax such that Y(0)=YY(0)=Y. If \mathchar28941\mathchar 28941\relax joins the points pp and \mathchar28941(\mathchar28939)=q\mathchar 28941\relax(\mathchar 28939\relax)=q, the parallelism along \mathchar28941\mathchar 28941\relax induces an isomorphism \mathchar28956pq ⁣:Tp→Tq\mathchar 28956\relax_{pq}\colon T_{p}\to T_{q} defined by \mathchar28956pqY=Y(\mathchar28939)\mathchar 28956\relax_{pq}Y=Y(\mathchar 28939\relax). If \mathchar28950∈Tp∗\mathchar 28950\relax\in T_{p}^{*}, define \mathchar28956pq\mathchar28950∈Tq∗\mathchar 28956\relax_{pq}\mathchar 28950\relax\in T_{q}^{*} by the formula (\mathchar28956pq\mathchar28950)(X)=\mathchar28950(\mathchar28956pq−1X)(\mathchar 28956\relax_{pq}\mathchar 28950\relax)(X)=\mathchar 28950\relax(\mathchar 28956\relax_{pq}^{-1}X) for all X∈TqX\in T_{q}. The isomorphism \mathchar28956pq\mathchar 28956\relax_{pq} can be extended in an obvious way to mixed tensor products of arbitrary type.

Let (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) be a coordinate chart on an n-n\hbox{-}dimensional differentiable manifold with affine connection ∇\nabla. Geodesics in UU satisfy the nn second order nonlinear differential equations

For example, geodesics on the imbedded 22-sphere in R3{\bf R}^{3} with respect to the connection given by Γijk=\mathchar28942ijxk\Gamma_{ij}^{k}=\mathchar 28942\relax_{ij}x^{k} (the Levi-Civita connection on the sphere), 1≤i,j,k≤31\leq i,j,k\leq 3, are segments of great circles, as shown in Figure 1. Let t↦\mathchar28941(t)t\mapsto\mathchar 28941\relax(t) be a curve in UU, and let Y=∑kYk (\mathchar28992/\mathchar28992xk)Y=\sum_{k}Y^{k}\,(\mathchar 28992\relax/\mathchar 28992\relax x^{k}) be a vector field parallel along \mathchar28941\mathchar 28941\relax. Then the functions YkY^{k} satisfy the nn first order linear differential equations

For example, if \mathchar28941\mathchar 28941\relax is a segment of a great circle on the sphere, then parallel translation of vectors along \mathchar28941\mathchar 28941\relax with respect to the connection given by Γijk=\mathchar28942ijxk\Gamma_{ij}^{k}=\mathchar 28942\relax_{ij}x^{k} is equivalent to rotating tangent planes along the great circle. The parallel translation of a vector tangent to the north pole around a geodesic triangle on S2S^{2} is illustrated in Figure 1. Note that the tangent vector obtained by this process is different from the original tangent vector.

Parallel translation and covariant differentiation are related in the following way. Let XX be a vector field on MM, and t↦\mathchar28941(t)t\mapsto\mathchar 28941\relax(t) an integral curve of XX. Denote the parallelism along \mathchar28941\mathchar 28941\relax from p=\mathchar28941(0)p=\mathchar 28941\relax(0) to \mathchar28941(h)\mathchar 28941\relax(h), hh small, by \mathchar28956h\mathchar 28956\relax_{h}. Then for an arbitrary tensor field AA on MM,

The covariant differentiation of a vector field YY along a vector field XX is illustrated in Figure 1 at the left.

Riemannian connections

Given a Riemannian structure gg on a differentiable manifold MM, there exists a unique affine connection ∇\nabla on MM, called the Riemannian or Levi-Civita connection, which for all XX, Y∈X(M)Y\in{X}(M) satisfies

Length minimizing curves on MM are geodesics of the Levi-Civita connection. We shall use this connection throughout the thesis. For every p∈Mp\in M, there exists a normal neighborhood Np=exp⁡N0N_{p}=\exp N_{0} of pp such that d(p,exp⁡pX)=∥X∥d(p,\exp_{p}X)=\|X\| for all X∈N0X\in N_{0}, where dd is the Riemannian metric corresponding to gg.

If (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) is a coordinate patch on MM, then the Christoffel symbols Γijk\Gamma_{ij}^{k} of the Levi-Civita connection are related to the functions gijg_{ij} by the formula

By inspection it is seen that Γijk=Γjik\Gamma_{ij}^{k}=\Gamma_{ji}^{k}.

Lie groups and homogeneous spaces

The basic structure of Lie groups and homogeneous spaces is reviewed in this section, which follows Helgason’s (?), Warner’s (?), Cheeger and Ebin’s (?), and Kobayashi and Nomizu’s (?, Chap. 10) expositions.

A Lie group GG is a differentiable manifold and a group such that the map G×G→GG\times G\to G defined by (g,k)↦gk−1(g,k)\mapsto gk^{-1} is C∞C^{\infty}.

The identity in GG will be denoted by ee in the general case, and by II if GG is a matrix group.

A Lie algebra g{g} over R{\bf R} is a vector space over R{\bf R} with a bilinear operation [ , ] ⁣:g×g→g[\,{,}\,]\colon{g}\times{g}\to{g} (called the bracket) such that for all xx, yy, z∈gz\in{g},

Let GG be a Lie group and g∈Gg\in G. Left multiplication by gg is denoted by the map lg ⁣:G→Gl_{g}\colon G\to G, k↦gkk\mapsto gk, and similarly for right multiplication rg ⁣:k↦kgr_{g}\colon k\mapsto kg. Let XX be a vector field on GG. XX is said to be left invariant if for each g∈Gg\in G,

For every element XX in g{g}, there is a unique homomorphism \mathchar28958 ⁣:R→G\mathchar 28958\relax\colon{\bf R}\to G, called the one-parameter subgroup of GG generated by XX, such that \mathchar28958˙(0)=X\dot{\mathchar 28958\relax}(0)=X. Define the exponential map exp⁡ ⁣:g→G\exp\colon{g}\to G by setting exp⁡X=\mathchar28958(1)\exp X=\mathchar 28958\relax(1). The one-parameter subgroup t↦\mathchar28958(t)t\mapsto\mathchar 28958\relax(t) generated by XX is denoted by t↦exp⁡tXt\mapsto\exp tX. For matrix groups, the exponential map corresponds to matrix exponentiation, i.e., exp⁡tX=eXt=I+tX+(t2/2!)X2+⋯ \exp tX=e^{Xt}=I+tX+(t^{2}/2!)X^{2}+\cdots\,. It will be seen in the next section in what sense the exponential map for a Lie group is related to the exponential map for a manifold with an affine connection.

Let GG be a Lie group with Lie algebra g{g}. Consider the action of GG on itself by conjugation, i.e., a ⁣:(g,k)↦gkg−1a\colon(g,k)\mapsto gkg^{-1}, which has a fixed point at the identity. Denote the automorphism k↦gkg−1k\mapsto gkg^{-1} of GG by aga_{g}. Define the adjoint representation Ad ⁣:G→Aut(g)\mathop{\rm Ad}\nolimits\colon G\to\mathord{\rm Aut}({g}) by the map g↦(dag)eg\mapsto(da_{g})_{e}, where Aut(g)\mathord{\rm Aut}({g}) is the group of automorphisms of the Lie algebra g{g}. If GG is a matrix group with g∈Gg\in G and \mathchar28961∈g\mathchar 28961\relax\in{g}, we have Ad(g)(\mathchar28961)=g\mathchar28961g−1\mathop{\rm Ad}\nolimits(g)(\mathchar 28961\relax)=g\mathchar 28961\relax g^{-1}. Furthermore, we denote the differential of Ad\mathop{\rm Ad}\nolimits at the identity by ad\mathop{\rm ad}\nolimits, i.e.,

so that ad ⁣:g→End(g)\mathop{\rm ad}\nolimits\colon{g}\to\mathord{\rm End}({g}) is a map from the Lie algebra g{g} to its vector space of endomorphisms End(g)\mathord{\rm End}({g}). The notation Adg=Ad(g)\mathop{\rm Ad}\nolimits_{g}=\mathop{\rm Ad}\nolimits(g) (g∈Gg\in G) and adX=ad(X)\mathop{\rm ad}\nolimits_{X}=\mathop{\rm ad}\nolimits(X) (X∈gX\in{g}) is often used. It may be verified that adXY=[X,Y]\mathop{\rm ad}\nolimits_{X}Y=[X,Y] for XX and YY in g{g}. If GG is a matrix group, then adXY=XY−YX\mathop{\rm ad}\nolimits_{X}Y=XY-YX. The functions Ad ⁣:G→Aut(g)\mathop{\rm Ad}\nolimits\colon G\to\mathord{\rm Aut}({g}) and ad ⁣:g→End(g)\mathop{\rm ad}\nolimits\colon{g}\to\mathord{\rm End}({g}) are related by

i.e., for X∈gX\in{g}, Adexp⁡X=eadX\mathop{\rm Ad}\nolimits_{\exp X}=e^{\mathop{\rm ad}\nolimits_{X}}.

Let g{g} be a Lie algebra. The Killing form of g{g} is the bilinear form \mathchar28967\mathchar 28967\relax on g×g{g}\times{g} defined by

Homogeneous spaces

Let GG be a Lie group and HH a closed subgroup of GG. Then the (left) coset space G/H={ gH:g∈G }G/H=\{\,gH:g\in G\,\} admits the structure of a differentiable manifold such that the natural projection \mathchar28953 ⁣:G→G/H\mathchar 28953\relax\colon G\to G/H, g↦gHg\mapsto gH, and the action of GG on G/HG/H defined by (g,kH)↦gkH(g,kH)\mapsto gkH are C∞C^{\infty}. The dimension of G/HG/H is given by dim⁡G/H=dim⁡G−dim⁡H\dim G/H=\dim G-\dim H. Define the origin of G/HG/H by o=\mathchar28953(e)o=\mathchar 28953\relax(e).

Let GG be a Lie group and HH a closed subgroup of GG. The differentiable manifold G/HG/H is called a homogeneous space.

Let g{g} and h{h} be the Lie algebras of GG and HH, respectively, and let m{m} be a vector subspace of g{g} such that g=m+h{g}={m}+{h} (direct sum). Then there exists a neighborhood of 0∈m0\in{m} which is mapped homeomorphically onto a neighborhood of the origin o∈G/Ho\in G/H by the mapping \mathchar28953∘exp⁡∣m\mathchar 28953\relax\circ\exp|_{m}. The tangent plane To(G/H)T_{o}(G/H) at the origin can be identified with the vector subspace m{m}.

A Lie transformation group GG acting on a differentiable manifold MM is a Lie group GG which acts on MM (on the left) such that (i) every element g∈Gg\in G induces a diffeomorphism of MM onto itself, denoted by p↦g⋅pp\mapsto g\cdot p or p↦lg(p)p\mapsto l_{g}(p), (ii) the map from G×MG\times M to MM defined by (g,p)↦g⋅p(g,p)\mapsto g\cdot p is C∞C^{\infty}, and (iii) g⋅(k⋅p)=gk⋅pg\cdot(k\cdot p)=gk\cdot p for p∈Mp\in M, gg, k∈Gk\in G (the action is transitive).

For example, the Lie group GG is clearly a Lie transformation group of the homogeneous space G/HG/H.

The action of GG on MM is said to be effective if for any g∈Gg\in G, lg=idl_{g}=\mathop{\rm id}\nolimits on MM implies that g=eg=e. Define the isotropy group HpH_{p} at pp in MM by

The isotropy group at pp is a closed subgroup of GG, and the mapping

Let G/HG/H be a homogeneous space of GG, and \mathchar28953 ⁣:G→G/H\mathchar 28953\relax\colon G\to G/H the natural projection. The tangent plane To(G/H)T_{o}(G/H) at the origin o=\mathchar28953(e)o=\mathchar 28953\relax(e) may be identified with the quotient space g/h{g}/{h}, because for any function f∈C∞(G/H)f\in C^{\infty}(G/H),

where fˉ\bar{f} is the unique lift in C∞(G)C^{\infty}(G) such that fˉ=f∘\mathchar28953\bar{f}=f\circ\mathchar 28953\relax. A tensor field AA on G/HG/H is GG-invariant if and only if AoA_{o} is invariant under the linear isotropy group at oo, thus a computation of the map lh∗ ⁣:To→Tol_{h}{}_{*}\colon T_{o}\to T_{o} is desirable. Let lˉg ⁣:G→G\bar{l}_{g}\colon G\to G and lg ⁣:G/H→G/Hl_{g}\colon G/H\to G/H denote left translation by g∈Gg\in G. Note that

and for any h∈Hh\in H, g∈Gg\in G, \mathchar28953(hg)=\mathchar28953(hgh−1)\mathchar 28953\relax(hg)=\mathchar 28953\relax(hgh^{-1}), i.e.,

where aha_{h} denotes conjugation by hh. Therefore, by applying Equation (2) to Equation (3) and evaluating the differential of both sides at the identity ee, it is seen that

i.e., the action of lh∗l_{h}{}_{*} on ToT_{o} corresponds to the action of Adh\mathop{\rm Ad}\nolimits_{h} on g{g}, which in turn corresponds to the action of Adh\mathop{\rm Ad}\nolimits_{h} on g/h{g}/{h} because h{h} is AdH\mathop{\rm Ad}\nolimits_{H}-invariant.

Let GG be a connected Lie group, HH a closed subgroup of GG, and g{g} and h{h} the Lie algebras of GG and HH, respectively. The homogeneous space G/HG/H is said to be reductive if there exists a vector subspace m{m} of g{g} such that g=m+h{g}={m}+{h} (direct sum), and m{m} is AdH\mathop{\rm Ad}\nolimits_{H}-invariant, i.e., AdH(m)⊂m\mathop{\rm Ad}\nolimits_{H}({m})\subset{m}.

For example, the homogeneous space G/HG/H is reductive if HH is compact. Our interest in reductive homogeneous spaces lies solely with this class of examples; for others, see ? or ?.

Invariant affine connections

Let GG be a Lie transformation group acting on a differentiable manifold MM. An affine connection ∇\nabla on MM is said to be GG-invariant if for all g∈Gg\in G, XX, Y∈X(M)Y\in{X}(M),

Geodesics on GG coincide with one-parameter subgroups if and only if \mathchar28939(X,X)=0\mathchar 28939\relax(X,X)=0 for all X∈gX\in{g}. The classical Cartan-Schouten invariant affine connections on GG correspond to \mathchar28939(X,Y)≡0\mathchar 28939\relax(X,Y)\equiv 0 (the (−)-(-)\hbox{-}connection), \mathchar28939(X,Y)=12[X,Y]\mathchar 28939\relax(X,Y)={\mathchoice{{\textstyle{1\over 2}}}{{\textstyle{1\over 2}}}{{\scriptstyle{1\over 2}}}{{\scriptscriptstyle{1\over 2}}}}[X,Y] (the (0)-(0)\hbox{-}connection), and \mathchar28939(X,Y)=[X,Y]\mathchar 28939\relax(X,Y)=[X,Y] (the (+)-(+)\hbox{-}connection).

Let G/HG/H be a reductive homogeneous space with a fixed decomposition of the Lie algebra g=m+h{g}={m}+{h}, AdH(m)⊂m\mathop{\rm Ad}\nolimits_{H}({m})\subset{m}, and \mathchar28953 ⁣:G→G/H\mathchar 28953\relax\colon G\to G/H the natural projection. Any element X∈gX\in{g} can be uniquely decomposed into the sum of elements in m{m} and h{h}, which will be denoted by XmX_{m} and XhX_{h}, respectively. There is a one-to-one correspondence between invariant affine connections on G/HG/H and the set of bilinear functions \mathchar28939 ⁣:m×m→m\mathchar 28939\relax\colon{m}\times{m}\to{m} which are AdH\mathop{\rm Ad}\nolimits_{H}-invariant, i.e., Adh⋅\mathchar28939(X,Y)=\mathchar28939(AdhX,AdhY)\mathop{\rm Ad}\nolimits_{h}\cdot\mathchar 28939\relax(X,Y)=\mathchar 28939\relax(\mathop{\rm Ad}\nolimits_{h}X,\mathop{\rm Ad}\nolimits_{h}Y) for all XX, Y∈mY\in{m}, h∈Hh\in H.

Let t↦exp⁡tXt\mapsto\exp tX be the one-parameter subgroup generated by XX in m{m}, and denote the curve t↦\mathchar28953(exp⁡tX)t\mapsto\mathchar 28953\relax(\exp tX) in G/HG/H by t↦\mathchar28941X(t)t\mapsto\mathchar 28941\relax_{X}(t). In addition to the requirement that the connection be complete, consider the following conditions on the invariant affine connection on G/HG/H.

(a)(\rm a) The curve \mathchar28941X\mathchar 28941\relax_{X} is a geodesic in G/HG/H.

(b)(\rm b) Parallel translation of the tangent vector Y∈ToY\in T_{o} corresponding to y∈my\in{m} along the curve \mathchar28941X\mathchar 28941\relax_{X} is given by the differential of exp⁡tX\exp tX acting on G/HG/H.

Nomizu (?) established the following results concerning invariant affine connections on reductive homogeneous spaces. Recall that the torsion of a connection ∇\nabla on a manifold MM is a tensor TT of type (1,2)(1,2) defined by T(X,Y)=∇ ⁣XY−∇ ⁣YX−[X,Y]T(X,Y)=\nabla_{\!X}Y-\nabla_{\!Y}X-[X,Y], XX, Y∈X(M)Y\in{X}(M). The connection is said to be torsion-free if T≡0T\equiv 0.

On a reductive homogeneous space G/HG/H, there exists a unique invariant connection which is torsion-free and satisfies (a)(\rm a). It is defined by the function \mathchar28939(X,Y)=12[X,Y]m\mathchar 28939\relax(X,Y)={\mathchoice{{\textstyle{1\over 2}}}{{\textstyle{1\over 2}}}{{\scriptstyle{1\over 2}}}{{\scriptscriptstyle{1\over 2}}}}[X,Y]_{m} on m×m{m}\times{m}.

This connection is called the canonical torsion-free connection on G/HG/H with respect to the fixed decomposition g=m+h{g}={m}+{h}. In the case of a Lie group, it is the Cartan-Schouten (0)-(0)\hbox{-}connection.

On a reductive homogeneous space G/HG/H, there exists a unique invariant connection which satisfies (b)(\rm b). It is defined by the function \mathchar28939(X,Y)≡0\mathchar 28939\relax(X,Y)\equiv 0 on m×m{m}\times{m}.

This connection is called the canonical connection on G/HG/H with respect to the fixed decomposition g=m+h{g}={m}+{h}. In the case of a Lie group, it is the Cartan-Schouten (−)-(-)\hbox{-}connection.

If G/HG/H is a symmetric homogeneous space, then these two connections coincide. (See ?, ?, or ? for background on symmetric spaces.) From the point of view of the applications we have in mind, the choice of the canonical torsion-free connection on G/HG/H facilitates the computation of geodesics on G/HG/H. The choice of the canonical connection on G/HG/H facilitates the computation of parallel translation along curves of the form t↦\mathchar28953(exp⁡tX)t\mapsto\mathchar 28953\relax(\exp tX). In the case of a symmetric space, the canonical connection allows both the computation of geodesics and parallel translation along geodesics by conditions (a)(\rm a) and (b)(\rm b) above.

Invariant Riemannian metrics

Let GG be a Lie transformation group acting on a differentiable manifold MM. A tensor field AA on MM is said to be GG-invariant if for all g∈Gg\in G, p∈Mp\in M,

In particular, a Riemannian structure gg on MM is said to be (left) invariant if it is GG-invariant as a tensor field on G/HG/H. That is,

for all p∈Mp\in M, k∈Gk\in G, XX, Y∈TpY\in T_{p}. In the case of a Lie group GG, a bi-invariant metric on GG is a Riemannian structure on GG that is invariant with respect to the left and right action of GG on itself.

There may not exist an invariant Riemannian metric on the homogeneous space G/HG/H; however, ? provide a proposition that describes the invariant metric structure of all homogeneous spaces considered in this thesis. The following proposition paraphrases Proposition 3.16 of Cheeger and Ebin.

(1)(1) The set of GG-invariant metrics on G/HG/H is naturally isomorphic to the set of bilinear forms ⟨ , ⟩\langle\,{,}\,\rangle on g/h×g/h{g}/{h}\times{g}/{h} which are AdH\mathop{\rm Ad}\nolimits_{H}-invariant.

(2)(2) If HH is connected, the bilinear form ⟨ , ⟩\langle\,{,}\,\rangle on g/h×g/h{g}/{h}\times{g}/{h} is AdH\mathop{\rm Ad}\nolimits_{H}-invariant if and only if for all \mathchar28945∈h\mathchar 28945\relax\in{h}, ad\mathchar28945\mathop{\rm ad}\nolimits_{\mathchar 28945\relax} is skew-symmetric with respect to ⟨ , ⟩\langle\,{,}\,\rangle.

(3)(3) If GG acts effectively on G/HG/H, then G/HG/H admits an invariant metric if and only if the closure of the group AdH\mathop{\rm Ad}\nolimits_{H} in Aut(g)\mathord{\rm Aut}({g}), the group of automorphisms of g{g}, is compact.

(4)(4) If GG acts effectively on G/HG/H and G/HG/H is reductive with the fixed decomposition g=m+h{g}={m}+{h}, then there is a one-to-one correspondence between GG-invariant metrics on G/HG/H and AdH\mathop{\rm Ad}\nolimits_{H}-invariant bilinear forms on m×m{m}\times{m}. If G/HG/H admits a left invariant metric, then GG admits a left invariant metric which is right invariant with respect to HH; the restriction of this metric to HH is bi-invariant.

Setting m=h⊥{m}={h}^{\perp} provides such a decomposition.

(5)(5) If HH is connected, then the condition AdH(m)⊂m\mathop{\rm Ad}\nolimits_{H}({m})\subset{m} is equivalent to [h,m]⊂m[{h},{m}]\subset{m}.

Let GG be a Lie group which admits a bi-invariant metric ⟨ , ⟩\langle\,{,}\,\rangle. Then there is a corresponding left invariant metric, called the normal metric, on the homogeneous space G/HG/H with fixed decomposition g=m+h{g}={m}+{h}, m=h⊥{m}={h}^{\perp}, arising from the restriction of ⟨ , ⟩\langle\,{,}\,\rangle to m{m}. For example, let GG be a compact semisimple Lie group with Lie algebra g{g}. The Killing form \mathchar28967\mathchar 28967\relax of g{g} is negative definite; therefore, −\mathchar28967-\mathchar 28967\relax naturally defines an invariant Riemannian metric on GG. The Levi-Civita connection of this metric is the (0)-(0)\hbox{-}connection of GG. Let HH be a closed subgroup of GG such that GG acts effectively on G/HG/H. Then setting m=h⊥{m}={h}^{\perp} with respect to −\mathchar28967-\mathchar 28967\relax yields a subspace m{m} of g{g} such that AdH(m)⊂m\mathop{\rm Ad}\nolimits_{H}({m})\subset{m}, i.e., G/HG/H is a reductive homogeneous space. Furthermore, −\mathchar28967-\mathchar 28967\relax restricted to m{m} yields an AdH\mathop{\rm Ad}\nolimits_{H}-invariant bilinear form on m×m{m}\times{m} and therefore yields a left invariant Riemannian metric on G/HG/H. The Levi-Civita connection of this metric is the canonical torsion-free connection on G/HG/H.

Formulae for geodesics and parallel translation along geodesics

Let GG be a Lie group with the (0)-(0)\hbox{-}connection, g{g} the Lie algebra of GG, and XX a left invariant vector field on GG corresponding to x∈gx\in{g}. Then the unique geodesic in GG emanating from gg in direction XgX_{g} is given by the curve t↦\mathchar28941(t)t\mapsto\mathchar 28941\relax(t), where

Let t↦\mathchar28941x(t)t\mapsto\mathchar 28941\relax_{x}(t) be the geodesic in GG emanating from the identity ee with direction x∈gx\in{g}, and let Y(t)Y(t) be the parallel translation of y∈gy\in{g} from ee to exp⁡tX\exp tX along \mathchar28941X\mathchar 28941\relax_{X}. Then

where ex=exp⁡xe^{x}=\exp x. For computations involving vector fields on GG, it is oftentimes convenient to represent a tangent vector XgX_{g} in TgGT_{g}G (g∈Gg\in G) by a corresponding element xgx_{g} in g{g} defined by the equation Xg=lg∗xgX_{g}=l_{g}{}_{*}x_{g}. Letting y(t)∈gy(t)\in{g} correspond to Y(t)∈TextGY(t)\in T_{e^{xt}}G in this way, it is seen that

Let GG be a Lie group with bi-invariant metric gg also denoted by ⟨ , ⟩\langle\,{,}\,\rangle, and G/HG/H a reductive homogeneous space with the normal metric and the fixed decomposition g=m+h{g}={m}+{h}, m=h⊥{m}={h}^{\perp}. Denote the natural projection from GG onto G/HG/H by \mathchar28953\mathchar 28953\relax and let o=\mathchar28953(e)o=\mathchar 28953\relax(e) be the origin in G/HG/H. We wish to compute a formula for parallel translation along geodesics in G/HG/H. To do this, we view GG as principal fiber bundle over G/HG/H with structure group HH, i.e., we consider the fiber bundle G(G/H,H)G(G/H,H) with its canonical torsion-free connection [KobayashiandNomizu, Chap. 1, § 5; Chap. 2].

For every element x∈mx\in{m}, there is a unique element Xo∈To(G/H)X_{o}\in T_{o}(G/H) given by Equation (4). For tt small enough, define the vector field XX along the geodesic t↦exp⁡tx⋅ot\mapsto\exp tx\cdot o in G/HG/H by setting Xext=lext∗XoX_{e^{xt}}=l_{e^{xt}}{}_{*}X_{o}. There is a unique horizontal lift Xˉ∈X(G)\bar{X}\in{X}(G) of a smooth extension of XX. Let YY be a parallel vector field along the geodesic t↦exp⁡(tx)⋅ot\mapsto\exp(tx)\cdot o and denote YY evaluated at the point exp⁡(tx)⋅o\exp(tx)\cdot o by Y(t)Y(t). For each t∈Rt\in{\bf R}, define Yo(t)∈To(G/H)Y_{o}(t)\in T_{o}(G/H) and y(t)∈my(t)\in{m} by the equation

By the definition of the Levi-Civita connection, we have

The vector field YY is parallel along the geodesic; therefore,

by definition. Computing the rightmost term of Equation (8), we find that

Combining Equations (8), (9), (10), and (11), we have proved:

Let M=G/HM=G/H be a reductive homogeneous space which admits an invariant metric ⟨ , ⟩\langle\,{,}\,\rangle and which has the fixed decomposition g=m+h{g}={m}+{h}, m=h⊥{m}={h}^{\perp}. Denote the origin of MM by o=\mathchar28953(e)o=\mathchar 28953\relax(e), where \mathchar28953 ⁣:G→M\mathchar 28953\relax\colon G\to M is the natural projection. Let xx and y0y_{0} be vectors in m{m} corresponding to the tangent vectors XX and Y0Y_{0} in To(G/H)T_{o}(G/H). The parallel translation Y(t)Y(t) of Y0Y_{0} along the geodesic t↦exp⁡otX=ext⋅ot\mapsto\exp_{o}tX=e^{xt}\cdot o in MM is given in the following way. Define Yo(t)∈To(G/H)Y_{o}(t)\in T_{o}(G/H) by the equation Y(t)=lext∗Yo(t)Y(t)=l_{e^{xt}}{}_{*}Y_{o}(t), and let y(t)∈my(t)\in{m} correspond to Yo(t)∈To(G/H)Y_{o}(t)\in T_{o}(G/H). The vector y(t)y(t) satisfies the ordinary linear differential equation

In the case of a Lie group M=GM=G, we may take m=g{m}={g}; thus Equation (12) reduces to

whose solution is given by Equation (7). In the case where G/HG/H is a symmetric space, the decomposition g=m+h{g}={m}+{h} satisfies the properties

Therefore y˙≡0\dot{y}\equiv 0 because the m{m}-component of [x,y][x,y] vanishes. Thus y(t)≡y0y(t)\equiv y_{0}.

Examples

The general linear group \elvbitG ⁣L(n)\mathord{\elvbit G\!L}({n}) is the set of all real nn-by-nn invertible matrices. \elvbitG ⁣L(n)\mathord{\elvbit G\!L}({n}) is easily verified to be a Lie group of dimension n2n^{2} whose Lie algebra gl(n)\mathord{gl}({n}) is the vector space of all nn-by-nn matrices with bracket [X,Y]=XY−YX[X,Y]=XY-YX. The orthogonal group \elvibO(n)\mathord{\elvib O}({n}) is the subgroup of \elvbitG ⁣L(n)\mathord{\elvbit G\!L}({n}) given by

It is well-known that \elvibO(n)\mathord{\elvib O}({n}) is a Lie group of dimension n(n−1)/2n(n-1)/2 with two connected components. The identity component of \elvibO(n)\mathord{\elvib O}({n}) is called the special orthogonal group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}), which is defined by

The Lie algebra of \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}), denoted by so(n)\mathord{so}({n}), is the set of all nn-by-nn skew-symmetric matrices, i.e.,

The orthogonal group is the group of all isometries of the vector space Rn{\bf R}^{n} (endowed with the standard inner product ⟨x,y⟩=xTy=∑ixiyi\langle x,y\rangle=x^{\scriptscriptstyle\rm T}y=\sum_{i}x^{i}y^{i}) which fix the origin. The special orthogonal group is the group of all orientation preserving isometries of Rn{\bf R}^{n} which fix the origin.

The orthogonal group \elvibO(n)\mathord{\elvib O}({n}) is compact, and therefore admits a bi-invariant metric, which is given by the negative of the Killing form of so(n)\mathord{so}({n}). A computation shows that for XX, Y∈so(n)Y\in\mathord{so}({n}),

where the first trace is the trace of endomorphisms of so(n)\mathord{so}({n}), and the second trace is the trace of nn-by-nn matrices. In case n=2n=2, take the bilinear form (X,Y)↦trXY(X,Y)\mapsto\mathop{\rm tr}\nolimits XY. Furthermore, \elvibO(n)\mathord{\elvib O}({n}) is semisimple, therefore −\mathchar28967-\mathchar 28967\relax is positive definite and thus defines a bi-invariant metric on \elvibO(n)\mathord{\elvib O}({n}). This is the natural bi-invariant metric on \elvibO(n)\mathord{\elvib O}({n}).

The Levi-Civita connection of this metric is the (0)-(0)\hbox{-}connection. The unique geodesic in \elvibO(n)\mathord{\elvib O}({n}) emanating from the identity II in direction X∈so(n)X\in\mathord{so}({n}) is given by the formula

where eXt=I+tX+(t2/2!)X2+⋯e^{Xt}=I+tX+(t^{2}/2!)X^{2}+\cdots denotes matrix exponentiation of XX. Because the (0)-(0)\hbox{-}connection is invariant, geodesics anywhere on \elvibO(n)\mathord{\elvib O}({n}) may be obtained by left translation of geodesics emanating from the identity. The parallel translation Y(t)Y(t) of a tangent vector Y0∈so(n)Y_{0}\in\mathord{so}({n}) along the geodesic t↦eXtt\mapsto e^{Xt} is given by the formula

where Y(t)∈TextY(t)\in T_{e^{xt}} corresponds to Y0(t)∈so(n)Y_{0}(t)\in\mathord{so}({n}) via left translation by eXte^{Xt}, i.e., Y(t)=eXtY0(t)Y(t)=e^{Xt}Y_{0}(t). This formula may be used to compute the parallel translation along any geodesic in \elvibO(n)\mathord{\elvib O}({n}) by the invariance of the canonical connection. Thus both geodesics in \elvibO(n)\mathord{\elvib O}({n}) and parallel translation along geodesics in \elvibO(n)\mathord{\elvib O}({n}) may be computed via matrix exponentiation of skew-symmetric matrices, for which there exist stable efficient algorithms (Ward & Gray 1978a, 1978b).

The sphere

Endow Rn{\bf R}^{n} with the standard inner product ⟨x,y⟩=xTy=∑ixiyi\langle x,y\rangle=x^{\scriptscriptstyle\rm T}y=\sum_{i}x^{i}y^{i}. The (n−1)(n-1)-sphere Sn−1S^{n-1} is an imbedded manifold in Rn{\bf R}^{n} defined by

The standard inner product on Rn{\bf R}^{n} induces a Riemannian metric on Sn−1S^{n-1}. As is well-known, geodesics on the sphere are great circles and parallel translation along a geodesic is equivalent to rotating the tangent plane along the corresponding great circle. The tangent plane of the sphere at xx in Sn−1S^{n-1} is characterized by

Let x∈Sn−1x\in S^{n-1}, and let h∈Txh\in T_{x} be any tangent vector at xx having unit length, i.e., hTh=1h^{\scriptscriptstyle\rm T}h=1, and v∈Txv\in T_{x} any tangent vector. Then the unique geodesic in Sn−1S^{n-1} emanating from xx in direction hh, the parallel translation of hh along this geodesic, and the parallel translation of vv along this geodesic are given by the equations

where \mathchar28956\mathchar 28956\relax is the parallelism along the geodesic t↦exp⁡tht\mapsto\exp th.

The special orthogonal group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) is a Lie transformation group of the sphere Sn−1S^{n-1}. At any point on the sphere, say (1,0,…,0)(1,0,\ldots,0), there is a closed subgroup \elvbitS ⁣O(n−1)\mathord{\elvbit S\!O}({n-1}) of \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) that fixes this point. Therefore, we may make the identification

In fact, the homogeneous space \elvbitS ⁣O(n)/\elvbitS ⁣O(n−1)\mathord{\elvbit S\!O}({n})/\mathord{\elvbit S\!O}({n-1}) is a symmetric space. We do not use the homogeneous space structure of the sphere explicitly in this thesis, although the sphere is a special case in the next example to be consider. The symmetric space structure of the sphere is described by ?.

The Stiefel manifold

The compact Stiefel manifold Vn,k{V_{n,k}} is defined to be the set of all real nn-by-kk matrices, k≤nk\leq n, with orthonormal columns, i.e.,

Note that Vn,n=\elvibO(n){V_{n,n}}=\mathord{\elvib O}({n}) and Vn,1=Sn−1{V_{n,1}}=S^{n-1}. The orthogonal group \elvibO(n)\mathord{\elvib O}({n}) is naturally a Lie transformation group of Vn,k{V_{n,k}} where the group action is given by matrix multiplication on the left, i.e., (Θ,U)↦ΘU(\Theta,U)\mapsto\Theta U. Fix the origin o=(I0)o=\bigl({I\atop 0}\bigr) in Vn,k{V_{n,k}}. The isotropy group HH of this action at the point oo is the closed subgroup

Thus the Stiefel manifold Vn,k{V_{n,k}} may be identified with the homogeneous space given by

which is a differentiable manifold of dimension k(k−1)/2+(n−k)kk(k-1)/2+(n-k)k.

For notational convenience, set M=Vn,kM={V_{n,k}}, G=\elvibO(n)G=\mathord{\elvib O}({n}), and H=\elvibO(n−k)H=\mathord{\elvib O}({n-k}) the isotropy group at o=(I0)o=\bigl({I\atop 0}\bigr) in MM. The Lie group GG has a bi-invariant metric, and acts transitively and effectively on MM; therefore, the homogeneous space G/HG/H is reductive with the fixed decomposition g=m+h{g}={m}+{h}, where

is the Lie algebra of HH, and m=h⊥{m}={h}^{\perp} is the vector subspace

Let HpH_{p} denote the isotropy group of an arbitrary point p∈Mp\in M, and let gg be a coset representative of p=g⋅op=g\cdot o. Then, as seen above, Hp=gHog−1H_{p}=gH_{o}g^{-1}. We identify tangent vectors in TpMT_{p}M with elements of m{m} in the following way. Let hp{h}_{p} denote the Lie algebra of HpH_{p}, and set mp=hp⊥{m}_{p}={h}_{p}^{\perp}. Then we have the decomposition g=mp+hp{g}={m}_{p}+{h}_{p} (direct sum). Clearly,

An element xx in m{m} corresponds to an element xpx_{p} in mp{m}_{p} by the equation xp=Adg(x)x_{p}=\mathop{\rm Ad}\nolimits_{g}(x); the element xpx_{p} induces a tangent vector XX in TpMT_{p}M by the equation X ⁣f=(d/dt)t=0f(expt⋅p)X{\!f}=(d/dt)_{t=0}f(e^{x_{p}t}\cdot p) for any ff in C∞(M)C^{\infty}(M). Combining these ideas, it is seen that XX is defined by

It is important to note that this identification of elements x∈mx\in{m} with tangent vectors X∈TpMX\in T_{p}M depends upon the choice of coset representative gg. The reason for making this identification will be clear when we consider in Chapter 5, Section 2, the computational aspects of computing geodesics in Vn,k{V_{n,k}}.

The negative of the Killing form of g{g} restricted to m{m} yields an invariant Riemannian metric on MM. The Levi-Civita connection of this metric coincides with the canonical torsion-free affine connection of G/HG/H. Let pp be a point in MM, gg a coset representative of pp such that p=g⋅op=g\cdot o, and XX a tangent vector in TpMT_{p}M corresponding to the element xx in m{m} as described in the preceding paragraph. Then the unique geodesic emanating from pp in direction XX is given by

Thus geodesics in Vn,k{V_{n,k}} may be computed by matrix exponentiation of elements in m{m}. However, the Stiefel manifold is not a symmetric space, so parallel translation along geodesics may not be computed as easily as in the previous examples. Indeed, partition any element xx in m{m} as

The parallel translation of a tangent vector in ToMT_{o}M corresponding to y0∈my_{0}\in{m} along the geodesic t↦ext⋅ot\mapsto e^{xt}\cdot o is given by Equation (12). In the case of the Stiefel manifold, and after rescaling the parameter tt by −1/2-1/2, this equation becomes the pair coupled linear differential equations

In the case k=nk=n, i.e., Vn,n=\elvibO(n){V_{n,n}}=\mathord{\elvib O}({n}), the linear operator y↦[x,y]y\mapsto[x,y] of so(n)\mathord{so}({n}) onto itself has eigenvalues \mathchar28949i−\mathchar28949j\mathchar 28949\relax_{i}-\mathchar 28949\relax_{j}, 1≤i,j≤n1\leq i,j\leq n, where the \mathchar28949i\mathchar 28949\relax_{i} are the eigenvalues of the skew-symmetric matrix xx. Thus the differential equation in (16) has the relatively simple solution given by Equation (15). In the case k=1k=1, i.e., Vn,1=Sn−1{V_{n,1}}=S^{n-1}, the linear operator y↦[x,y]my\mapsto[x,y]_{m} of m{m} onto itself is identically zero, thus the differential equation of (16) also has a simple solution. In all other cases where Vn,k{V_{n,k}} is not a symmetric case, i.e., k≠nk\neq n or 11, the solution to the differential equation of (16) may be obtained by exponentiating the linear operator y↦[x,y]my\mapsto[x,y]_{m}, which is skew-symmetric with respect to the Killing form of g{g} restricted to m{m}. However, this exponentiation corresponds to the problem of computing the matrix exponential of a (k(k−1)/2+(n−k)k)\bigl(k(k-1)/2+(n-k)k\bigr)-by-(k(k−1)/2+(n−k)k)\bigl(k(k-1)/2+(n-k)k\bigr) skew-symmetric matrix, which is computationally much more expensive than computing the matrix exponential of an nn-by-nn skew-symmetric matrix as in the case Vn,n=\elvibO(n){V_{n,n}}=\mathord{\elvib O}({n}).

Chapter 3 Gradient flows on Lie groups and homogeneous spaces

To develop a theory of optimization on smooth manifolds, it is natural to begin with a study of gradient flows, which provide local information about the direction of greatest increase or decrease of a real-valued function defined on the manifold. The study of gradient flows is also desirable from the perspective of applications because we will later apply optimization theory to the problem of principal component analysis, which may be expressed as a smooth optimization problem. This approach has received wide attention in the fields of adaptive signal processing [WidrowStearns, Schmidt, RoyKailath, Larimore, Fuhrmann] and neural networks (Oja 1982, 1989; Bourland & Kamp 1988; Baldi & Hornik 1989; Rubner & Tavan 1989; Rubner & Schulten 1990), where the problem of tracking a principal invariant subspace is encountered [Brockett:subspace].

Let MM be a Riemannian manifold with Riemannian structure gg, and f ⁣:M→Rf\colon M\to{\bf R} a smooth function on MM. Then the gradient of ff, denoted by grad ⁣f\mathop{\rm grad}\nolimits{\!f}, is a smooth vector field on MM and the one-parameter groups of diffeomorphisms generated by grad ⁣f\mathop{\rm grad}\nolimits{\!f} are called the gradient flows of ff. In this chapter we will consider a variety of problems whose solutions correspond to the stable critical points of the gradient of a function, i.e., the problems will be restated as local optimization problems on a manifold. These optimization problems will then be solved by computing an integral curve of the gradient. As our concern will be principal component analysis, we shall consider the algebraic task of computing the eigenvalues and eigenvectors of a symmetric matrix, and the singular values and singular vectors of an arbitrary matrix. Of course, efficient algorithms already exist to solve these eigenvalue problems and the methods described within this chapter—integrating differential equations on Lie groups and homogeneous spaces—are not in the least way competetive with standard techniques. Our interest in gradient flows to solve the problems in numerical linear algebra arises in part from the intent to illuminate and provide a framework for the practical large step optimization algorithms that will appear in Chapter 4. There is also a general interest in studying the class of problems that may be solved via dynamical systems [Brockett:subspace, Leonid, Chu:grad].

From the perspective of optimization theory, there is a very natural setting for the symmetric eigenvalue problem and the singular value problem. Indeed, finding the eigenvalues of a symmetric matrix may be posed as an optimization problem [Wilkinson, GVL]. Let QQ be an nn-by-nn symmetric matrix. The largest (smallest) eigenvalue of QQ is the maximum (resp., minimum) value taken by the Rayleigh quotient xTQx/xTxx^{\scriptscriptstyle\rm T}Qx/x^{\scriptscriptstyle\rm T}x over all vectors x≠0x\neq 0 in Rn{\bf R}^{n}. The Courant-Fisher minimax characterization describes the general case. Denote the kkth largest eigenvalue of QQ by \mathchar28949k\mathchar 28949\relax_{k}, and let S⊂RnS\subset{\bf R}^{n} be a vector subspace. Then for k=1k=1, …, nn,

The situation for the singular value problem is similar. Let KK be an mm-by-nn matrix, S⊂RnS\subset{\bf R}^{n} and T⊂RmT\subset{\bf R}^{m} vector subspaces, and denote the kkth largest singular value of KK by \mathchar28955k\mathchar 28955\relax_{k}. Then by Theorem 8.3-1 of ?, for k=1k=1, …, min⁡(m,n)\min(m,n),

Several practical algorithms for the eigenvalue problem, specifically Jacobi methods and Lanczos methods, can be developed on the basis of such optimization requirements. Thus we see that the eigenvalue problem and singular value problems can be viewed as optimization problems on the manifold of kk-planes in Rn{\bf R}^{n}, i.e., the Grassmann manifold Gn,k{G_{n,k}}. Although this particular minimax characterization and manifold will not be used within this chapter, several equivalent optimization problems will be investigated.

This section briefly describes pertinent elements of the work of Brockett (?, ?), who provides a gradient flow on the special orthogonal group, or under a change of variables, on the space of symmetric matrices with fixed spectrum. This material is covered to motivate some contributions of this thesis that will appear in subsequent sections, and to illustrate some techniques that will be used throughout the thesis.

Therefore, taking c(t)=ΘeΩtc(t)=\Theta e^{\Omega t} and setting H=ΘTQΘH=\Theta^{\scriptscriptstyle\rm T}Q\Theta, we have

The expansion AdeXt(Y)=etadX⋅Y=Y+tadXY+(t2/2!)adX2Y+⋯\mathop{\rm Ad}\nolimits_{e^{Xt}}(Y)=e^{t\mathop{\rm ad}\nolimits_{X}}\cdot Y=Y+t\mathop{\rm ad}\nolimits_{X}Y+(t^{2}/2!)\mathop{\rm ad}\nolimits^{2}_{X}Y+\cdots and the identity trABC=trBCA=trCAB\mathop{\rm tr}\nolimits ABC=\mathop{\rm tr}\nolimits BCA=\mathop{\rm tr}\nolimits CAB are used in this chain of equalities. Equivalently, we may also use the fact that with respect to the Killing form on so(n)\mathord{so}({n}), ⟨adxy,z⟩=−⟨y,adxz⟩\langle\mathop{\rm ad}\nolimits_{x}y,z\rangle=-\langle y,\mathop{\rm ad}\nolimits_{x}z\rangle, following Brockett (?). From the definition of the gradient, i.e. dfp(X)=⟨(grad ⁣f)p,X⟩df_{p}(X)=\langle(\mathop{\rm grad}\nolimits{\!f})_{p},X\rangle for all X∈TpX\in T_{p}, we see that with respect to the natural invariant metric on \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) the gradient of ff is given by

Let \elvibS\elvib\mathchar28949\mathord{\elvib S}_{\elvib\mathchar 28949\relax} denote the set of real symmetric matrices with the fixed set of eigenvalues \elvib\mathchar28949={\mathchar289491,…,\mathchar28949n}{\elvib\mathchar 28949\relax}=\{\mathchar 28949\relax_{1},\ldots,\mathchar 28949\relax_{n}\}. If the eigenvalues are distinct, then this set is a C∞C^{\infty} differentiable manifold of dimension n(n−1)/2n(n-1)/2. To see why this is so, observe that the Lie group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) acts effectively and transitively on \elvibS\elvib\mathchar28949\mathord{\elvib S}_{\elvib\mathchar 28949\relax} by the action (\mathchar28946,s)↦\mathchar28946s\mathchar28946−1(\mathchar 28946\relax,s)\mapsto\mathchar 28946\relax s\mathchar 28946\relax^{-1}. If the eigenvalues \elvib\mathchar28949={\mathchar289491,…,\mathchar28949n}{\elvib\mathchar 28949\relax}=\{\mathchar 28949\relax_{1},\ldots,\mathchar 28949\relax_{n}\} are distinct, the isotropy group of this action at the point diag(\mathchar289491,…,\mathchar28949n)\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{1},\ldots,\mathchar 28949\relax_{n}) is the discrete subgroup diag(±1,…,±1)\mathop{\rm diag}\nolimits(\pm 1,\ldots,\pm 1), which we denote by DD. Therefore, we may make the natural identification \elvibS\elvib\mathchar28949≅\elvbitS ⁣O(n)/D\mathord{\elvib S}_{\elvib\mathchar 28949\relax}\cong\mathord{\elvbit S\!O}({n})/D. Thus the manifold \elvibS\elvib\mathchar28949\mathord{\elvib S}_{\elvib\mathchar 28949\relax} inherits a Riemannian structure from the natural invariant structure on \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}).

The so-called double bracket equation, also known as Brockett’s equation, can be obtained from Equation (1) by making the change of variables

Differentiating both sides of Equation (2) and rearranging terms yields the isospectral flow

Remarkably, Equation (3) is equivalent to a Toda flow in the case where HH is tridiagonal and N=diag(1,…,n)N=\mathop{\rm diag}\nolimits(1,\ldots,n) (Bloch 1990; Bloch et al. 1990, 1992); therefore, it is an example of a flow that is both Hamiltonian and gradient.

The fixed points of Equations (1) and (3) may be computed in a straightforward way. Consider the function H↦trHNH\mapsto\mathop{\rm tr}\nolimits HN on the set of real symmetric matrices with fixed spectrum, where NN is a real diagonal matrix with distinct diagonal entries. Computing as above, we see that

This derivative is nonnegative and bounded from above because the set \elvibS\elvib\mathchar28949\mathord{\elvib S}_{\elvib\mathchar 28949\relax} is compact. Therefore, trHN\mathop{\rm tr}\nolimits HN has a limit and its derivative approaches zero as

Therefore, HH approaches a diagonal matrix with the prescribed eigenvalues along its diagonal, i.e., H=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(n))H=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(n)}) for some permutation \mathchar28953\mathchar 28953\relax of the integers 11, …, nn.

Inspecting the second order terms of trHN\mathop{\rm tr}\nolimits HN at a critical point H=diag(\mathchar28949\mathchar28953(1),…,\penalty\mathchar28949\mathchar28953(n))H=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\penalty\mathchar 28949\relax_{\mathchar 28953\relax(n)}) will show which of these n!n! points are asymptotically stable. Let HH be the parameterized matrix (ΘeΩ\mathchar28943)TQ(ΘeΩ\mathchar28943)(\Theta e^{\Omega\mathchar 28943\relax})^{\scriptscriptstyle\rm T}Q(\Theta e^{\Omega\mathchar 28943\relax}), where ΘTQΘ=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(n))\Theta^{\scriptscriptstyle\rm T}Q\Theta=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(n)}) and Ω∈so(n)\Omega\in\mathord{so}({n}). The second order terms of trHN\mathop{\rm tr}\nolimits HN are

This quadratic form is negative (positive) definite if and only if the sets {\mathchar28949i}\{\mathchar 28949\relax_{i}\} and {nii}\{n_{ii}\} are similarly (resp., oppositely) ordered. Therefore, of the n!n! critical points of Equation (3), one is a sink, one is a source, and the remainder are saddle points. Of the 2nn!2^{n}n! critical points of Equation (1), 2n2^{n} are sinks, 2n2^{n} are sources, and the remainder are saddle points.

Equations (1) and (3) play a role in the study of interior point methods for linear programming [Leonid] and the study of continuous versions of the QR algorithm [Lagarias, WatkinsElsner:laa], but this work will not be discussed here.

The extreme eigenvalues of a matrix

In the previous section an optimization problem was considered whose solution corresponds to the complete eigenvalue decomposition of a symmetric matrix. However, oftentimes only a few eigenvalues and eigenvectors are required. If given an nn-by-nn symmetric matrix QQ with distinct eigenvalues, the closest rank kk symmetric matrix is desired, this is determined by the sum ∑\mathchar28949ixiTxiT\sum\mathchar 28949\relax_{i}x_{i}^{\vphantom{{\scriptscriptstyle\rm T}}}x_{i}^{\scriptscriptstyle\rm T}, i=1i=1, …, kk, where \mathchar28949i\mathchar 28949\relax_{i} is the iith largest eigenvalue of QQ and xix_{i} is the corresponding eigenvector. Some signal processing applications [BienvenuKopp, Larimore, RoyKailath] require knowledge of the smallest eigenvalues and corresponding eigenvectors to estimate signals in the presence of noise. In this section we will consider a function whose gradient flow yields the eigenvectors corresponding to the extreme eigenvalues of a given matrix.

Consider the compact Stiefel manifold Vn,k{V_{n,k}} of real nn-by-kk matrices, k≤nk\leq n, with orthonormal columns. As discussed in Chapter 2, Section 3, Vn,k{V_{n,k}} may be identified with the reductive homogeneous space \elvibO(n)/\elvibO(n−k)\mathord{\elvib O}({n})/\mathord{\elvib O}({n-k}) of dimension k(k−1)/2+(n−k)kk(k-1)/2+(n-k)k. Let G=\elvibO(n)G=\mathord{\elvib O}({n}), o=(I0)o=\bigl({I\atop 0}\bigr) the origin of Vn,k{V_{n,k}}, H=\elvibO(n−k)H=\mathord{\elvib O}({n-k}) the isotropy group at oo, g{g} and h{h} the Lie algebra of GG and HH, respectively. Set M=Vn,kM={V_{n,k}}. There is a subspace m{m} of g{g} such that g=m+h{g}={m}+{h} (direct sum) and AdH(m)=m\mathop{\rm Ad}\nolimits_{H}({m})={m} obtained by choosing m=h⊥{m}={h}^{\perp} with respect to the Killing form of g{g}. The tangent plane ToMT_{o}M is identified with the subspace m{m} in the standard way. Let gg be a coset representative of p∈Vn,kp\in{V_{n,k}}, i.e., p=g⋅op=g\cdot o. Tangent vectors in TpMT_{p}M will be represented by vectors in m{m} via the correspondence described in Chapter 2, Section 3. The reductive homogeneous space structure of Vn,k{V_{n,k}} will be exploited in this section to describe the gradient flow of a function defined on Vn,k{V_{n,k}} and will be especially important in later chapters when efficient algorithms for computing a few extreme eigenvalues of a symmetric matrix are developed.

Let 1≤k≤n1\leq k\leq n, AA be a real nn-by-nn symmetric matrix, and NN a real nn-by-nn diagonal matrix. Define the generalized Rayleigh quotient to be the function \mathchar28954 ⁣:Vn,k→R\mathchar 28954\relax\colon V_{n,k}\to{\bf R} given by

Gradient flows

Let pp be a point in Vn,k{V_{n,k}}, AA a real nn-by-nn symmetric matrix, and NN a real nn-by-nn diagonal matrix.

(1)(1) The element vv in m{m} corresponding to the gradient of the generalized Rayleigh quotient \mathchar28954\mathchar 28954\relax at pp with respect to the canonical invariant metric is given by

(2)(2) If the diagonal elements \mathchar28951i\mathchar 28951\relax_{i} of NN are distinct, with \mathchar28951i>0\mathchar 28951\relax_{i}>0 for i=1i=1, …, rr, and \mathchar28951i<0\mathchar 28951\relax_{i}<0 for i=r+1i=r+1, … kk, and the largest rr eigenvalues and smallest k−rk-r eigenvalues of AA are distinct, then with the exception of certain initial points contained within codimension 11 submanifolds of Vn,k{V_{n,k}}, the gradient flow associated with v=[gT ⁣Ag,oNoT]∈mv=[g^{\scriptscriptstyle\rm T}\!Ag,oNo^{\scriptscriptstyle\rm T}]\in{m} converge exponentially to points p∞p_{\infty} such that the first rr columns contain the eigenvectors of AA corresponding to its largest eigenvalues, and the last k−rk-r columns contain the eigenvectors corresponding to the smallest eigenvalues.

Proof.Let XX a tangent vector in TpMT_{p}M. Then for f∈C∞(M)f\in C^{\infty}(M), XX corresponds to x∈mx\in{m} by

By the definition of \mathchar28954\mathchar 28954\relax, it is seen that for any X∈TpMX\in T_{p}M

Let t↦ptt\mapsto p_{t} be an integral curve of a gradient flow of the \mathchar28954\mathchar 28954\relax on Vn,k{V_{n,k}}, and gtg_{t} a coset representative of ptp_{t} such that pt=gt⋅op_{t}=g_{t}\cdot o for all t∈Rt\in{\bf R}. For simplicity, denote the nn-by-nn symmetric matrix gtT ⁣Agtg_{t}^{\scriptscriptstyle\rm T}\!Ag_{t} by HH. The manifold Vn,k{V_{n,k}} is compact and thus \mathchar28954\mathchar 28954\relax is bounded from above. As the derivative

is nonnegative, the value of \mathchar28954(pt)\mathchar 28954\relax(p_{t}) has a limit and its derivative approaches zero as

Because the \mathchar28951i\mathchar 28951\relax_{i} are assumed to be distinct, these conditions imply that in the limit,

where \mathchar28953\mathchar 28953\relax is a permutation of the integers 11, …, nn, and H1H_{1} is an (n−k)(n-k)-by-(n−k)(n-k) symmetric matrix with eigenvalues \mathchar28949\mathchar28953(k+1)\mathchar 28949\relax_{\mathchar 28953\relax(k+1)}, …, \mathchar28949\mathchar28953(n)\mathchar 28949\relax_{\mathchar 28953\relax(n)}.

The second order terms of \mathchar28954(pt)\mathchar 28954\relax(p_{t}) at the critical points corresponding to H=diag(\mathchar28949\mathchar28953(1),\penalty…,\mathchar28949\mathchar28953(k),H1)H=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\penalty\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(k)},H_{1}) indicate which of these points are asymptotically stable. Because the coset representative gtg_{t} of ptp_{t} is arbitrary, choose gtg_{t} such that H=gtT ⁣Agt=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(n))H=g_{t}^{\scriptscriptstyle\rm T}\!Ag_{t}=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(n)}). Let XX be tangent vector in Tp0MT_{p_{0}}M corresponding to x∈mx\in{m}. The Taylor expansion of \mathchar28954(pt)\mathchar 28954\relax(p_{t}) about t=0t=0 is

(this formula will be established rigorously in Chapter 4). The second order terms of \mathchar28954(pt)\mathchar 28954\relax(p_{t}) at the critical points of \mathchar28954\mathchar 28954\relax corresponding to H=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(n))H=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(n)}) are given by the Hessian

where xijx_{ij} are the elements of the matrix xx.

This quadratic form is negative definite if and only if

The eigenvalues \mathchar28949\mathchar28953(i)\mathchar 28949\relax_{\mathchar 28953\relax(i)} and the numbers \mathchar28951i\mathchar 28951\relax_{i}, 1≤i≤k1\leq i\leq k, are similarly ordered.

If \mathchar28951j>0\mathchar 28951\relax_{j}>0, then \mathchar28949\mathchar28953(j)\mathchar 28949\relax_{\mathchar 28953\relax(j)} is greater than all the eigenvalues of the matrix H1H_{1}; if \mathchar28951j<0\mathchar 28951\relax_{j}<0, then \mathchar28949\mathchar28953(j)\mathchar 28949\relax_{\mathchar 28953\relax(j)} is less than all the eigenvalues of the matrix H1H_{1}.

This establishes the second part of the proposition.

Note that the second equality of part 1 of Proposition 2.2 is more suitable for computations because it requires O(k)O(k) matrix-vector multiplications, as opposed to the first equality which requires O(n)O(n) matrix-vector multiplications.

If AA or NN in Proposition 2.2 has repeated eigenvalues, then exponential stability, but not asymptotic stability, is lost.

Let AA and NN be as in part (2)(2) of Proposition 2.2. Then the generalized Rayleigh quotient \mathchar28954\mathchar 28954\relax has 2k nPk2^{k}\,{}_{n}P_{k} critical points (nPk=n!/(n−k)!{}_{n}P_{k}=n!/(n-k)! is the number of permutations of nn objects taken kk at a time), of which one is a sink, one is a source, and the remainder are saddle points.

Let AA and NN be as in part (2)(2) of Proposition 2.2. Then near the critical points corresponding to H=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(k),H1)H=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(k)},H_{1}) the gradient flow of \mathchar28954\mathchar 28954\relax has the exponential rates of convergence \mathchar28950ij\mathchar 28950\relax_{ij} given by

The singular value decomposition

The singular value decomposition (SVD) is an important decomposition in numerical linear algebra. It has applications in least squares theory, matrix inversion, subspace comparisons, and spectral analysis. Golub and Van Loan (?) provide background and examples. There has been interest recently in the application of dynamical systems to the solution of problems posed in the domain of numerical linear algebra. Brockett (?) introduces the double bracket equation H˙=[H,[H,N]]\dot{H}=[H,[H,N]], discussed in Section 1, and shows that it can solve certain problems of this type. This work motivated Perkins et al. (?) to formulate a gradient algorithm which finds classes of balanced realizations of finite dimensional linear systems. In particular, they give a gradient algorithm for the SVD. Also, several researchers have constructed neuron-like networks that perform principal component analysis. For example, Oja (?) describes a network algorithm that extracts the principal component of a statistically stationary signal; Rubner and Schulten (?) generalize this method so that all principal components are extracted. There is a link between the matrix double bracket equation and the least squares problems studied by ?, and the analysis of neural network principal component analysis provided by Baldi and Hornik (?). Baldi and Hornik describe the level set structure of a strictly convex function defined on real nn-by-nn matrices of rank kk. This level set structure becomes identical to that of the Lyapunov function −trHN-\mathop{\rm tr}\nolimits HN if the strictly convex function is restricted to matrices with fixed singular values. See also the work of Watkins and Elsner (?, ?) for a discussion of self-similar and self-equivalent flows and a continuous version of the QR algorithm for eigenvalues and singular values. ? and ? also provide gradient flows similar to the ones described here that yield the singular value decomposition of a matrix. Deift et al. (?, ?) describe how a certain flow of bidiagonal matrices that leads to the singular value decomposition can be viewed as a Hamiltonian flow with respect to the so-called Sklyanin structure, which is described by ? and ?.

This section describes a gradient flow on the space of real nn-by-kk matrices with fixed singular values whose solutions converge exponentially to the SVD of a given matrix provided that its singular values are distinct. This dynamic system has, therefore, potential application to the problems mentioned above. Also, as a generalization of the symmetric version of the matrix double bracket equation, it inherits the capability to sort lists, diagonalize matrices, and solve linear programming problems. Viewed as an algorithm for the SVD, this method is less efficient than the variant of the QR algorithm described by Golub and Van Loan; however the motivation here is to describe analog systems capable of this task. As opposed to Perkins et al.’s method which requires matrix inversion, matrix multiplication and addition are the only operations required. First presented are some results from differential geometry and a suitable representation of the set of real nn-by-kk matrices with prescribed singular values. A Riemannian structure is defined on this space so that the gradient operator is well defined. Next, the main result is given with ensuing corollaries. Finally, the results of a numerical simulation are provided.

Recall the following standard mathematical notation and concepts. Let Rn×k{\bf R}^{n\times k} denote the set of all real nn-by-kk matrices. Let \elvibO(n)\mathord{\elvib O}({n}) and o(n)\mathord{o}({n}) represent the real orthogonal group and its Lie algebra of skew-symmetric matrices, respectively, such that for Θ∈\elvibO(n)\Theta\in\mathord{\elvib O}({n}) and Ω∈o(n)\Omega\in\mathord{o}({n}), ΘTΘ=I\Theta^{\scriptscriptstyle\rm T}\Theta=I and Ω+ΩT=0\Omega+\Omega^{\scriptscriptstyle\rm T}=0. Both spaces have dimension n(n−1)/2n(n-1)/2. The notation diag(\mathchar289391,…,\mathchar28939k)\mathop{\rm diag}\nolimits(\mathchar 28939\relax_{1},\ldots,\mathchar 28939\relax_{k}) represents a kk-by-kk diagonal matrix whose diagonal elements are \mathchar28939i\mathchar 28939\relax_{i}, and diagn×k(\mathchar289391,…,\mathchar28939k)\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28939\relax_{1},\ldots,\mathchar 28939\relax_{k}) represents the nn-by-kk matrix

where, in this instance, n≥kn\geq k. Let DD represent the discrete subgroup of \elvibO(k)\mathord{\elvib O}({k}) consisting of matrices of the form diag(±1,…,±1)\mathop{\rm diag}\nolimits(\pm 1,\ldots,\pm 1). Finally, let \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} denote the manifold of real nn-by-kk matrices with the set of singular values \elvib\mathchar28955={\mathchar289551,…,\mathchar28955k}{\elvib\mathchar 28955\relax}=\{\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k}\}. In this section it is assumed that the singular values \mathchar28955i\mathchar 28955\relax_{i} are distinct, and unless stated otherwise, nonzero.

Let K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} and assume, without loss of generality, that n≥kn\geq k. Then KK has the SVD

where U∈\elvibO(n)U\in\mathord{\elvib O}({n}), V∈\elvibO(k)V\in\mathord{\elvib O}({k}), and \mathchar28955i≥0\mathchar 28955\relax_{i}\geq 0 for i=1i=1, …, kk. This decomposition is also expressible as

where the \mathchar28955i\mathchar 28955\relax_{i} are called the singular values of KK, and the uiu_{i} and viv_{i} are called the left and right singular vectors of KK, respectively, for i=1i=1, …, kk. If the singular values are distinct, the left and right singular vectors are unique up to multiplication of uiu_{i} and viv_{i} by ±1\pm 1.

The set \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is a differentiable manifold of dimension nk−knk-k if the \mathchar28955i\mathchar 28955\relax_{i} are distinct and nonzero. This fact can be inferred from the existence of a map pp from Rn×k{\bf R}^{n\times k} to the coefficients of the polynomials of degree kk over R{\bf R} whose Jacobian has constant rank, viz.,

The differential of pp at KK is given by

This mapping has rank kk for all K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax}; therefore the inverse image \elvibK\elvib\mathchar28955=p−1(0)\mathord{\elvib K}_{\elvib\mathchar 28955\relax}=p^{-1}(0) is a (compact) submanifold of Rn×k{\bf R}^{n\times k} of dimension nk−knk-k. It will be shown later that if n>kn>k, then \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is connected, if n=kn=k, then \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} has two connected components, and if n=kn=k and the elements of \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} are restricted to be symmetric, then \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} restricted to the symmetric matrices has 2k2^{k} connected components.

A similar argument shows that if {\mathchar28955i}\{\mathchar 28955\relax_{i}\} has rr nonzero distinct elements and k−rk-r zero elements, then \elvibK{\mathchar289551,…,\mathchar28955r,0,…,0}{\elvib K}_{\{\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{r},0,\ldots,0\}} is a manifold of dimension nr+kr−r2−rnr+kr-r^{2}-r. In particular, if r=k−1r=k-1, then \elvibK{\mathchar289551,…,\mathchar28955k−1,0}{\elvib K}_{\{\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k-1},0\}} is a manifold of dimension nk−nnk-n.

The statement of the main result of this section contains statements about the gradient of a certain function defined on \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. The definition of the gradient on a manifold depends upon the choice of Riemannian metric; therefore a metric must be chosen if the gradient is to be well defined. The approach of this section is standard: \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is identified with a suitable homogeneous space on which a Riemannian metric is defined (see, e.g., ?).

The product group \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) acts effectively on \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} via the map ((\mathchar28946,\mathchar28963),K)↦\mathchar28946K\mathchar28963T\bigl((\mathchar 28946\relax,\mathchar 28963\relax),K\bigr)\mapsto\mathchar 28946\relax K\mathchar 28963\relax^{\scriptscriptstyle\rm T}. Clearly this action is transitive; therefore \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is a homogeneous space with the transformation group \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}). If the \mathchar28955i\mathchar 28955\relax_{i} are distinct and nonzero, then the isotropy group or stabilizer of this action at the point diagn×k(\mathchar289551,…,\mathchar28955k)∈\elvibK\elvib\mathchar28955\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k})\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is the closed subgroup { (diag(Δ,Ψ),Δ):Ψ∈\elvibO(n−k),Δ∈D }\bigl\{\,\bigl(\mathop{\rm diag}\nolimits(\Delta,\Psi),\Delta\bigr):\Psi\in\mathord{\elvib O}({n-k}),\Delta\in D\,\bigr\}, as can be verified from an elementary calculation. Note that this subgroup is the semidirect product of \elvibO(n−k)\mathord{\elvib O}({n-k}) and ΔD=def{ (diag(Δ,I),Δ):Δ∈D }{\mathord{\Delta}_{D}}\mathrel{\mathop{\kern 0.0pt=}\limits^{\rm def}}\bigl\{\,\bigl(\mathop{\rm diag}\nolimits(\Delta,I),\Delta\bigr):\Delta\in D\,\bigr\}, the set theoretic diagonal of diag(D,I)×D\mathop{\rm diag}\nolimits(D,I)\times D; therefore it will be represented by the notation

Thus \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} may be identified with the homogeneous space (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) of dimension nk−knk-k. Let K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} have the SVD K=Udiagn×k(\mathchar289551,…,\mathchar28955k)VTK=U\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k})V^{\scriptscriptstyle\rm T}. It is straightforward to show that the map \mathchar28960 ⁣:\elvibK\elvib\mathchar28955→(\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\mathchar 28960\relax\colon\mathord{\elvib K}_{\elvib\mathchar 28955\relax}\to\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) defined by the action \mathchar28960 ⁣:K↦(U,V)ΔD\elvibO(n−k)\mathchar 28960\relax\colon K\mapsto(U,V){\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) is a bijection. Because matrix multiplication as an operation on Rn×k{\bf R}^{n\times k} is smooth, \mathchar28960−1\mathchar 28960\relax^{-1} is C∞C^{\infty}; therefore \mathchar28960\mathchar 28960\relax is a diffeomorphism.

A similar argument shows that if the set {\mathchar28955i∈R}\{\mathchar 28955\relax_{i}\in{\bf R}\} has rr nonzero distinct elements, then \elvibK{\mathchar289551,…,\mathchar28955r,0,…,0}{\elvib K}_{\{\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{r},0,\ldots,0\}} can be identified with the homogeneous space (\elvibO(n)×\elvibO(k))/ΔD(\elvibO(n−r)\penalty×\elvibO(k−r))\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\bigl(\mathord{\elvib O}({n-r})\penalty\times\mathord{\elvib O}({k-r})\bigr) of dimension nr+kr−r2−rnr+kr-r^{2}-r, where

In particular, if r=k−1r=k-1, then \elvibK{\mathchar289551,…,\mathchar28955k−1,0}{\elvib K}_{\{\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k-1},0\}} can be identified with the homogeneous space (\elvibO(n)×\elvibO(k))/ΔD(\elvibO(n−k+1)×\elvibO(1))\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\bigl(\mathord{\elvib O}({n-k+1})\times\mathord{\elvib O}({1})\bigr) of dimension nk−nnk-n.

The homogeneous space (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) is reductive; i.e., there exists a linear subspace k×o(k){k}\times\mathord{o}({k}) of o(n)×o(k)\mathord{o}({n})\times\mathord{o}({k}) such that

and AdΔD\elvibO(n−k)(k×o(k))⊂k×o(k)\mathop{\rm Ad}\nolimits_{{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k})}\bigl({k}\times\mathord{o}({k})\bigr)\subset{k}\times\mathord{o}({k}), viz.,

This is the perpendicular subspace given by Proposition 2.11 of Chapter 2. Therefore there is a natural correspondence between AdΔD\elvibO(n−k)\mathop{\rm Ad}\nolimits_{{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k})}-invariant nondegenerate symmetric bilinear forms on k×o(k){k}\times\mathord{o}({k}) and \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})-invariant Riemannian metrics on (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}). A general exposition of these ideas is given by ?.

The object of these remarks is to establish the identification

when the \mathchar28955i\mathchar 28955\relax_{i} are distinct and nonzero, where ΔD\elvibO(n−k){\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) is the closed subgroup of \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) defined in Remark 3.2, and to assert that a positive definite quadratic form on k×o(k){k}\times\mathord{o}({k}) defines a Riemannian metric on \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}, where k{k} is the linear subspace defined in Remark 3.3.

The nondegenerate symmetric bilinear form on k×o(k){k}\times\mathord{o}({k}) defined by

where Φ1,Φ2∈o(k)\Phi_{1},\Phi_{2}\in\mathord{o}({k}), Γ1,Γ2∈k\Gamma_{1},\Gamma_{2}\in{k}, and n≥k≥3n\geq k\geq 3, defines an \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})-invariant Riemannian metric on (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}). If nn or kk equals 2, replacing the coefficients (n−2)(n-2) or (k−2)(k-2) by unity, respectively, yields an \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})-invariant Riemannian metric on (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}).

Proof.The product space \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) is a compact semisimple Lie group, n,k≥3n,k\geq 3; therefore the Killing form \mathchar28967((Γ1,Φ1),(Γ2,Φ2))=(n−2)trΓ1Γ2+(k−2)trΦ1Φ2\mathchar 28967\relax\bigl((\Gamma_{1},\Phi_{1}),(\Gamma_{2},\Phi_{2})\bigr)=(n-2)\mathop{\rm tr}\nolimits\Gamma_{1}\Gamma_{2}+(k-2)\mathop{\rm tr}\nolimits\Phi_{1}\Phi_{2} of o(n)×o(k)\mathord{o}({n})\times\mathord{o}({k}) is strictly negative definite. From ?, or ?, it can be seen that there is a natural correspondence between \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})-invariant Riemannian metrics on (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) and nondegenerate symmetric bilinear forms on k×o(k){k}\times\mathord{o}({k}). Therefore the form g=−12\mathchar28967g=-{\mathchoice{{\textstyle{1\over 2}}}{{\textstyle{1\over 2}}}{{\scriptstyle{1\over 2}}}{{\scriptscriptstyle{1\over 2}}}}\mathchar 28967\relax restricted to k×o(k){k}\times\mathord{o}({k}) defines such a metric. If nn or kk equals 2, the nondegenerate symmetric bilinear form (Ω1,Ω2)↦12trΩ1TΩ2(\Omega_{1},\Omega_{2})\mapsto{\mathchoice{{\textstyle{1\over 2}}}{{\textstyle{1\over 2}}}{{\scriptstyle{1\over 2}}}{{\scriptscriptstyle{1\over 2}}}}\mathop{\rm tr}\nolimits\Omega_{1}^{\scriptscriptstyle\rm T}\Omega_{2} on o(2)\mathord{o}({2}) defines an \elvibO(2)\mathord{\elvib O}({2})-invariant Riemannian metric on \elvibO(2)\mathord{\elvib O}({2}). Therefore replacing the expressions (n−2)(n-2) or (k−2)(k-2) by unity in Equation (7) yields an \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})-invariant Riemannian metric on (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}).

Let Σ ⁣:R→\elvibK\elvib\mathchar28955\Sigma\colon{\bf R}\to\mathord{\elvib K}_{\elvib\mathchar 28955\relax} be a smoothly parameterized curve in \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. Then the tangent vector to the curve Σ\Sigma at tt is of the form

where Φ∈o(k)\Phi\in\mathord{o}({k}) and Γ∈k\Gamma\in{k}.

Proof.Let K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. Then Σ(t)=UT(t)KV(t)\Sigma(t)=U^{\scriptscriptstyle\rm T}(t)KV(t) for U(t)∈\elvibO(n)U(t)\in\mathord{\elvib O}({n}) and V(t)∈\elvibO(k)V(t)\in\mathord{\elvib O}({k}). The perturbations U(t)→Ue(t+\mathchar28943)ΓU(t)\to Ue^{(t+\mathchar 28943\relax)\Gamma} and V(t)→Ve(t+\mathchar28947)ΦV(t)\to Ve^{(t+\mathchar 28947\relax)\Phi} for U∈\elvibO(n)U\in\mathord{\elvib O}({n}), V∈\elvibO(k)V\in\mathord{\elvib O}({k}) Γ∈k\Gamma\in{k}, Φ∈o(k)\Phi\in\mathord{o}({k}), and real \mathchar28943\mathchar 28943\relax and \mathchar28947\mathchar 28947\relax, give rise to the tangent vector of Equation (8) under the change of coordinates Σ(t)=UT(t)KV(t)\Sigma(t)=U^{\scriptscriptstyle\rm T}(t)KV(t). The elements of Γ\Gamma and Φ\Phi parameterize the tangent plane of \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} at Σ(t)\Sigma(t) completely; therefore this set of tangent vectors is complete.

Gradient flows

where N=diagn×k(\mathchar289511,…,\mathchar28951k)N=\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28951\relax_{1},\ldots,\mathchar 28951\relax_{k}) and the \mathchar28951i\mathchar 28951\relax_{i} are real (cf. von Neumann (1962)). For the remainder of this section, assume that n≥k≥3n\geq k\geq 3. The following results may be extended to include the cases where nn or kk equals 2 by replacing the expressions (n−2)(n-2) or (k−2)(k-2) by unity, respectively. The notation [ ⁣[ , ] ⁣] ⁣:Rm×l×Rm×l→o(m)[\mkern-3.0mu[\,{,}\,]\mkern-3.0mu]\colon{\bf R}^{m\times l}\times{\bf R}^{m\times l}\to\mathord{o}({m}) defined for m≥3m\geq 3 by the bilinear operation [ ⁣[A,B] ⁣]=(ABT−BAT)/(m−2)[\mkern-3.0mu[A,B]\mkern-3.0mu]=(AB^{\scriptscriptstyle\rm T}-BA^{\scriptscriptstyle\rm T})/(m-2) is employed in the statement of the following proposition.

Let Σ\Sigma, K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. The gradient ascent equation on \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} for the function trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma with respect to the Riemannian metric defined above is

Equivalently, let U∈\elvibO(n)U\in\mathord{\elvib O}({n}) and V∈\elvibO(k)V\in\mathord{\elvib O}({k}). The gradient ascent equations on \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) for the function trNTUT ⁣KV\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV with respect to the Riemannian metric defined above are

Furthermore, if {\mathchar28955i}\{\mathchar 28955\relax_{i}\} and {\mathchar28951i}\{\mathchar 28951\relax_{i}\} have distinct elements, then with the exception of certain initial points contained within a finite union of codimension 11 submanifolds of \elvibK\elvib\mathchar28955×\elvibO(n)×\elvibO(k)\mathord{\elvib K}_{\elvib\mathchar 28955\relax}\times\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}), the triple (Σ,U,V)(\Sigma,U,V) converges exponentially to the singular value decomposition of KK (up to the signs of the singular values). If Σ\Sigma is nonsquare or nonsymmetric, then in the limit the moduli of the ±\mathchar28955i\pm\mathchar 28955\relax_{i} and the \mathchar28951i\mathchar 28951\relax_{i} are similarly ordered. If Σ\Sigma is square and symmetric, then in the limit the eigenvalues \mathchar28949i=±\mathchar28955i\mathchar 28949\relax_{i}=\pm\mathchar 28955\relax_{i} of Σ\Sigma and the \mathchar28951i\mathchar 28951\relax_{i} are similarly ordered.

Proof.Let KK have the SVD K=U1diagn×k(\mathchar289551,…,\mathchar28955k)V1TK=U_{1}\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k})V_{1}^{\scriptscriptstyle\rm T} where the singular values are distinct and nonzero. Denote the isotropy group at KK by H=(U1,V1)ΔD\elvibO(n−k)\*(U1T,V1T)H=(U_{1},V_{1}){\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k})\*(U_{1}^{\scriptscriptstyle\rm T},V_{1}^{\scriptscriptstyle\rm T}) (n.b. Remark 3.2). The gradient of the function f ⁣:(\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)→Rf\colon\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k})\to{\bf R} at the point H(U,V)H(U,V) is uniquely defined by the equality

For f(H(U,V))=trNTUT ⁣KVf(H(U,V))=\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV, it can be seen that

where the identities trABC=trBCA=trCAB\mathop{\rm tr}\nolimits ABC=\mathop{\rm tr}\nolimits BCA=\mathop{\rm tr}\nolimits CAB and trAT ⁣B=tr(AT ⁣B+BT ⁣A)/2\mathop{\rm tr}\nolimits A^{\scriptscriptstyle\rm T}\!B=\mathop{\rm tr}\nolimits(A^{\scriptscriptstyle\rm T}\!B+B^{\scriptscriptstyle\rm T}\!A)/2 are employed. From the definition of the Riemannian metric in Proposition 3.4, it is clear that the gradient directions of trNTUT ⁣KV\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV are

This with Proposition 3.5 proves the first part.

is nonnegative and trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma is bounded from above (\elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is a compact subset of Rn×k{\bf R}^{n\times k}), trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma has a limit and its derivative approaches zero as [ ⁣[Σ,N] ⁣][\mkern-3.0mu[\Sigma,N]\mkern-3.0mu] and [ ⁣[ΣT,NT] ⁣][\mkern-3.0mu[\Sigma^{\scriptscriptstyle\rm T},N^{\scriptscriptstyle\rm T}]\mkern-3.0mu] approach zero. In the limit these become, for 1≤i,j≤k1\leq i,j\leq k,

where the \mathchar28955ij\mathchar 28955\relax_{ij} are elements of Σ\Sigma. If the \mathchar28951i\mathchar 28951\relax_{i} are distinct, these conditions imply that \mathchar28955ij=0\mathchar 28955\relax_{ij}=0 for i≠ji\neq j. Therefore the critical points of Equations ( ( ⁢ 9 a ) a) and ( ( ⁢ 9 a ) b) occur when the prescribed singular values are along the diagonal of Σ\Sigma; i.e., Σ=diagn×k(±\mathchar28955\mathchar28953(1),…,±\mathchar28955\mathchar28953(k))\Sigma=\mathop{\rm diag}\nolimits_{n\times k}(\pm\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\pm\mathchar 28955\relax_{\mathchar 28953\relax(k)}) for some permutation \mathchar28953\mathchar 28953\relax of the integers 11, …, kk.

Inspecting the second order terms of trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma at a critical point Σ=diagn×k(\mathchar28955\mathchar28953(1),\penalty…,\mathchar28955\mathchar28953(k))\Sigma=\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{\mathchar 28953\relax(1)},\penalty\ldots,\mathchar 28955\relax_{\mathchar 28953\relax(k)}) will show which of these points is asymptotically stable. Let Σ\Sigma be the parameterized matrix (Ue\mathchar28943Γ)T ⁣K(Ve\mathchar28947Φ)(Ue^{\mathchar 28943\relax\Gamma})^{\scriptscriptstyle\rm T}\!K(Ve^{\mathchar 28947\relax\Phi}), where UT ⁣KV=diagn×k(\mathchar28955\mathchar28953(1),…,\mathchar28955\mathchar28953(k))U^{\scriptscriptstyle\rm T}\!KV=\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28955\relax_{\mathchar 28953\relax(k)}). The second order terms of trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma are

where \mathchar28941ij\mathchar 28941\relax_{ij} and \mathchar28958ij\mathchar 28958\relax_{ij} are the elements of Γ\Gamma and Φ\Phi, respectively. Thus trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma is negative definite if and only if this quadratic form is negative definite. Three cases must be considered.

The quadratic form of Equation (10) is negative definite if and only if the 22-by-22 matrices in the first sum are positive definite and the coefficients \mathchar28951i\mathchar28955\mathchar28953(i)\mathchar 28951\relax_{i}\mathchar 28955\relax_{\mathchar 28953\relax(i)} of the second sum are positive. The matrices will be inspected first. A 22-by-22 symmetric matrix is positive definite if and only if its (1,1)(1,1) element and its determinant are positive. In this case, these conditions imply that

The condition that the determinant be positive implies that the moduli of \mathchar28951i\mathchar 28951\relax_{i} and ±\mathchar28955\mathchar28953(i)\pm\mathchar 28955\relax_{\mathchar 28953\relax(i)} must be similarly ordered and that the singular values must be distinct. Given that the moduli are similarly ordered, the condition that the (1,1)(1,1) element \mathchar28951i\mathchar28955\mathchar28953(i)+\mathchar28951j\mathchar28955\mathchar28953(j)\mathchar 28951\relax_{i}\mathchar 28955\relax_{\mathchar 28953\relax(i)}+\mathchar 28951\relax_{j}\mathchar 28955\relax_{\mathchar 28953\relax(j)} be positive demands that

because if ∣\mathchar28951i∣>∣\mathchar28951j∣|\mathchar 28951\relax_{i}|>|\mathchar 28951\relax_{j}| (implying that ∣\mathchar28955\mathchar28953(i)∣>∣\mathchar28955\mathchar28953(j)∣|\mathchar 28955\relax_{\mathchar 28953\relax(i)}|>|\mathchar 28955\relax_{\mathchar 28953\relax(j)}|) and sign\mathchar28955\mathchar28953(i)=−sign\mathchar28951i\mathop{\rm sign}\nolimits\mathchar 28955\relax_{\mathchar 28953\relax(i)}=-\mathop{\rm sign}\nolimits\mathchar 28951\relax_{i}, then the (1,1)(1,1) element would be negative. This argument asserts nothing about the sign of the smallest singular value, which, without loss of generality, may be taken as \mathchar28955k\mathchar 28955\relax_{k}. As stated previously, the coefficients \mathchar28951i\mathchar28955\mathchar28953(i)\mathchar 28951\relax_{i}\mathchar 28955\relax_{\mathchar 28953\relax(i)} of the second sum of Equation (10) must be positive. Therefore

Case II. Σ\Sigma square and nonsymmetric

In this case the second sum of Equation (10) vanishes and cannot be used to determine the sign of \mathchar28955k\mathchar 28955\relax_{k}, but the additional structure of square matrices compensates for this loss. Consider the (square) decomposition Σ=UT ⁣KV\Sigma=U^{\scriptscriptstyle\rm T}\!KV, where KK is nonsymmetric and U,V∈\elvbitS ⁣O(n)U,V\in\mathord{\elvbit S\!O}({n}) (the special orthogonal group \elvbitS ⁣O(n)={ Θ∈\elvibO(n):det⁡Θ=1 }\mathord{\elvbit S\!O}({n})=\{\,\Theta\in\mathord{\elvib O}({n}):\det\Theta=1\,\}). Then

and the sign of \mathchar28955k\mathchar 28955\relax_{k} is determined.

When Σ\Sigma is square and symmetric, Equation ( ( ⁢ 9 a ) a) reduces to the matrix double bracket equation described by ?; i.e., Σ˙=[Σ,[Σ,N]]\dot{\Sigma}=[\Sigma,[\Sigma,N]]; Σ(0)=K=KT\Sigma(0)=K=K^{\scriptscriptstyle\rm T} defined over real kk-by-kk symmetric matrices with fixed eigenvalues (where the time parameter is scaled by k−2k-2). Thus the flow of Σ\Sigma on \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is isospectral and Σ(t)\Sigma(t) is symmetric for all tt. The critical points of Equation ( ( ⁢ 9 a ) a) occur when the eigenvalues \mathchar28949i=±\mathchar28955i\mathchar 28949\relax_{i}=\pm\mathchar 28955\relax_{i} of KK are along the diagonal of Σ\Sigma; i.e., Σ=diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(n))\Sigma=\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(n)}) for some permutation \mathchar28953\mathchar 28953\relax of the integers 11, …, kk. A square symmetric matrix KK in Equation ( ( ⁢ 9 a ) b) implies that U≡VU\equiv V; i.e., V˙=V[VT ⁣KV,N]\dot{V}=V[V^{\scriptscriptstyle\rm T}\!KV,N]; V(0)=IV(0)=I or diag(−1,1,…,1)\mathop{\rm diag}\nolimits(-1,1,\ldots,1) (where the time parameter is scaled by k−2k-2). Therefore \mathchar28941ij=\mathchar28958ij\mathchar 28941\relax_{ij}=\mathchar 28958\relax_{ij} in Equation (10), which reduces to the sum

This sum is negative definite if and only if {\mathchar28949i}\{\mathchar 28949\relax_{i}\} and {\mathchar28951i}\{\mathchar 28951\relax_{i}\} are similarly ordered.

If one of the singular values vanishes, the proof holds if the homogeneous space (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) is replaced by (\elvibO(n)×\elvibO(k))/\penaltyΔD(\elvibO(n−k+1)\penalty×\elvibO(1)),\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/\penalty{\mathord{\Delta}_{D}}\bigl(\mathord{\elvib O}({n-k+1})\penalty\times\mathord{\elvib O}({1})\bigr), and the linear space k{k} is replaced by the linear space k′{k}^{\prime} defined by the orthogonal decomposition o(n)=diag(0,o(n−k+1))+k′\mathord{o}({n})=\mathop{\rm diag}\nolimits(0,\mathord{o}({n-k+1}))+{k}^{\prime} (direct sum). This completes the proof of the second part.

If KK or NN in Proposition 3.6 has repeated singular values, exponential stability, but not asymptotic stability, is lost.

Let the \mathchar28955i\mathchar 28955\relax_{i} and the \mathchar28951i\mathchar 28951\relax_{i} be distinct and nonzero. The following hold:

(1)(1) Let Σ∈\elvibK\elvib\mathchar28955\Sigma\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} be nonsquare. Then \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is connected and Equation (\refeq:svdflowa)\rm(\ref{eq:svdflow}a) has 2kk!2^{k}k! critical points, of which one is a sink, one is a source, and the remainder are saddle points. Also, the set of critical points of Equation (\refeq:svdflowb)\rm(\ref{eq:svdflow}b) is a submanifold of \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) of dimension (n−k)(n−k−1)/2(n-k)(n-k-1)/2.

(2)(2) Let Σ∈\elvibK\elvib\mathchar28955\Sigma\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} be square and nonsymmetric. Then \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} has two connected components corresponding to the sign of det⁡Σ\det\Sigma. On each connected component Equation (\refeq:svdflowa)\rm(\ref{eq:svdflow}a) has 2k−1k!2^{k-1}k! critical points, of which one is a sink, one is a source, and the remainder are saddle points. Also, Equation (\refeq:svdflowb)\rm(\ref{eq:svdflow}b) has 22kk!2^{2k}k! critical points, of which 22k2^{2k} are sinks, 22k2^{2k} are sources, and the remainder are saddle points.

(3)(3) Let Σ∈\elvibK\elvib\mathchar28955\Sigma\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} be square and symmetric. Then \elvibK\elvib\mathchar28955∩{ Q∈Rk×k:Q=QT }\mathord{\elvib K}_{\elvib\mathchar 28955\relax}\cap\{\,Q\in{\bf R}^{k\times k}:Q=Q^{\scriptscriptstyle\rm T}\,\} has 2k2^{k} connected components corresponding to matrices with eigenvalues {±\mathchar28955i}\{\pm\mathchar 28955\relax_{i}\}. On each connected component Equation (\refeq:svdflowa)\rm(\ref{eq:svdflow}a) has k!k! critical points, of which one is a sink, one is a source, and the remainder are saddle points. Also, Equation (\refeq:svdflowb)\rm(\ref{eq:svdflow}b) has 2kk!2^{k}k! critical points, of which 2k2^{k} are sinks, 2k2^{k} are sources, and the remainder are saddle points.

Proof.Without loss of generality, let N=diagn×k(k,…,1)N=\mathop{\rm diag}\nolimits_{n\times k}(k,\ldots,1). In the nonsquare case every trajectory with initial point K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} converges to the point diagn×k(\mathchar289551,…,\mathchar28955k)\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28955\relax_{1},\ldots,\mathchar 28955\relax_{k}), except for a finite union of codimension 1 submanifolds of \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. But the closure of this set of initial points is \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}; therefore \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} is path connected, and, as seen in the proof of Proposition 3.6, Equation ( ( ⁢ 9 a ) a) has 2kk!2^{k}k! critical points. Furthermore, for every critical point of Equation ( ( ⁢ 9 a ) a) there is a corresponding critical point (U,V)(U,V) of Equation ( ( ⁢ 9 a ) b). But every point in the coset (U,V)ΔD\elvibO(n−k)(U,V){\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) is also a critical point of Equation ( ( ⁢ 9 a ) b).

In the square nonsymmetric case every trajectory with initial point K∈\elvibK\elvib\mathchar28955K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax} converges to the point diag(\mathchar289551,…,(signdet⁡K)\mathchar28955k)\mathop{\rm diag}\nolimits\bigl(\mathchar 28955\relax_{1},\ldots,(\mathop{\rm sign}\nolimits\det K)\mathchar 28955\relax_{k}\bigr), except for a finite union of codimension 1 submanifolds of \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. The closures of these sets of initial points with positive and negative determinants are path connected and disjoint; therefore \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} has two connected components, and there are 2k−1k!2^{k-1}k! critical points in each connected component. Furthermore, for every critical point of Equation ( ( ⁢ 9 a ) a) there is a corresponding critical point (U,V)(U,V) of Equation ( ( ⁢ 9 a ) b). But every point in the coset (U,V)ΔD(U,V){\mathord{\Delta}_{D}} is also a critical point of Equation ( ( ⁢ 9 a ) b).

In the square symmetric case every trajectory with initial point K∈\elvibK\elvib\mathchar28955∩{ Q∈Rk×k:Q=QT }K\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax}\cap\{\,Q\in{\bf R}^{k\times k}:Q=Q^{\scriptscriptstyle\rm T}\,\} converges to the point diagn×k(\mathchar289491,…,\mathchar28949k)\mathop{\rm diag}\nolimits_{n\times k}(\mathchar 28949\relax_{1},\ldots,\mathchar 28949\relax_{k}), where the \mathchar28949i=±\mathchar28955i\mathchar 28949\relax_{i}=\pm\mathchar 28955\relax_{i} are the ordered eigenvalues of KK, except for a finite union of codimension 1 submanifolds of \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. The closures of these isospectral sets of initial points are path connected and disjoint; therefore \elvibK\elvib\mathchar28955∩{ Q∈Rk×k:Q=QT }\mathord{\elvib K}_{\elvib\mathchar 28955\relax}\cap\{\,Q\in{\bf R}^{k\times k}:Q=Q^{\scriptscriptstyle\rm T}\,\} has 2k2^{k} connected components, and there are k!k! critical points in each connected component. Furthermore, for all critical points diag(\mathchar28949\mathchar28953(1),…,\mathchar28949\mathchar28953(k))\mathop{\rm diag}\nolimits(\mathchar 28949\relax_{\mathchar 28953\relax(1)},\ldots,\mathchar 28949\relax_{\mathchar 28953\relax(k)}) of Equation ( ( ⁢ 9 a ) a) there is a corresponding critical point VV of Equation ( ( ⁢ 9 a ) b). But every point in the coset VDVD is also a critical point of Equation ( ( ⁢ 9 a ) b).

Let the \mathchar28955i\mathchar 28955\relax_{i} and the \mathchar28951i\mathchar 28951\relax_{i} be distinct and nonzero. The function trNTΣ\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}\Sigma mapping \elvibK\elvib\mathchar28955\mathord{\elvib K}_{\elvib\mathchar 28955\relax} to the real line has 2kk!2^{k}k! critical points, of which one is a global minimum (and one is a local minimum if n=kn=k), one is a global maximum (and one is a local maximum if n=kn=k), and the remainder are saddle points. Furthermore, if n>kn>k, the submanifold ΔD\elvibO(n−k){\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) of \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) is a nondegenerate critical manifold of the function trNTUT ⁣KV\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV mapping \elvibO(n)×\elvibO(k)\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}) to the real line. If n=kn=k and KK is nonsymmetric, the function trNTUT ⁣KV\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV has 22kk!2^{2k}k! critical points, of which 2k2^{k} are global minima, 2k2^{k} are local minima, 2k2^{k} are global maxima, 2k2^{k} are local maxima, and the remainder are saddle points. If n=kn=k and KK is symmetric, the function trNTUT ⁣KV\mathop{\rm tr}\nolimits N^{\scriptscriptstyle\rm T}U^{\scriptscriptstyle\rm T}\!KV has 2kk!2^{k}k! critical points, of which 2k2^{k} are global minima, 2k2^{k} are global maxima, and the remainder are saddle points.

Let ll be a positive integer. The matrix (ΣTΣ)l(\Sigma^{\scriptscriptstyle\rm T}\Sigma)^{l} evolves isospectrally on flows of Equation (\refeq:svdflowa)\rm(\ref{eq:svdflow}a).

Proof.The corollary follows from the fact that

Let {\mathchar28955i}\{\mathchar 28955\relax_{i}\} and {\mathchar28951i}\{\mathchar 28951\relax_{i}\} have distinct nonzero elements.

(1)(1) Near the critical points Σ=diagn×k(±\mathchar28955\mathchar28953(1),…,\penalty±\mathchar28955\mathchar28953(k))\Sigma=\mathop{\rm diag}\nolimits_{n\times k}(\pm\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\penalty\pm\mathchar 28955\relax_{\mathchar 28953\relax(k)}) the off-diagonal elements \mathchar28955ij\mathchar 28955\relax_{ij} of Equation (\refeq:svdflowa)\rm(\ref{eq:svdflow}a) converge exponentially with rates rij(1)r^{(1)}_{ij} given by the eigenvalues of the matrix

(2)(2) Near the critical points (U,V)(U,V) such that UT ⁣KV=diagn×k(±\mathchar28955\mathchar28953(1),…,±\mathchar28955\mathchar28953(k))U^{\scriptscriptstyle\rm T}\!KV=\mathop{\rm diag}\nolimits_{n\times k}(\pm\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\pm\mathchar 28955\relax_{\mathchar 28953\relax(k)}), the elements of Equation (\refeq:svdflowb)\rm(\ref{eq:svdflow}b) converge exponentially with rates rij(2)r^{(2)}_{ij} given by the eigenvalues of the matrix

(3)(3) For all ii and jj, rij(1)=rij(2)r^{(1)}_{ij}=r^{(2)}_{ij}.

Proof.Let \mathchar28942U=U\mathchar28942Γ\mathchar 28942\relax U=U\mathchar 28942\relax\Gamma and \mathchar28942V=V\mathchar28942Φ\mathchar 28942\relax V=V\mathchar 28942\relax\Phi be first order perturbations of (U,V)∈\elvibO(n)×\elvibO(k)(U,V)\in\mathord{\elvib O}({n})\times\mathord{\elvib O}({k}), i.e., \mathchar28942Γ∈so(n)\mathchar 28942\relax\Gamma\in\mathord{so}({n}) and \mathchar28942Φ∈so(k)\mathchar 28942\relax\Phi\in\mathord{so}({k}). Then

is a first order perturbation of Σ∈\elvibK\elvib\mathchar28955\Sigma\in\mathord{\elvib K}_{\elvib\mathchar 28955\relax}. Computing the first order perturbation of Equation ( ( ⁢ 9 a ) a) at the critical point Σ=diagn×k(±\mathchar28955\mathchar28953(1),…,±\mathchar28955\mathchar28953(k))\Sigma=\mathop{\rm diag}\nolimits_{n\times k}(\pm\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\pm\mathchar 28955\relax_{\mathchar 28953\relax(k)}), it is seen that

This differential equation is equivalent to the set of differential equations

for 1≤i,j≤k1\leq i,j\leq k, and \mathchar28942\mathchar28955˙ij=−rij(1)\mathchar28942\mathchar28955ij\mathchar 28942\relax\dot{\mathchar 28955\relax}_{ij}=-r^{(1)}_{ij}\mathchar 28942\relax\mathchar 28955\relax_{ij} for k<i≤nk<i\leq n, 1≤j≤k1\leq j\leq k. This establishes the first part.

Computing the first order perturbation of Equation ( ( ⁢ 9 a ) b) at the critical point (U,V)(U,V) such that UT ⁣KV=diagn×k(±\mathchar28955\mathchar28953(1),…,±\mathchar28955\mathchar28953(k))U^{\scriptscriptstyle\rm T}\!KV=\mathop{\rm diag}\nolimits_{n\times k}(\pm\mathchar 28955\relax_{\mathchar 28953\relax(1)},\ldots,\pm\mathchar 28955\relax_{\mathchar 28953\relax(k)}), it is seen that

These differential equations are equivalent to the set of differential equations

for 1≤i,j≤k1\leq i,j\leq k, \mathchar28942\mathchar28941˙ij=−rij(2)\mathchar28942\mathchar28941ij\mathchar 28942\relax\dot{\mathchar 28941\relax}_{ij}=-r^{(2)}_{ij}\mathchar 28942\relax\mathchar 28941\relax_{ij} for k<i≤nk<i\leq n, 1≤j≤k1\leq j\leq k, and \mathchar28942\mathchar28941˙ij=0\mathchar 28942\relax\dot{\mathchar 28941\relax}_{ij}=0 for k<i,j≤nk<i,j\leq n. This establishes the second part.

The final part follows immediately from the equalities trR1=trR2\mathop{\rm tr}\nolimits R_{1}=\mathop{\rm tr}\nolimits R_{2} and det⁡R1=det⁡R2\det R_{1}=\det R_{2}.

Equations (\refeq:svdflowa)\rm(\ref{eq:svdflow}a) and (\refeq:svdflowb)\rm(\ref{eq:svdflow}b) become

when the notation [ ⁣[ , ] ⁣][\mkern-3.0mu[\,{,}\,]\mkern-3.0mu] is expanded and n≥k≥3n\geq k\geq 3.

Experimental results

The system of Equation ( ( ⁢ 9 a ) b) was simulated with a Runge–Kutta algorithm with K=diag7×5(1,2,3,4,5)K=\mathop{\rm diag}\nolimits_{7\times 5}(1,2,3,4,5), N=diag7×5(5,4,3,2,1)N=\mathop{\rm diag}\nolimits_{7\times 5}(5,4,3,2,1), and the initial conditions

representing U(0)U(0) and V(0)V(0) chosen at random using Gram-Schmidt orthogonalization from \elvibO(7)\mathord{\elvib O}({7}) and \elvibO(5)\mathord{\elvib O}({5}), respectively. Figure 1 illustrates the convergence of the diagonal elements of Σ\Sigma to the singular values 55, 44, 33, 22, 11 of KK. Figure 2 illustrates the rates of convergence of a few off diagonal elements of Σ\Sigma, which are tabulated in Table 1 with the predicted convergence rates of Proposition 3.11.

Chapter 4 Optimization on Riemannian Manifolds

The preponderance of optimization techniques address problems posed on Euclidean spaces. Indeed, several fundamental algorithms have arisen from the desire to compute the minimum of quadratic forms on Euclidean space. However, many optimization problems are posed on non-Euclidean spaces. For example, finding the largest eigenvalue of a symmetric matrix may be posed as the maximization of the Rayleigh quotient defined on the sphere. Optimization problems subject to nonlinear differentiable equality constraints on Euclidean space also lie within this category. Many optimization problems share with these examples the structure of a differentiable manifold endowed with a Riemannian metric. This is the subject of this chapter: the extremization of functions defined on Riemannian manifolds.

The minimization of functions on a Riemannian manifold is, at least locally, equivalent to the smoothly constrained optimization problem on a Euclidean space, because every C∞C^{\infty} Riemannian manifold can be isometrically imbedded in some Euclidean space [Spivak, Vol. 5]. However, the dimension of the Euclidean space may be larger than the dimension of the manifold; practical and aesthetic considerations suggest that one try to exploit the intrinsic structure of the manifold. Elements of this spirit may be found throughout the field of numerical methods, such as the emphasis on unitary (norm preserving) transformations in numerical linear algebra [GVL], or the use of feasible direction methods [Fletcher, GillMurray, Sargent].

An intrinsic approach leads one from the extrinsic idea of vector addition to the exponential map and parallel translation, from minimization along lines to minimization along geodesics, and from partial differentiation to covariant differentiation. The computation of geodesics, parallel translation, and covariant derivatives can be quite expensive. For an n-n\hbox{-}dimensional manifold, the computation of geodesics and parallel translation requires the solution of a system of 2n2n nonlinear and nn linear ordinary differential equations. Nevertheless, many optimization problems are posed on manifolds that have an underlying structure that may be exploited to greatly reduce the complexity of these computations. For example, on a real compact semisimple Lie group endowed with its natural Riemannian metric, geodesics and parallel translation may be computed via matrix exponentiation [Helgason]. Several algorithms are available to perform this computation [GVL, nineteendubious]. This structure may be found in the problems posed by Brockett (?, ?, ?), Bloch et al. (?, ?), Smith (?), Faybusovich (?), Lagarias (?), Chu et al. (?, ?), Perkins et al. (?), and Helmke (?). This approach is also applicable if the manifold can be identified with a symmetric space or, excepting parallel translation, a reductive homogeneous space [Nomizu, KobayashiandNomizu]. Perhaps the simplest nontrivial example is the sphere, where geodesics and parallel translation can be computed at low cost with trigonometric functions and vector addition. If the reductive homogeneous space does not have a symmetric space structure, the result of Proposition 2.12 of Chapter 2 can be used to compute the parallel translation of arbitrary vectors along geodesics. Furthermore, Brown and Bartholomew-Biggs (?) show that in some cases function minimization by following the solution of a system of ordinary differential equations can be implemented so as to make it competitive with conventional techniques.

The outline of the chapter is as follows. In Section 1, the optimization problem is posed and conventions to be held throughout the chapter are established. The method of steepest descent on a Riemannian manifold is described in Section 2. To fix ideas, a proof of linear convergence is given. The examples of the Rayleigh quotient on the sphere and the function trΘTQΘN\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N on the special orthogonal group are presented. In Section 3, Newton’s method on a Riemannian manifold is derived. As in Euclidean space, this algorithm may be used to compute the extrema of differentiable functions. It is proved that this method converges quadratically. The example of the Rayleigh quotient is continued, and it is shown that Newton’s method applied to this function converges cubically, and is approximated by the Rayleigh quotient iteration. The example considering trΘTQΘN\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N is continued. In a related example, it is shown that Newton’s method applied to the sum of the squares of the off-diagonal elements of a symmetric matrix converges cubically. This provides an example of a cubically convergent Jacobi-like method. The conjugate gradient method is presented in Section 4 with a proof of superlinear convergence. This technique is shown to provide an effective algorithm for computing the extreme eigenvalues of a symmetric matrix. The conjugate gradient method is applied to the function trΘTQΘN\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N.

This chapter is concerned with the following problem.

Let MM be a complete Riemannian manifold, and ff a C∞C^{\infty} function on MM. Compute

There are many well-known algorithms for solving this problem in the case where MM is a Euclidean space. This section generalizes several of these algorithms to the case of complete Riemannian manifolds by replacing the Euclidean notions of straight lines and ordinary differentiation with geodesics and covariant differentiation. These concepts are reviewed in Chapter 2.

Unless otherwise specified, all manifolds, vector fields, and functions are assumed to be smooth. When considering a function ff to be minimized, the assumption that ff is differentiable of class C∞C^{\infty} can be relaxed throughout the chapter, but ff must be continuously differentiable at least beyond the derivatives that appear. As the results of this chapter are local ones, the assumption that MM be complete may also be relaxed in certain instances.

We will use the the following definitions to compare the convergence rates of various algorithms.

Let {pi}\{p_{i}\} be a Cauchy sequence in MM that converges to p^{\hat{p}}. (i) The sequence {pi}\{p_{i}\} is said to converge (at least) linearly if there exists an integer NN and a constant \mathchar28946∈[0,1)\mathchar 28946\relax\in[0,1) such that d(pi+1,p^)≤\mathchar28946d(pi,p^)d(p_{i+1},{\hat{p}})\leq\mathchar 28946\relax d(p_{i},{\hat{p}}) for all i≥Ni\geq N. (ii) The sequence {pi}\{p_{i}\} is said to converge (at least) quadratically if there exists an integer NN and a constant \mathchar28946≥0\mathchar 28946\relax\geq 0 such that d(pi+1,p^)≤\mathchar28946d2(pi,p^)d(p_{i+1},{\hat{p}})\leq\mathchar 28946\relax d^{2}(p_{i},{\hat{p}}) for all i≥Ni\geq N. (iii) The sequence {pi}\{p_{i}\} is said to converge (at least) cubically if there exists an integer NN and a constant \mathchar28946≥0\mathchar 28946\relax\geq 0 such that d(pi+1,p^)≤\mathchar28946d3(pi,p^)d(p_{i+1},{\hat{p}})\leq\mathchar 28946\relax d^{3}(p_{i},{\hat{p}}) for all i≥Ni\geq{N}. (iv) The sequence {pi}\{p_{i}\} is said to converge superlinearly if it converges faster than any sequence that converges linearly.

Steepest descent on Riemannian manifolds

The method of steepest descent on a Riemannian manifold is conceptually identical to the method of steepest descent on Euclidean space. Each iteration involves a gradient computation and minimization along the geodesic determined by the gradient. Fletcher (?), Botsaris (?, ?, ?), and Luenberger (?) describe this algorithm in Euclidean space. Gill and Murray (?) and Sargent (?) apply this technique in the presence of constraints. In this section we restate the method of steepest descent described in the literature and provide an alternative formalism that will be useful in the development of Newton’s method and the conjugate gradient method on Riemannian manifolds.

Let MM be a Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla, and let f∈C∞(M)f\in C^{\infty}(M).

Select p0∈Mp_{0}\in M, compute G0=−(grad ⁣f)p0G_{0}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{0}}, and set i=0i=0.

Compute \mathchar28949i\mathchar 28949\relax_{i} such that

It is easy to verify that ⟨Gi+1,\mathchar28956Gi⟩=0\langle G_{i+1},\mathchar 28956\relax G_{i}\rangle=0, for i≥0i\geq 0, where \mathchar28956\mathchar 28956\relax is the parallelism with respect to the geodesic from pip_{i} to pi+1p_{i+1}. By assumption, the function \mathchar28949↦f(exp⁡\mathchar28949Gi)\mathchar 28949\relax\mapsto f(\exp\mathchar 28949\relax G_{i}) is minimized at \mathchar28949i\mathchar 28949\relax_{i}. Therefore, we have 0=(d/dt)∣t=0\penaltyf(exp⁡(\mathchar28949i+t)Gi)=dfpi+1(\mathchar28956Gi)=⟨(grad ⁣f)pi+1,\mathchar28956Gi⟩0={(d/dt)|_{t=0}}\penalty{f(\exp(\mathchar 28949\relax_{i}+t)G_{i})}=df_{p_{i+1}}(\mathchar 28956\relax G_{i})=\langle(\mathop{\rm grad}\nolimits{\!f})_{p_{i+1}},\mathchar 28956\relax G_{i}\rangle. Thus the method of steepest descent on a Riemannian manifold has the same deficiency as its counterpart on a Euclidean space, i.e., it makes a ninety degree turn at every step.

The convergence of Algorithm 2.1 is linear. To prove this fact, we will make use of a standard theorem of the calculus, expressed in differential geometric language. The covariant derivative ∇ ⁣X ⁣f\nabla_{\!X}{\!f} of ff along XX is defined to be X ⁣fX{\!f}. For k=1k=1, 22, …, define ∇ ⁣Xk ⁣f=∇ ⁣X∘⋯∘∇ ⁣X ⁣f\nabla_{\!X}^{k}{\!f}=\nabla_{\!X}\circ\cdots\circ\nabla_{\!X}{\!f} (kk times), and let ∇ ⁣X0 ⁣f=f\nabla_{\!X}^{0}{\!f}=f.

Note that if MM is an analytic manifold with an analytic affine connection ∇\nabla, the representation

is valid for all X∈TpX\in T_{p} and all \mathchar28949∈[0,\mathchar28943)\mathchar 28949\relax\in[0,\mathchar 28943\relax). Helgason (?) provides a proof.

The following special cases of Remark 2.2 will be particularly useful. When n=2n=2, Equation (1) yields

The second order terms of ff near a critical point are required for the convergence proofs. Consider the second covariant differential ∇∇ ⁣f=∇2 ⁣f\nabla\nabla{\!f}=\nabla^{2}{\!f} of a smooth function f ⁣:M→Rf\colon M\to{\bf R}. If (U,x1,…,xn)(U,x^{1},\ldots,x^{n}) is a coordinate chart on MM, then at p∈Up\in U this (0,2)(0,2) tensor takes the form

Let MM be a complete Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla. Let f∈C∞(M)f\in C^{\infty}(M) have a nondegenerate critical point at p^{\hat{p}} such that the Hessian (d2 ⁣f)p^(d^{2}{\!f})_{\hat{p}} is positive definite. Let pip_{i} be a sequence of points in MM converging to p^{\hat{p}} and Hi∈TpiH_{i}\in T_{p_{i}} a sequence of tangent vectors such that

where \mathchar28949i\mathchar 28949\relax_{i} is chosen such that f(exp⁡\mathchar28949iHi)≤f(exp⁡\mathchar28949Hi)f(\exp\mathchar 28949\relax_{i}H_{i})\leq f(\exp\mathchar 28949\relax H_{i}) for all \mathchar28949≥0\mathchar 28949\relax\geq 0. Then there exists a constant EE and a \mathchar28946∈[0,1)\mathchar 28946\relax\in[0,1) such that for all i=0i=0, 11, …,

Proof.The proof is a generalization of the one given in Polak (?, p. 242ff) for the method of steepest descent on Euclidean space.

The existence of a convergent sequence is guaranteed by the smoothness of ff. If pj=p^p_{j}={\hat{p}} for some integer jj, the assertion becomes trivial; assume otherwise. By the smoothness of f ⁣f\!, there exists an open neighborhood UU of p^{\hat{p}} such that (∇2 ⁣f)p(\nabla^{2}{\!f})_{p} is positive definite for all p∈Up\in U. Therefore, there exist constants k>0k>0 and K≥k>0K\geq k>0 such that for all X∈TpX\in T_{p} and all p∈Up\in U,

Define Xi∈Tp^X_{i}\in T_{{\hat{p}}} by the relations exp⁡Xi=pi\exp X_{i}=p_{i}, i=0i=0, 11, … By assumption, dfp^=0df_{\hat{p}}=0 and from Equation (2), we have

Combining this equality with the inequalities of (5) yields

Next, use (6) with Schwarz’s inequality and the first inequality of (7) to obtain

Define the function Δ ⁣:Tp×R→R{\Delta}\colon T_{p}\times{\bf R}\to{\bf R} by the equation Δ(X,\mathchar28949)=f(exp⁡p\mathchar28949X)−f(p){\Delta}(X,\mathchar 28949\relax)=f(\exp_{p}\mathchar 28949\relax X)-f(p). By Equation (2), the second order Taylor formula, we have

Using assumption (ii) of the theorem along with (5) we establish for \mathchar28949≥0\mathchar 28949\relax\geq 0

We may now compute an upper bound for the rate of linear convergence \mathchar28946\mathchar 28946\relax. By assumption (i) of the theorem, \mathchar28949\mathchar 28949\relax must be chosen to minimize the right hand side of (9). This corresponds to choosing \mathchar28949=c∥(grad ⁣f)pi∥/K∥Hi∥\mathchar 28949\relax=c\|(\mathop{\rm grad}\nolimits{\!f})_{p_{i}}\|\big/K\|H_{i}\|. A computation reveals that

Applying (7) and (8) to this inequality and rearranging terms yields

where \mathchar28946=(1−(ck/K)2)\mathchar 28946\relax=\bigl(1-(ck/K)^{2}\bigr). By assumption, c∈(0,1]c\in(0,1] and 0<k≤K0<k\leq K, therefore \mathchar28946∈[0,1)\mathchar 28946\relax\in[0,1). (Note that Schwarz’s inequality bounds cc below unity.) From (10) it is seen that (f(pi)−f(p^))≤E\mathchar28946i\bigl(f(p_{i})-f({\hat{p}})\bigr)\leq E\mathchar 28946\relax^{i}, where E=(f(p0)−f(p^))E=\bigl(f(p_{0})-f({\hat{p}})\bigr). From (7) we conclude that for i=0i=0, 11, …,

If Algorithm 2.1 converges to a local minimum, it converges linearly.

The choice Hi=−(grad ⁣f)piH_{i}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{i}} yields c=1c=1 in the second assumption the Theorem 2.3, which establishes the corollary.

Let Sn−1S^{n-1} be the imbedded sphere in Rn{\bf R}^{n}, i.e., Sn−1={ x∈Rn:xTx=1 }S^{n-1}=\{\,x\in{\bf R}^{n}:x^{\scriptscriptstyle\rm T}x=1\,\}, where xTyx^{\scriptscriptstyle\rm T}y denotes the standard inner product on Rn{\bf R}^{n}, which induces a metric on Sn−1S^{n-1}. Geodesics on the sphere are great circles and parallel translation along geodesics is equivalent to rotating the tangent plane along the great circle. Let x∈Sn−1x\in S^{n-1} and h∈Txh\in T_{x} have unit length, and v∈Txv\in T_{x} be any tangent vector. Then

where \mathchar28956\mathchar 28956\relax is the parallelism along the geodesic t↦exp⁡tht\mapsto\exp th. Let QQ be an nn-by-nn positive definite symmetric matrix with distinct eigenvalues and define \mathchar28954 ⁣:Sn−1→R\mathchar 28954\relax\colon S^{n-1}\to{\bf R} by \mathchar28954(x)=xTQx\mathchar 28954\relax(x)=x^{\scriptscriptstyle\rm T}Qx. A computation shows that

The function \mathchar28954\mathchar 28954\relax has a unique minimum and maximum point at the eigenvectors corresponding to the smallest and largest eigenvalues of QQ, respectively. Because Sn−1S^{n-1} is geodesically complete, the method of steepest descent in the opposite direction of the gradient converges to the eigenvector corresponding to the smallest eigenvalue of QQ; likewise for the eigenvector corresponding to the largest eigenvalue. Chu (?) considers the continuous limit of this problem. A computation shows that \mathchar28954(x)\mathchar 28954\relax(x) is maximized along the geodesic exp⁡xth\exp_{x}th (∥h∥=1\|h\|=1) when acos⁡2t−bsin⁡2t=0a\cos 2t-b\sin 2t=0, where a=2xTQha=2x^{\scriptscriptstyle\rm T}Qh and b=\mathchar28954(x)−\mathchar28954(h)b=\mathchar 28954\relax(x)-\mathchar 28954\relax(h). Thus cos⁡t\cos t and sin⁡t\sin t may be computed with simple algebraic functions of aa and bb (which appear below in Algorithm 4.5). The results of a numerical experiment demonstrating the convergence of the method of steepest descent applied to maximizing the Rayleigh quotient on S20S^{20} are shown in Figure 1 on page 1.

Consider the function f(Θ)=trΘTQΘNf(\Theta)=\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N on the special orthogonal group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}), where QQ is a real symmetric matrix with distinct eigenvalues and NN is a real diagonal matrix with distinct diagonal elements. It will be convenient to identify tangent vectors in TΘT_{\Theta} with tangent vectors in TI≅so(n)T_{I}\cong\mathord{so}({n}), the tangent plane at the identity, via left translation. The gradient of ff (with respect to the negative Killing form of so(n)\mathord{so}({n}), scaled by 1/(n−2)1/(n-2)) at Θ∈\elvbitS ⁣O(n)\Theta\in\mathord{\elvbit S\!O}({n}) is Θ[H,N]\Theta[H,N], where H=AdΘT(Q)=ΘTQΘH=\mathop{\rm Ad}\nolimits_{\Theta^{\scriptscriptstyle\rm T}}(Q)=\Theta^{\scriptscriptstyle\rm T}Q\Theta. The group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) acts on the set of symmetric matrices by conjugation; the orbit of QQ under the action of \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) is an isospectral submanifold of the symmetric matrices. We seek a Θ^{\hat{\Theta}} such that f(Θ^)f({\hat{\Theta}}) is maximized. This point corresponds to a diagonal matrix whose diagonal entries are ordered similarly to those of NN. A related example is found in Smith (?), who considers the homogeneous space of matrices with fixed singular values, and in Chu (?).

The Levi-Civita connection on \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) is bi-invariant and invariant with respect to inversion; therefore, geodesics and parallel translation may be computed via matrix exponentiation of elements in so(n)\mathord{so}({n}) and left (or right) translation [Helgason, Chap. 2, Ex. 6]. The geodesic emanating from the identity in \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) in direction X∈so(n)X\in\mathord{so}({n}) is given by the formula exp⁡ItX=eXt\exp_{I}tX=e^{Xt}, where the right hand side denotes regular matrix exponentiation. The expense of geodesic minimization may be avoided if instead one uses Brockett’s estimate [Brockett:grad] for the step size. Given Ω∈so(n)\Omega\in\mathord{so}({n}), we wish to find t>0t>0 such that \mathchar28958(t)=trAde−Ωt(H)N\mathchar 28958\relax(t)=\mathop{\rm tr}\nolimits\mathop{\rm Ad}\nolimits_{e^{-\Omega t}}(H)N is minimized. Differentiating \mathchar28958\mathchar 28958\relax twice shows that \mathchar28958′(t)=−trAde−Ωt(adΩH)N\mathchar 28958\relax^{\prime}(t)=-\mathop{\rm tr}\nolimits\mathop{\rm Ad}\nolimits_{e^{-\Omega t}}(\mathop{\rm ad}\nolimits_{\Omega}H)N and \mathchar28958′′(t)=−trAde−Ωt(adΩH)adΩN\mathchar 28958\relax^{\prime\prime}(t)=-\mathop{\rm tr}\nolimits\mathop{\rm Ad}\nolimits_{e^{-\Omega t}}(\mathop{\rm ad}\nolimits_{\Omega}H)\mathop{\rm ad}\nolimits_{\Omega}N, where adΩA=[Ω,A]\mathop{\rm ad}\nolimits_{\Omega}A=[\Omega,A]. Hence, \mathchar28958′(0)=2trHΩN\mathchar 28958\relax^{\prime}(0)=2\mathop{\rm tr}\nolimits H\Omega N and, by Schwarz’s inequality and the fact that Ad\mathop{\rm Ad}\nolimits is an isometry, ∣\mathchar28958′′(t)∣≤∥adΩH∥  ∥adΩN∥|\mathchar 28958\relax^{\prime\prime}(t)|\leq\|\mathop{\rm ad}\nolimits_{\Omega}H\|\;\|\mathop{\rm ad}\nolimits_{\Omega}N\|. We conclude that if \mathchar28958′(0)>0\mathchar 28958\relax^{\prime}(0)>0, then \mathchar28958′\mathchar 28958\relax^{\prime} is nonnegative on the interval

which provides an estimate for the step size of Step 1 in Algorithm 2.1. The results of a numerical experiment demonstrating the convergence of the method of steepest descent (ascent) in \elvbitS ⁣O(20)\mathord{\elvbit S\!O}({20}) using this estimate are shown in Figure 3.

Newton’s method on Riemannian manifolds

As in the optimization of functions on Euclidean space, quadratic convergence can be obtained if the second order terms of the Taylor expansion are used appropriately. In this section we present Newton’s algorithm on Riemannian manifolds, prove that its convergence is quadratic, and provide examples. Whereas the convergence proof for the method of steepest descent relies upon the Taylor expansion of the function f ⁣f\!, the convergence proof for Newton’s method will rely upon the Taylor expansion of the one-form dfdf. Note that Newton’s method has a counterpart in the theory of constrained optimization, as described by, e.g., Fletcher (?), Bertsekas (?, ?), or Dunn (?, ?). The Newton method presented in this section has only local convergence properties. There is a theory of global Newton methods on Euclidean space and computational complexity; see the work of Hirsch and Smale (?), Smale (?, ?), and Shub and Smale (?, ?).

Let MM be an n-n\hbox{-}dimensional Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla, let \mathchar28950\mathchar 28950\relax be a C∞C^{\infty} one-form on MM, and let pp in MM be such that the bilinear form (∇ ⁣\mathchar28950)p ⁣:Tp×Tp→R({\nabla\!\mathchar 28950\relax})_{p}\colon T_{p}\times T_{p}\to{\bf R} is nondegenerate. Then, by abuse of notation, we have the pair of isomorphisms

with the forward map defined by X↦(∇ ⁣X\mathchar28950)p=(∇ ⁣\mathchar28950)p(\mathchar513,X)X\mapsto(\nabla_{\!X}\mathchar 28950\relax)_{p}=({\nabla\!\mathchar 28950\relax})_{p}(\mathchar 513\relax,X), which is nonsingular. The notation (∇ ⁣\mathchar28950)p({\nabla\!\mathchar 28950\relax})_{p} will henceforth be used for both the bilinear form defined by the covariant differential of \mathchar28950\mathchar 28950\relax evaluated at pp and the homomorphism from TpT_{p} to Tp∗T_{p}^{*} induced by this bilinear form. In case of an isomorphism, the inverse can be used to compute a point in MM where \mathchar28950\mathchar 28950\relax vanishes, if such a point exists. The case \mathchar28950=df\mathchar 28950\relax=df will be of particular interest, in which case ∇ ⁣\mathchar28950=∇2 ⁣f{\nabla\!\mathchar 28950\relax}=\nabla^{2}{\!f}. Before expounding on these ideas, we make the following remarks.

This remark can be generalized in the following way.

The remark follows by applying Remark 3.1 and the Taylor’s theorem of real analysis to the function \mathchar28949↦(\mathchar28956\mathchar28949−1\mathchar28950p\mathchar28949)(A)\mathchar 28949\relax\mapsto(\mathchar 28956\relax_{\mathchar 28949\relax}^{-1}\mathchar 28950\relax_{p_{\mathchar 28949\relax}})(A) for any AA in TpT_{p}.

Remarks 3.1 and 3.2 can be generalized to C∞C^{\infty} tensor fields, but we will only require Remark 3.2 for case n=2n=2 to make the following observation.

Let \mathchar28950\mathchar 28950\relax be a one-form on MM such that for some p^{\hat{p}} in MM, \mathchar28950p^=0\mathchar 28950\relax_{\hat{p}}=0. Given any pp in a normal neighborhood of p^{\hat{p}}, we wish to find XX in TpT_{p} such that exp⁡pX=p^\exp_{p}X={\hat{p}}. Consider the Taylor expansion of \mathchar28950\mathchar 28950\relax about pp, and let \mathchar28956\mathchar 28956\relax be the parallel translation along the unique geodesic joining pp to p^{\hat{p}}. We have by our assumption that \mathchar28950\mathchar 28950\relax vanishes at p^{\hat{p}}, and from Equation (14) for n=2n=2,

If the bilinear form (∇ ⁣\mathchar28950)p({\nabla\!\mathchar 28950\relax})_{p} is nondegenerate, the tangent vector XX may be approximated by discarding the higher order terms and solving the resulting linear equation

This approximation is the basis of the following algorithm.

Let MM be a complete Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla, and let \mathchar28950\mathchar 28950\relax be a C∞C^{\infty} one-form on MM.

Select p0∈Mp_{0}\in M such that (∇ ⁣\mathchar28950)p0({\nabla\!\mathchar 28950\relax})_{p_{0}} is nondegenerate, and set i=0i=0.

(assume that (∇ ⁣\mathchar28950)pi({\nabla\!\mathchar 28950\relax})_{p_{i}} is nondegenerate), increment ii, and repeat.

It can be shown that if p0p_{0} is chosen suitably close (within the so-called domain of attraction) to a point p^{\hat{p}} in MM such that \mathchar28950p^=0\mathchar 28950\relax_{\hat{p}}=0 and (∇ ⁣\mathchar28950)p^({\nabla\!\mathchar 28950\relax})_{\hat{p}} is nondegenerate, then Algorithm 3.3 converges quadratically to p^{\hat{p}}. The following theorem holds for general one-forms; we will consider the case where \mathchar28950\mathchar 28950\relax is exact.

Let f∈C∞(M)f\in C^{\infty}(M) have a nondegenerate critical point at p^{\hat{p}}. Then there exists a neighborhood UU of p^{\hat{p}} such that for any p0∈Up_{0}\in U, the iterates of Algorithm 3.3 for \mathchar28950=df\mathchar 28950\relax=df are well defined and converge quadratically to p^{\hat{p}}.

The proof of this theorem is a generalization of the corresponding proof for Euclidean spaces, with an extra term containing the Riemannian curvature tensor (which of course vanishes in the latter case).

Proof.If pj=p^p_{j}={\hat{p}} for some integer jj, the assertion becomes trivial; assume otherwise. Define Xi∈TpiX_{i}\in T_{p_{i}} by the relations p^=exp⁡Xi{\hat{p}}=\exp X_{i}, i=0i=0, 11, …, so that d(pi,p^)=∥Xi∥d(p_{i},{\hat{p}})=\|X_{i}\| (n.b. this convention is opposite that used in the proof of Theorem 2.3). Consider the geodesic triangle with vertices pip_{i}, pi+1p_{i+1}, and p^{\hat{p}}, and sides exp⁡tXi\exp tX_{i} from pip_{i} to p^{\hat{p}}, exp⁡tHi\exp tH_{i} from pip_{i} to pi+1p_{i+1}, and exp⁡tXi+1\exp tX_{i+1} from pi+1p_{i+1} to p^{\hat{p}}, for t∈t\in. Let \mathchar28956\mathchar 28956\relax be the parallelism with respect to the side exp⁡tHi\exp tH_{i} between pip_{i} and pi+1p_{i+1}. There exists a unique tangent vector Ξi{\Xi}_{i} in TpiT_{p_{i}} defined by the equation

(Ξi{\Xi}_{i} may be interpreted as the amount by which vector addition fails). If we use the definition Hi=−(∇2 ⁣f)pi−1dfpiH_{i}=-(\nabla^{2}{\!f})_{p_{i}}^{-1}df_{p_{i}} of Algorithm 3.3, apply the isomorphism (∇2 ⁣f)pi ⁣:Tpi→Tpi∗(\nabla^{2}{\!f})_{p_{i}}\colon T_{p_{i}}\to T_{p_{i}}^{*} to both sides of Equation (15), we obtain the equation

By Taylor’s theorem, there exists an \mathchar28939∈\mathchar 28939\relax\in such that

By the smoothness of ff and gg, there exists an \mathchar28943>0\mathchar 28943\relax>0 and constants \mathchar28942′\mathchar 28942\relax^{\prime}, \mathchar28942′′\mathchar 28942\relax^{\prime\prime}, \mathchar28942′′′\mathchar 28942\relax^{\prime\prime\prime}, all greater than zero, such that whenever pp is in the convex normal ball B\mathchar28943(p^){B_{\mathchar 28943\relax}({\hat{p}})},

where the induced norm on Tp∗T_{p}^{*} is used in all three cases. Taking the norm of both sides of Equation (18), applying the triangle inequality to the right hand side, and using the fact that parallel translation is an isometry, we obtain the inequality

The length of Ξi{\Xi}_{i} can be bounded by a cubic expression in d(pi,p^)d(p_{i},{\hat{p}}) by considering the distance between the points exp⁡(Hi+\mathchar28956−1Xi+1)\exp(H_{i}+\mathchar 28956\relax^{-1}X_{i+1}) and exp⁡Xi+1=p^\exp X_{i+1}={\hat{p}}. Given p∈Mp\in M, \mathchar28943>0\mathchar 28943\relax>0 small enough, let aa, v∈Tpv\in T_{p} be such that ∥a∥+∥v∥≤\mathchar28943\|a\|+\|v\|\leq\mathchar 28943\relax, and let \mathchar28956\mathchar 28956\relax be the parallel translation with respect to the geodesic from pp to q=exp⁡paq=\exp_{p}a. Karcher (?, App. C2.2) shows that

where KK is the sectional curvature of MM along any section in the tangent plane at any point near pp.

If (∇2 ⁣f)p^(\nabla^{2}{\!f})_{\hat{p}} is positive (negative) definite and Algorithm 3.3 converges to p^{\hat{p}}, then Algorithm 3.3 converges quadratically to a local minimum (maximum) of ff.

Let Sn−1S^{n-1} and \mathchar28954(x)=xTQx\mathchar 28954\relax(x)=x^{\scriptscriptstyle\rm T}Qx be as in Example 2.5. It will be convenient to work with the coordinates x1x^{1}, …, xnx^{n} of the ambient space Rn{\bf R}^{n}, treat the tangent plane TxSn−1T_{x}S^{n-1} as a vector subspace of Rn{\bf R}^{n}, and make the identification TxSn−1≅Tx∗Sn−1T_{x}S^{n-1}\cong T_{x}^{*}S^{n-1} via the metric. In this coordinate system, geodesics on the sphere obey the second order differential equation x¨k+xk=0\ddot{x}^{k}+x^{k}=0, k=1k=1, …, nn. Thus the Christoffel symbols are given by Γijk=\mathchar28942ijxk\Gamma_{ij}^{k}=\mathchar 28942\relax_{ij}x^{k}, where \mathchar28942ij\mathchar 28942\relax_{ij} is the Kronecker delta. The ijijth component of the second covariant differential of \mathchar28954\mathchar 28954\relax at xx in Sn−1S^{n-1} is given by (cf. Equation (4))

Let uu be a tangent vector in TxSn−1T_{x}S^{n-1}. A linear operator A ⁣:Rn→RnA\colon{\bf R}^{n}\to{\bf R}^{n} defines a linear operator on the tangent plane TxSn−1T_{x}S^{n-1} for each xx in Sn−1S^{n-1} such that

If AA is invertible as an endomorphism of the ambient space Rn{\bf R}^{n}, the solution to the linear equation A\mathchar513u=vA\mathchar 513\relax u=v for uu, vv in TxSn−1T_{x}S^{n-1} is

For Newton’s method, the direction HiH_{i} in TxSn−1T_{x}S^{n-1} is the solution of the equation

Combining Equations (12), (21), and (22), we obtain

where \mathchar28939i=1/xiT(Q−\mathchar28954(xi)I)−1xi\mathchar 28939\relax_{i}=1\big/x_{i}^{\scriptscriptstyle\rm T}(Q-\mathchar 28954\relax(x_{i})I)^{-1}x_{i}. This gives rise to the following algorithm for computing eigenvectors of the symmetric matrix QQ.

Let QQ be a real symmetric nn-by-nn matrix.

Select x0x_{0} in Rn{\bf R}^{n} such that x0Tx0=1x_{0}^{\scriptscriptstyle\rm T}x_{0}=1, and set i=0i=0.

and set \mathchar28939i=1/xiTyi\mathchar 28939\relax_{i}=1\big/x_{i}^{\scriptscriptstyle\rm T}y_{i}.

The quadratic convergence guaranteed by Theorem 3.4 is in fact too conservative for Algorithm 3.7. As evidenced by Figure 1, Algorithm 3.7 converges cubically.

If \mathchar28949\mathchar 28949\relax is a distinct eigenvalue of the symmetric matrix QQ, and Algorithm 3.7 converges to the corresponding eigenvector x^{\hat{x}}, then it converges cubically.

Proof 1.In the coordinates x1x^{1}, …, xnx^{n} of the ambient space Rn{\bf R}^{n}, the ijkijkth component of the third covariant differential of \mathchar28954\mathchar 28954\relax at x^{\hat{x}} is −2\mathchar28949x^k\mathchar28942ij-2\mathchar 28949\relax{\hat{x}}^{k}\mathchar 28942\relax_{ij}. Let X∈Tx^Sn−1X\in T_{\hat{x}}S^{n-1}. Then (∇3\mathchar28954)x^(\mathchar513,X,X)=0(\nabla^{3}\mathchar 28954\relax)_{\hat{x}}(\mathchar 513\relax,X,X)=0 and the second order terms on the right hand side of Equation (18) vanish at the critical point. The proposition follows from the smoothness of \mathchar28954\mathchar 28954\relax.

Proof 2.The proof follows Parlett’s (?, p. 72ff) proof of cubic convergence for the Rayleigh quotient iteration. Assume that for all ii, xi≠x^x_{i}\neq{\hat{x}}, and denote \mathchar28954(xi)\mathchar 28954\relax(x_{i}) by \mathchar28954i\mathchar 28954\relax_{i}. For all ii, there is an angle \mathchar28960i\mathchar 28960\relax_{i} and a unit length vector uiu_{i} defined by the equation xi=x^cos⁡\mathchar28960i+uisin⁡\mathchar28960ix_{i}={\hat{x}}\cos\mathchar 28960\relax_{i}+u_{i}\sin\mathchar 28960\relax_{i}, such that x^Tui=0{\hat{x}}^{\scriptscriptstyle\rm T}u_{i}=0. By Algorithm 3.7

where \mathchar28940i=cos⁡\mathchar28946i−sin⁡\mathchar28946i/\mathchar28946i\mathchar 28940\relax_{i}=\cos\mathchar 28946\relax_{i}-\sin\mathchar 28946\relax_{i}/\mathchar 28946\relax_{i}. Therefore,

The following equalities and low order approximations in terms of the small quantities \mathchar28949−\mathchar28954i\mathchar 28949\relax-\mathchar 28954\relax_{i}, \mathchar28946i\mathchar 28946\relax_{i}, and \mathchar28960i\mathchar 28960\relax_{i} are straightforward to establish: \mathchar28949−\mathchar28954i=(\mathchar28949−\mathchar28954(ui))sin⁡2\mathchar28960i{\mathchar 28949\relax-\mathchar 28954\relax_{i}}={(\mathchar 28949\relax-\mathchar 28954\relax(u_{i}))}\sin^{2}\mathchar 28960\relax_{i}, \mathchar28946i2=cos⁡2\mathchar28960isin⁡2\mathchar28960i+h.o.t.\mathchar 28946\relax_{i}^{2}=\cos^{2}\mathchar 28960\relax_{i}\sin^{2}\mathchar 28960\relax_{i}+{\rm h.o.t.}, \mathchar28939i=(\mathchar28949−\mathchar28954i)+h.o.t.\mathchar 28939\relax_{i}={(\mathchar 28949\relax-\mathchar 28954\relax_{i})}+{\rm h.o.t.}, and \mathchar28940i=−\mathchar28946i2/3+h.o.t.\mathchar 28940\relax_{i}=-\mathchar 28946\relax_{i}^{2}/3+{\rm h.o.t.} Thus, the denominator of the large fraction in Equation (23) is of order unity and the numerator is of order sin⁡2\mathchar28960i\sin^{2}\mathchar 28960\relax_{i}. Therefore, we have

If Algorithm 3.7 is simplified by replacing Step 2 with

then we obtain the Rayleigh quotient iteration. These two algorithms differ by the method in which they use the vector yi=(Q−\mathchar28954(xi)I)−1xiy_{i}=(Q-\mathchar 28954\relax(x_{i})I)^{-1}x_{i} to compute the next iterate on the sphere. Algorithm 3.7 computes the point HiH_{i} in TxiSn−1T_{x_{i}}S^{n-1} where yiy_{i} intersects this tangent plane, then computes xi+1x_{i+1} via the exponential map of this vector (which “rolls” the tangent vector HiH_{i} onto the sphere). The Rayleigh quotient iteration computes the intersection of yiy_{i} with the sphere itself and takes this intersection to be xi+1x_{i+1}. The latter approach approximates Algorithm 3.7 up to quadratic terms when xix_{i} is close to an eigenvector. Algorithm 3.7 is more expensive to compute than—though of the same order as—the Rayleigh quotient iteration; thus, the RQI is seen to be an efficient approximation of Newton’s method.

If the exponential map is replaced by the chart v∈Tx↦(x+v)/∥x+v∥∈Sn−1v\in T_{x}\mapsto(x+v)/\|x+v\|\in S^{n-1}, Shub (?) shows that a corresponding version of Newton’s method is equivalent to the RQI.

Let Θ\Theta, QQ, H=AdΘT(Q)H=\mathop{\rm Ad}\nolimits_{\Theta^{\scriptscriptstyle\rm T}}(Q), and Ω\Omega be as in Example 2.6. The second covariant differential of f(Θ)=trΘTQΘNf(\Theta)=\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N may be computed either by polarization of the second order term of trAde−Ωt(H)N\mathop{\rm tr}\nolimits\mathop{\rm Ad}\nolimits_{e^{-\Omega t}}(H)N, or by covariant differentiation of the differential dfΘ=−tr[H,N]ΘT(\mathchar513)df_{\Theta}=-\mathop{\rm tr}\nolimits[H,N]\Theta^{\scriptscriptstyle\rm T}(\mathchar 513\relax):

where XX, Y∈so(n)Y\in\mathord{so}({n}). To compute the direction ΘX∈TΘ\Theta X\in T_{\Theta}, X∈so(n)X\in\mathord{so}({n}), for Newton’s method, we must solve the equation (∇2 ⁣f)Θ(Θ\mathchar513,ΘX)=dfΘ(\nabla^{2}{\!f})_{\Theta}(\Theta\mathchar 513\relax,\Theta X)=df_{\Theta}, which yields the linear equation

The linear operator LΘ ⁣:so(n)→so(n)L_{\Theta}\colon\mathord{so}({n})\to\mathord{so}({n}) is self-adjoint for all Θ\Theta and, in a neighborhood of the maximum, negative definite. Therefore, standard iterative techniques in the vector space so(n)\mathord{so}({n}), such as the classical conjugate gradient method, may be used to solve this equation near the maximum. The results of a numerical experiment demonstrating the convergence of Newton’s method in \elvbitS ⁣O(20)\mathord{\elvbit S\!O}({20}) are shown in Figure 3. As can be seen, Newton’s method converged within round-off error in 2 iterations.

If Newton’s method applied to the function f(Θ)=trΘTQΘNf(\Theta)=\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N converges to the point Θ^{\hat{\Theta}} such that AdΘ^T(Q)=H∞=\mathchar28939N\mathop{\rm Ad}\nolimits_{{\hat{\Theta}}^{\scriptscriptstyle\rm T}}(Q)=H_{\infty}=\mathchar 28939\relax N, \mathchar28939∈R\mathchar 28939\relax\in{\bf R}, then it converges cubically.

Proof.By covariant differentiation of ∇2 ⁣f ⁣\nabla^{2}{\!f}\!, the third covariant differential of ff at Θ\Theta evaluated at the tangent vectors ΘX\Theta X, ΘY\Theta Y, ΘZ∈TΘ\Theta Z\in T_{\Theta}, XX, YY, Z∈so(n)Z\in\mathord{so}({n}), is

If H=\mathchar28939NH=\mathchar 28939\relax N, \mathchar28939∈R\mathchar 28939\relax\in{\bf R}, then (∇3 ⁣f)Θ(\mathchar513,ΘX,ΘX)=0(\nabla^{3}{\!f})_{\Theta}(\mathchar 513\relax,\Theta X,\Theta X)=0. Therefore, the second order terms on the right hand side of Equation (18) vanish at the critical point. The remark follows from the smoothness of ff.

This remark illuminates how rapid convergence of Newton’s method applied to the function ff can be achieved in some instances. If Eij∈so(n)E_{ij}\in\mathord{so}({n}) (i<ji<j) is a matrix with entry +1+1 at element (i,j)(i,j), −1-1 at element (j,i)(j,i), and zero elsewhere, X=∑i<jxijEijX=\sum_{i<j}x^{ij}E_{ij}, H=diag(h1,…,hn)H=\mathop{\rm diag}\nolimits(h_{1},\ldots,h_{n}), and N=diag(\mathchar289511,…,\mathchar28951n)N=\mathop{\rm diag}\nolimits(\mathchar 28951\relax_{1},\ldots,\mathchar 28951\relax_{n}), then

If the hih_{i} are close to \mathchar28939\mathchar28951i\mathchar 28939\relax\mathchar 28951\relax_{i}, \mathchar28939∈R\mathchar 28939\relax\in{\bf R}, for all ii, then (∇3 ⁣f)Θ(\mathchar513,ΘX,ΘX)(\nabla^{3}{\!f})_{\Theta}(\mathchar 513\relax,\Theta X,\Theta X) may be small, yielding a fast rate of quadratic convergence.

Let \mathchar28953\mathchar 28953\relax be the projection of a square matrix onto its diagonal, and let QQ be as above. Consider the maximization of the function f(Θ)=trH\mathchar28953(H)f(\Theta)=\mathop{\rm tr}\nolimits H\mathchar 28953\relax(H), H=AdΘT(Q)H=\mathop{\rm Ad}\nolimits_{\Theta^{\scriptscriptstyle\rm T}}(Q), on the special orthogonal group. This is equivalent to minimizing the sum of the squares of the off-diagonal elements of HH (Golub and Van Loan (?) derive the classical Jacobi method). The gradient of this function at Θ\Theta is 2Θ[H,\mathchar28953(H)]2\Theta[H,\mathchar 28953\relax(H)] [Chu:grad]. By repeated covariant differentiation of f ⁣f\!, we find

where II is the identity matrix and XX, YY, Z∈so(n)Z\in\mathord{so}({n}). It is easily shown that if [H,\mathchar28953(H)]=0[H,\mathchar 28953\relax(H)]=0, i.e., if HH is diagonal, then (∇3 ⁣f)Θ(\mathchar513,ΘX,ΘX)=0(\nabla^{3}{\!f})_{\Theta}(\mathchar 513\relax,\Theta X,\Theta X)=0 (n.b. \mathchar28953(adXH)=0\mathchar 28953\relax(\mathop{\rm ad}\nolimits_{X}H)=0). Therefore, by the same argument as the proof of Remark 3.11, Newton’s method applied to the function trH\mathchar28953(H)\mathop{\rm tr}\nolimits H\mathchar 28953\relax(H) converges cubically.

Conjugate gradient method on Riemannian manifolds

The method of steepest descent provides an optimization technique which is relatively inexpensive per iteration, but converges relatively slowly. Each step requires the computation of a geodesic and a gradient direction. Newton’s method provides a technique which is more costly both in terms of computational complexity and memory requirements, but converges relatively rapidly. Each step requires the computation of a geodesic, a gradient, a second covariant differential, and its inverse. In this section we describe the conjugate gradient method, which has the dual advantages of algorithmic simplicity and superlinear convergence.

Hestenes and Stiefel (?) first used conjugate gradient methods to compute the solutions of linear equations, or, equivalently, to compute the minimum of a quadratic form on Rn{\bf R}^{n}. This approach can be modified to yield effective algorithms to compute the minima of nonquadratic functions on Rn{\bf R}^{n}. In particular, Fletcher and Reeves (?) and Polak and Ribière [Polak] provide algorithms based upon the assumption that the second order Taylor expansion of the function to be minimized sufficiently approximates this function near the minimum. In addition, Davidon, Fletcher, and Reeves developed the variable metric methods [Davidon, Fletcher, Polak], but these will not be discussed here. One noteworthy feature of conjugate gradient algorithms on Rn{\bf R}^{n} is that when the function to be minimized is quadratic, they compute its minimum in no more than nn iterations, i.e., they have the property of quadratic termination.

The conjugate gradient method on Euclidean space is uncomplicated. Given a function f ⁣:Rn→Rf\colon{\bf R}^{n}\to{\bf R} with continuous second derivatives and a local minimum at x^{\hat{x}}, and an initial point x0∈Rnx_{0}\in{\bf R}^{n}, the algorithm is initialized by computing the (negative) gradient direction G0=H0=−(grad ⁣f)x0G_{0}=H_{0}=-(\mathop{\rm grad}\nolimits{\!f})_{x_{0}}. The recursive part of the algorithm involves (i) a line minimization of ff along the affine space xi+tHix_{i}+tH_{i}, t∈Rt\in{\bf R}, where the minimum occurs at, say, t=\mathchar28949it=\mathchar 28949\relax_{i}, (ii) computation of the step xi+1=xi+\mathchar28949iHix_{i+1}=x_{i}+\mathchar 28949\relax_{i}H_{i}, (iii) computation of the (negative) gradient Gi+1=−(grad ⁣f)xi+1G_{i+1}=-(\mathop{\rm grad}\nolimits{\!f})_{x_{i+1}}, and (iv) computation of the next direction for line minimization,

where \mathchar28941i\mathchar 28941\relax_{i} is chosen such that HiH_{i} and Hi+1H_{i+1} conjugate with respect to the Hessian matrix of ff at x^{\hat{x}}. When ff is a quadratic form represented by the symmetric positive definite matrix QQ, the conjugacy condition becomes HiTQHi+1=0H_{i}^{\scriptscriptstyle\rm T}QH_{i+1}=0; therefore, \mathchar28941i=−HiTQGi+1/HiTQHi\mathchar 28941\relax_{i}=-H_{i}^{\scriptscriptstyle\rm T}QG_{i+1}/H_{i}^{\scriptscriptstyle\rm T}QH_{i}. It can be shown in this case that the sequence of vectors GiG_{i} are all mutually orthogonal and the sequence of vectors HiH_{i} are all mutually conjugate with respect to QQ. Using these facts, the computation of \mathchar28941i\mathchar 28941\relax_{i} may be simplified with the observation that \mathchar28941i=∥Gi+1∥2/∥Gi∥2\mathchar 28941\relax_{i}=\|G_{i+1}\|^{2}/\|G_{i}\|^{2} (Fletcher-Reeves) or \mathchar28941i=(Gi+1−Gi)TGi+1/∥Gi∥2\mathchar 28941\relax_{i}=(G_{i+1}-G_{i})^{\scriptscriptstyle\rm T}G_{i+1}/\|G_{i}\|^{2} (Polak-Ribière). When ff is not quadratic, it is assumed that its second order Taylor expansion sufficiently approximates ff in a neighborhood of the minimum, and the \mathchar28941i\mathchar 28941\relax_{i} are chosen so that HiH_{i} and Hi+1H_{i+1} are conjugate with respect to the matrix (\mathchar289922 ⁣f/\mathchar28992xi\mathchar28992xj)(xi+1)(\mathchar 28992\relax^{2}{\!f}/\mathchar 28992\relax x^{i}\mathchar 28992\relax x^{j})(x_{i+1}) of second partial derivatives of ff at xi+1x_{i+1}. It may be desirable to “reset” the algorithm by setting Hi+1=Gi+1H_{i+1}=G_{i+1} every rrth step (frequently, r=nr=n) because the conjugate gradient method does not, in general, converge in nn steps if the function ff is nonquadratic. However, if ff is closely approximated by a quadratic function, the reset strategy may be expected to converge rapidly, whereas the unmodified algorithm may not be.

Many of these ideas have straightforward generalizations in the geometry of Riemannian manifolds; several of them have already appeared. We need only make the following definition.

Given a tensor field \mathchar28961\mathchar 28961\relax of type (0,2)(0,2) on MM such that for pp in MM, \mathchar28961p ⁣:Tp×Tp→R\mathchar 28961\relax_{p}\colon T_{p}\times T_{p}\to{\bf R} is a symmetric bilinear form, the tangent vectors XX and YY in TpT_{p} are said to be \mathchar28961p\mathchar 28961\relax_{p}-conjugate or conjugate with respect to \mathchar28961p\mathchar 28961\relax_{p} if \mathchar28961p(X,Y)=0\mathchar 28961\relax_{p}(X,Y)=0.

An outline of the conjugate gradient method on Riemannian manifolds may now be given. Let MM be an n-n\hbox{-}dimensional Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla, and let f∈C∞(M)f\in C^{\infty}(M) have a local minimum at p^{\hat{p}}. As in the conjugate gradient method on Euclidean space, choose an initial point p0p_{0} in MM and compute the (negative) gradient directions G0=H0=−(grad ⁣f)p0G_{0}=H_{0}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{0}} in Tp0T_{p_{0}}. The recursive part of the algorithm involves minimizing ff along the geodesic t↦exp⁡pitHit\mapsto\exp_{p_{i}}tH_{i}, t∈Rt\in{\bf R}, making a step along the geodesic to the minimum point pi+1=exp⁡\mathchar28949iHip_{i+1}=\exp\mathchar 28949\relax_{i}H_{i}, computing Gi+1=−(grad ⁣f)pi+1G_{i+1}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{i+1}}, and computing the next direction in Tpi+1T_{p_{i+1}} for geodesic minimization. This direction is given by the formula

where \mathchar28956\mathchar 28956\relax is the parallel translation with respect to the geodesic step from pip_{i} to pi+1p_{i+1}, and \mathchar28941i\mathchar 28941\relax_{i} is chosen such that \mathchar28956Hi\mathchar 28956\relax H_{i} and Hi+1H_{i+1} are (∇2 ⁣f)pi+1(\nabla^{2}{\!f})_{p_{i+1}}-conjugate, i.e.,

Equation (26) is, in general, expensive to use because the second covariant differential of ff appears. However, we can use the Taylor expansion of dfdf about pi+1p_{i+1} to compute an efficient approximation of \mathchar28941i\mathchar 28941\relax_{i}. By the fact that pi=exp⁡pi+1(−\mathchar28949i\mathchar28956Hi)p_{i}=\exp_{p_{i+1}}(-\mathchar 28949\relax_{i}\mathchar 28956\relax H_{i}) and by Equation (14), we have

Therefore, the numerator of the right hand side of Equation (26) multiplied by the step size \mathchar28949i\mathchar 28949\relax_{i} can be approximated by the equation

because, by definition, Gi=−(grad ⁣f)piG_{i}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{i}}, i=0i=0, 11, …, and for any XX in Tpi+1T_{p_{i+1}}, (\mathchar28956dfpi)(X)=dfpi(\mathchar28956−1X)=⟨(grad ⁣f)pi,\mathchar28956−1X⟩=⟨\mathchar28956(grad ⁣f)pi,X⟩(\mathchar 28956\relax df_{p_{i}})(X)=df_{p_{i}}(\mathchar 28956\relax^{-1}X)=\langle(\mathop{\rm grad}\nolimits{\!f})_{p_{i}},\mathchar 28956\relax^{-1}X\rangle=\langle\mathchar 28956\relax(\mathop{\rm grad}\nolimits{\!f})_{p_{i}},X\rangle. Similarly, the denominator of the right hand side of Equation (26) multiplied by \mathchar28949i\mathchar 28949\relax_{i} can be approximated by the equation

because ⟨Gi+1,\mathchar28956Hi⟩=0\langle G_{i+1},\mathchar 28956\relax H_{i}\rangle=0 by the assumption that ff is minimized along the geodesic t↦exp⁡tHit\mapsto\exp tH_{i} at t=\mathchar28949it=\mathchar 28949\relax_{i}. Combining these two approximations with Equation (26), we obtain a formula for \mathchar28941i\mathchar 28941\relax_{i} that is relatively inexpensive to compute:

Of course, as the connection ∇\nabla is compatible with the metric gg, the denominator of Equation (27) may be replaced, if desired, by ⟨\mathchar28956Gi,\mathchar28956Hi⟩\langle\mathchar 28956\relax G_{i},\mathchar 28956\relax H_{i}\rangle.

The conjugate gradient method may now be presented in full.

Let MM be a complete Riemannian manifold with Riemannian structure gg and Levi-Civita connection ∇\nabla, and let ff be a C∞C^{\infty} function on MM.

Select p0∈Mp_{0}\in M, compute G0=H0=−(grad ⁣f)p0G_{0}=H_{0}=-(\mathop{\rm grad}\nolimits{\!f})_{p_{0}}, and set i=0i=0.

Compute \mathchar28949i\mathchar 28949\relax_{i} such that

Set pi+1=exp⁡pi\mathchar28949iHip_{i+1}=\exp_{p_{i}}\mathchar 28949\relax_{i}H_{i}.

where \mathchar28956\mathchar 28956\relax is the parallel translation with respect to the geodesic from pip_{i} to pi+1p_{i+1}. If i≡n−1 ( mod  n)i\equiv n-1\ (\bmod\ n), set Hi+1=Gi+1H_{i+1}=G_{i+1}. Increment ii, and go to Step 1.

Let f∈C∞(M)f\in C^{\infty}(M) have a nondegenerate critical point at p^{\hat{p}} such that the Hessian (d2 ⁣f)p^(d^{2}{\!f})_{\hat{p}} is positive definite. Let pip_{i} be a sequence of points in MM generated by Algorithm 4.2 converging to p^{\hat{p}}. Then there exists a constant \mathchar28946>0\mathchar 28946\relax>0 and an integer NN such that for all i≥Ni\geq N,

Note that linear convergence is already guaranteed by Theorem 2.3.

Proof.If pj=p^p_{j}={\hat{p}} for some integer jj, the assertion becomes trivial; assume otherwise. Recall that if X1X_{1}, …, XnX_{n} is some basis for Tp^T_{\hat{p}}, then the map exp⁡p^(a1X1+⋯+anXn)→\mathchar28951(a1,…,an)\exp_{\hat{p}}(a^{1}X_{1}+\cdots+a^{n}X_{n})\mathrel{\mathop{\kern 0.0pt\to}\limits^{\mathchar 28951\relax}}(a^{1},\ldots,a^{n}) defines a set of normal coordinates at p^{\hat{p}}. Let Np^N_{\hat{p}} be a normal neighborhood of p^{\hat{p}} on which the normal coordinates \mathchar28951=(x1,…,xn)\mathchar 28951\relax=(x^{1},\ldots,x^{n}) are defined. Consider the map \mathchar28951∗f=deff∘\mathchar28951−1 ⁣:Rn→R{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf}\mathrel{\mathop{\kern 0.0pt=}\limits^{\scriptscriptstyle\rm def}}f\circ\mathchar 28951\relax^{-1}\colon{\bf R}^{n}\to{\bf R}. By the smoothness of ff and exp⁡\exp, \mathchar28951∗f{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf} has a critical point at 0∈Rn0\in{\bf R}^{n} such that the Hessian matrix of \mathchar28951∗f{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf} at 00 is positive definite. Indeed, by the fact that (dexp⁡)0=id(d\exp)_{0}=\mathop{\rm id}\nolimits, the ijijth component of the Hessian matrix of \mathchar28951∗f{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf} at 00 is given by (d2 ⁣f)p^(Xi,Xj)(d^{2}{\!f})_{\hat{p}}(X_{i},X_{j}).

Therefore, there exists a neighborhood UU of 0∈Rn0\in{\bf R}^{n}, a constant \mathchar28946′>0\mathchar 28946\relax^{\prime}>0, and an integer NN, such that for any initial point x0∈Ux_{0}\in U, the conjugate gradient method on Euclidean space (with resets) applied to the function \mathchar28951∗f{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf} yields a sequence of points xix_{i} converging to 00 such that for all i≥Ni\geq N,

See Polak (?, p. 260ff) for a proof of this fact. Let x0=\mathchar28951(p0)x_{0}=\mathchar 28951\relax(p_{0}) in UU be an initial point. Because exp⁡\exp is not an isometry, Algorithm 4.2 yields a different sequence of points in Rn{\bf R}^{n} than the classical conjugate gradient method on Rn{\bf R}^{n} (upon equating points in a neighborhood of p^∈M{\hat{p}}\in M with points in a neighborhood of 0∈Rn0\in{\bf R}^{n} via the normal coordinates).

Nevertheless, the amount by which exp⁡\exp fails to preserve inner products can be quantified via the Gauss Lemma and Jacobi’s equation; see, e.g., Cheeger and Ebin (?), or the appendices of Karcher (?). Let tt be small, and let X∈Tp^X\in T_{\hat{p}} and Y∈TtX(Tp^)≅Tp^Y\in T_{tX}(T_{\hat{p}})\cong T_{\hat{p}} be orthonormal tangent vectors. The amount by which the exponential map changes the length of tangent vectors is approximated by the Taylor expansion

where KK is the sectional curvature of MM along the section in Tp^T_{\hat{p}} spanned by XX and YY. Therefore, near p^{\hat{p}} Algorithm 4.2 differs from the conjugate gradient method on Rn{\bf R}^{n} applied to the function \mathchar28951∗f{\mathchar 28951\relax_{\mskip-1.5mu*}\mskip-2.0muf} only by third order and higher terms. Thus both algorithms have the same rate of convergence. The theorem follows.

Applied to the Rayleigh quotient on the sphere, the conjugate gradient method provides an efficient technique to compute the eigenvectors corresponding to the largest or smallest eigenvalue of a real symmetric matrix. Let Sn−1S^{n-1} and \mathchar28954(x)=xTQx\mathchar 28954\relax(x)=x^{\scriptscriptstyle\rm T}Qx be as in Examples 2.5 and 3.6. From Algorithm 4.2, we have the following algorithm.

Let QQ be a real symmetric nn-by-nn matrix.

Select x0x_{0} in Rn{\bf R}^{n} such that x0Tx0=1x_{0}^{\scriptscriptstyle\rm T}x_{0}=1, compute G0=H0=(Q−\mathchar28954(x0)I)x0G_{0}=H_{0}=(Q-\mathchar 28954\relax(x_{0})I)x_{0}, and set i=0i=0.

Compute cc, ss, and v=1−c=s2/(1+c)v=1-c=s^{2}/(1+c), such that \mathchar28954(xic+his)\mathchar 28954\relax(x_{i}c+h_{i}s) is maximized, where c2+s2=1c^{2}+s^{2}=1 and hi=Hi/∥Hi∥h_{i}=H_{i}/\|H_{i}\|. This can be accomplished by geodesic minimization, or by the formulae

where a=2xiTQhia=2x_{i}^{\scriptscriptstyle\rm T}Qh_{i}, b=xiTQxi−hiTQhib=x_{i}^{\scriptscriptstyle\rm T}Qx_{i}-h_{i}^{\scriptscriptstyle\rm T}Qh_{i}, and r=√(a2+b2)r=\surd(a^{2}+b^{2}).

If i≡n−1 ( mod  n)i\equiv n-1\ (\bmod\ n), set Hi+1=Gi+1H_{i+1}=G_{i+1}. Increment ii, and go to Step 1.

The convergence rate of this algorithm to the eigenvector corresponding to the largest eigenvalue of QQ is given by Theorem 4.3. This algorithm requires one matrix-vector multiplication (relatively inexpensive when QQ is sparse), one geodesic minimization or computation of \mathchar28954(hi)\mathchar 28954\relax(h_{i}), and 10n10n flops per iteration. The results of a numerical experiment demonstrating the convergence of Algorithm 4.5 on S20S^{20} are shown in Figure 1. A graphical illustration of the conjugate gradient algorithm’s performance on the 22-sphere is shown in Figure 2. Stereographic projection is used to map the sphere onto the plane. There are maximum points at the north and south poles, located at the center of the image and at infinity, respectively. There are minimum points and saddle points antipodally located along the equator, which is shown by the thin gray circle. The light gray contours represent the level sets of the function xTQxx^{\scriptscriptstyle\rm T}Qx on S2⊂R3S^{2}\subset{\bf R}^{3}, where Q=diag(1,9,10)Q=\mathop{\rm diag}\nolimits(1,9,10). The conjugate gradient method was used to compute the sequence of points at the top of the figure, and the method of steepest descent was used to compute the sequence of points at the bottom. Fuhrmann and Liu (?) provide a conjugate gradient algorithm for the Rayleigh quotient on the sphere that uses an azimuthal projection onto tangent planes.

Let Θ\Theta, QQ, and HH be as in Examples 2.6 and 3.10. As before, the natural Riemannian structure of \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) is used, whereby geodesics and parallel translation along geodesics are given by Equations (14) and (15) of Chapter 2. Brockett’s estimate (n.b. Equation (13)) for the step size may be used in Algorithm 4.2. The results of a numerical experiment demonstrating the convergence of the conjugate gradient method in \elvbitS ⁣O(20)\mathord{\elvbit S\!O}({20}) are shown in Figure 3.

Chapter 5 Application to Adaptive Filtering

Principal component analysis and optimization methods are used to solve a wide variety of engineering problems. Optimization methods, such as gradient following, are often used when the solution to a given problem corresponds to the minimizing value of a real valued function, such as a square error. There are many terms for principal component analysis—the eigenvalue problem in algebra, the Karhunen-Loève expansion in stochastic processes, and factor analysis in statistics—indicating the extent of its application. Many applications use the fact that the best low rank approximation of a symmetric or Hermitian linear mapping of a vector space onto itself is given by the sum of outer products of eigenvectors corresponding to the largest eigenvalues of the linear map.

In the case of linear systems modeling, a given state space model may have an equivalent realization of lower dimension with identical input/output characteristics. Computing this lower dimensional realization is called state space reduction, and the state space model of smallest possible dimension is called a minimal realization. ? uses the singular value decomposition of the observability and controllability matrices of a specified finite-dimensional state space model to derive a minimal realization. The process of computing a state space model given its input/output characteristics is called the identification problem. This problem is related to the field of adaptive control, where control methods that use incomplete, inaccurate, or arbitrarily time-varying models are considered. ? use the singular value decomposition of a block Hankel matrix constructed with measured input/output data to identity linear systems. On the other hand, optimization methods for error minimization have long been used for system identification and adaptive control [Lion, Astrom, CraigHS, SlotineLi, TosunogluTesar], as well as stochastic methods that use correlation data from input and output measurements [Akaike, Baram, KorenburgHunter].

Furthermore, the computation of the dominant modes and buckling modes of mechanical systems are important problems in mechanics. These problems may be expressed naturally either as infinite-dimensional eigenvalue problems or as optimization problems on an infinite dimensional Hilbert space. Approximate solutions to these problems may be obtained via finite element methods [Hughes], which rely upon methods from numerical linear algebra discussed below, such as Lanczos methods. Projected conjugate gradient algorithms such as Fried’s (?) algorithm have also been proposed.

In the past fifteen years, principle component techniques have become increasingly important in the field of adaptive signal processing. This is due primarily to the introduction of new methods for signal parameter estimation which rely upon the signal’s covariance structure. Notably, ? developed a signal subspace algorithm called MUSIC, an acronym for multiple signal classification, which from measurements taken from a completely arbitrary sensor array provides accurate unbiased estimates of a variety of signal parameters, such as number of signals, their directions of arrival, their center frequency, and other parameters. The central idea of MUSIC is to exploit the sensor geometry and the signal subspace determined by the data to compute the desired signal parameters. ? demonstrate how related techniques may be used when the background noise is nonisotropic.

With the MUSIC algorithm, the signal subspace is first computed from the canonical eigenvalue decomposition of the data covariance matrix. Then, knowledge of the array geometry is used to compute peaks of a function defined on a parameter space. This search is in general computationally expensive. ? have proposed an algorithm which retains many advantages of the MUSIC algorithm with a significantly reduced computational complexity. This algorithm is called ESPRIT, an acronym for estimation of signal parameters by rotational invariant techniques. It is important to note that the rotational invariance refers to an intrinsic property of the algorithm implied by a restriction on the sensor array; it does not refer to the invariant methods discussed in Chapter 2. It is assumed that the sensor array is comprised of a pair of subarrays that are equivalent with respect to translation. That is, there exists a translation which maps one subarray into the other. Except for this restriction, the sensor array may be arbitrary. This restriction implies that the signal subspace of the array measurements is invariant with respect to a certain complex rotation of the sensor outputs.

The signal subspace methods used in the adaptive algorithms like MUSIC and ESPRIT are especially important in the field of adaptive signal processing. In these contexts, the signal subspaces may be thought to vary slowly with time, and it is desired to compute the time varying eigenvalue decomposition of the covariance information. Of course, one could use the symmetric QR algorithm at each time step to obtain this decomposition; however, this is prohibitively expensive, especially when only a few of the largest or smallest eigenvalues are desired, and there is a wide choice of other techniques available. In their review, ? provide a thorough and descriptive list of many methods. They are careful to distinguish between methods that are of complexity O(nk2)O(nk^{2}) and complexity O(n2k)O(n^{2}k), where nn is the dimension of the total space and kk is the dimension of the signal subspace to be tracked.

Several of the covariance matrix updating procedures rely upon rank one updates [Owsley, Karhunen, Karasalo, Schreiber]. There is a well-known theory [Wilkinson] of computing the updated eigenvalue decomposition of a symmetric matrix updated by a rank one addition, and algorithms for this procedure are available [Bunchetal]. However, this method requires knowledge of the full eigenvalue decomposition to compute the rank one updated decomposition; the algorithm is O(n3)O(n^{3}) complexity, which is the same order as the full QR algorithm, thus limiting its attractiveness. If the covariance matrix has at most kk nonzero eigenvalues, then this algorithm may be performed in O(n2k)O(n^{2}k) steps [Yu]. This case holds approximately when the signal-to-noise ratio is high, and when a “forgetting” factor is introduced into the covariance matrix updates.

Other updating procedures are also important. For example, a rank one update of the covariance matrix corresponds to the addition of one column to a data matrix. The updated QR decomposition of the data matrix is often desired. ? provide several now classical algorithms for this task. ? designed and built a wafer scale integrated circuit utilizing on-chip CORDIC transformations to compute the updated Cholesky factorization of a data matrix. ? provide an updating method for the singular value decomposition of the data matrix. ? describe the use of updated Toeplitz matrices in linear prediction theory.

Gradient-based algorithms are also widely used. Some of the first adaptive filtering algorithms, such as the LMS (least mean square) and SER (sequential regression) algorithms [WidrowStearns] are gradient-based techniques. These two algorithms provide a method to compute a weighting vector for sensor outputs that provides the minimal variance of the error between the weighted measurements and a desired response. These gradient techniques, as well as the ones given by ?, ?, and ?, all have a fixed step length, which of course affects their convergence rates. Other gradient-based algorithms are used to track the eigenvalue decomposition of a slowly varying covariance matrix. So called stochastic gradient methods [Larimore, Hu] are derived with the goal of maximizing the Rayleigh quotient corresponding to the data covariance matrix.

The conjugate gradient method has been suggested by many researchers as an appropriate tool for subspace tracking [BradFletch, Chenetal, FuhrLiu], as well as for finite element methods [Fried]. However, only Fuhrmann and Liu realized that the formula \mathchar28941i=∥Gi+1∥2/∥Gi∥2\mathchar 28941\relax_{i}=\|G_{i+1}\|^{2}/\|G_{i}\|^{2} used to ensure conjugate steps in the Euclidean case is not valid in the general case of the constrained or Riemannian conjugate gradient method, as discussed in Chapter 4, Section 4. They provide a conjugate gradient algorithm on the sphere that depends upon the choice of an azimuthal projection onto tangent planes. This algorithm is also distinguished from the others in that the steps are constrained to the sphere, whereas the others take steps in the ambient Euclidean space, then project onto the constraint surface.

In this chapter we present a new gradient-based algorithm for subspace tracking that draws on the ideas developed in the preceding three chapters. As discussed in Chapter 3, Section 2, the eigenvectors corresponding to the extreme eigenvalues of a symmetric matrix can be obtained by maximizing the generalized Rayleigh quotient. The Riemannian version of the conjugate gradient method, Algorithm 4.2, can be implemented by an efficient O(nk2)O(nk^{2}) algorithm by exploiting the homogeneous space structure of the Stiefel manifold covered in Chapter 2, Section 3. The resulting conjugate gradient algorithm can be modified so that it is useful in the subspace tracking context described in the aforementioned references.

In this section a general data model will be described that is used in much of the literature on adaptive subspace tracking. A discrete time model is used, although this is not necessary; continuous models for subspace tracking are possible [Brockett:subspace]. We imagine a collection of mm signals or states that span a subspace to be identified. To each signal or state there is associated a real value at times t=0t=0, 11, … Many applications require phase information and therefore use complex numbers, but for simplicity we consider only the real case; the complex version of this treatment and the algorithms to be presented are obvious generalizations. Denote the iith signal or state (1≤i≤m1\leq i\leq m) by sis^{i}, whose value at time tt is written as si(t)s^{i}(t) or stis^{i}_{t}. Hereafter we shall simply refer to states, although either signals and states may be used. Thus the states can be viewed as a vector ss with components sis^{i} in the m-m\hbox{-}dimensional affine space Rm{\bf R}^{m}; the designation of quiescent values for the states makes this a vector space, which we shall endow with the standard metric. The vector ss is called the state vector.

A measurement model for the state vector is now provided. It is assumed that there are nn sensors whose outputs are denoted by the real numbers x1x^{1}, …, xnx^{n}, or simply by the data vector x∈Rnx\in{\bf R}^{n}. The data vector at time tt is given by the equation

where AA is an nn-by-mm matrix, possibly parameterized, and wtw_{t} is a Gaussian independent random sequence.

Some simplifying assumptions about the state vector ss will be made. It is assumed that sts_{t} is a wide-sense stationary random sequence that is ergodic in the mean and ergodic in covariance, i.e.,

Furthermore, it is assumed for simplicity that E[st]=0E[s_{t}]=0. Then the covariance matrix Rxx=E[xtTxtT]R_{xx}=E[x_{t}^{\vphantom{{\scriptscriptstyle\rm T}}}x_{t}^{\scriptscriptstyle\rm T}] of xx is given by

where RssR_{ss} and RwwR_{ww} are the covariance matrices of ss and ww, respectively. The goal is to estimate the principal invariant subspaces of RxxR_{xx}. Several of the covariance estimation techniques mentioned above use an averaging approach to compute an estimate of RxxR_{xx}. For example, the estimate

which is easily implemented as a sequence of rank one updates, is often used. ? provides an algorithm for estimating the covariance matrix of a signal which requires fewer computations that this averaging technique. Standard iterative techniques such as those mentioned above may be used to compute the principal invariant subspaces of R^xx\hat{R}_{xx}.

The nonstationary case

If the sequence sts_{t} is nonstationary but has second order statistics that vary slowly with respect to some practical time scale, then many applications require estimates of the principal invariant subspaces of the covariance matrix RxxR_{xx} at any given time. This is known as the tracking problem. One common approach is to form an nn-by-ll data matrix XX from a moving window of the data vectors. I.e., the jjth column of XX is the data vector xt+jx_{t+j}, where t+1t+1 is time of the first sample in the moving window and t+lt+l is the last. Typically ll is greater than nn. The estimate of RxxR_{xx} at time t+lt+l is

Other approach include the so-called fading memory estimate given by the equations

where ∥⋅∥\|\cdot\| is the Frobenius norm, or the equation

where \mathchar28939\mathchar 28939\relax and \mathchar28940\mathchar 28940\relax are real-valued time sequences.

Numerical considerations

On a finite precision machine, there is a loss in accuracy that comes with squaring the data and using the estimated covariance matrix R^xx\hat{R}_{xx} explicitly. It is therefore recommended that the data matrix XX be used directly. By Equation (1), the eigenvectors of R^xx\hat{R}_{xx} correspond to the left singular vectors of XX. To reduce the computational effort involved in the iterative eigenvalue algorithms, the matrix XX is often decomposed at each time step into the QR decomposition X=LQX=LQ, where LL is an nn-by-ll lower triangular matrix and QQ is an ll-by-ll orthogonal matrix. Because only the left singular vectors of XX are desired, the orthogonal matrix QQ is not required, which allows for a reduction of the computational effort. However, there must be a method for updating the QR decomposition of XX at each time step.

Conjugate gradient method for largest eigenvalues

Computing the extreme eigenvalues and associated eigenvectors of a symmetric matrix is an important problem in general, and specifically in subspace tracking. Perhaps the best known and most widely used algorithm for this task is the Lanczos algorithm, which may be derived by maximizing the Rayleigh quotient [GVL]. The convergence properties of the unmodified Lanczos method on a finite-precision machine are poor, however, because there is an increasing loss of orthogonality among the Lanczos vectors as the algorithm proceeds and Ritz pairs converge. Several modifications have been proposed which yield a successful algorithm, such as complete reorthogonalization, which is prohibitively expensive, selective reorthogonalization [ParlettScott], block Lanczos methods, and ss-step Lanczos methods [CullumWill]. The latter methods are an iterative version of the block Lanczos method for computing the largest eigenvalues. Of necessity these algorithms are more costly than the unmodified Lanczos algorithm. ? provide a detailed analysis of practical Lanczos methods as well as a thorough bibliography. Xu and Kailath (?, ?) provide fast Lanczos methods whose speed depends upon a special structure of the covariance matrix.

Given a symmetric nn-by-nn matrix AA, ? considers the optimization problem

over all nn-by-kk matrices XX and all nn-by-ll matrices YY (k+l≤nk+l\leq n) such that XTX=IX^{\scriptscriptstyle\rm T}X=I and YTY=IY^{\scriptscriptstyle\rm T}Y=I, i.e., X∈Vn,kX\in{V_{n,k}} and Y∈Vn,lY\in{V_{n,l}}. In her paper it is noted that an (s+1)(s+1)-step Lanczos method generates eigenvector estimates that are as least as good as an ss-step constrained conjugate gradient algorithm. However, the conjugate gradient algorithm presented there is linearly convergent and does not exploit the natural Riemannian structure of the manifold as does Algorithm 4.2 of Chapter 4. See also ?. ? also use the Lanczos method for computing the largest eigenvalue of a symmetric matrix. Alternatively, ? propose an algorithm for computing the dominant eigenvalue of a positive definite matrix, which is based upon the power method. This algorithm is useful for rough approximation of the spectral radius of a positive definite matrix. A different point of view is offered by ?, who considers an eigenvalue optimization problem on a set of parameterized symmetric matrices.

Let Vn,k{V_{n,k}} be the compact Stiefel manifold of nn-by-kk matrices (k≤nk\leq n) with orthonormal columns. Recall from Chapter 3, Section 2 that given an nn-by-nn symmetric matrix AA and a kk-by-kk diagonal matrix NN, the generalized Rayleigh quotient is the function \mathchar28954 ⁣:Vn,k→R\mathchar 28954\relax\colon{V_{n,k}}\to{\bf R} defined by p↦trpT ⁣ApNp\mapsto\mathop{\rm tr}\nolimits p^{\scriptscriptstyle\rm T}\!ApN. As described in Corollary 2.4, Chapter 3, if the extreme eigenvalues of AA and the diagonal elements of NN are distinct, then this function has 2k2^{k} maxima where the corresponding eigenvectors of AA comprise the columns of the maximum points, modulo kk choices of sign. Let us assume that our application requires the eigenvectors of a data covariance matrix corresponding to the largest eigenvalues, so that the diagonal elements of NN are all positive.

As discussed in Chapter 2, Section 3, the Stiefel manifold can be identified with the reductive homogeneous space \elvibO(n)/\elvibO(n−k)\mathord{\elvib O}({n})/\mathord{\elvib O}({n-k}). Let G=\elvibO(n)G=\mathord{\elvib O}({n}), M=Vn,kM={V_{n,k}}, o=(I0)o=\bigl({I\atop 0}\bigr) the origin in MM, and H=\elvibO(n−k)H=\mathord{\elvib O}({n-k}) the isotropy group at oo. Denote the Lie algebras of GG and HH by g{g} and h{h}, respectively, and let \mathchar28953 ⁣:G→M\mathchar 28953\relax\colon G\to M be the projection g↦g⋅og\mapsto g\cdot o. The tangent plane of MM at oo can be identified with the vector subspace m=h⊥{m}={h}^{\perp} of g{g}, where orthogonality is with respect to the canonical invariant metric on G/HG/H.

Let g∈Gg\in G be a coset representative of p∈Mp\in M, i.e., p=g⋅op=g\cdot o. Then the tangent plane TpMT_{p}M can be identified with the vector subspace Adg(m)\mathop{\rm Ad}\nolimits_{g}({m}) of g{g}. The choice of coset representative is not unique, so neither is this subspace. Given x∈mx\in{m}, xp=Adg(x)∈Adg(m)x_{p}=\mathop{\rm Ad}\nolimits_{g}(x)\in\mathop{\rm Ad}\nolimits_{g}({m}), the unique geodesic through o∈Mo\in M in the direction corresponding to xp∈Adg(m)x_{p}\in\mathop{\rm Ad}\nolimits_{g}({m}) is given by expt⋅p=gext⋅oe^{x_{p}t}\cdot p=ge^{xt}\cdot o, where exte^{xt} denotes matrix exponentiation. As shown in the proof of Proposition 2.2, the first order term of \mathchar28954(gext⋅o)\mathchar 28954\relax(ge^{xt}\cdot o) can be used to compute the gradient of the generalized Rayleigh quotient at p∈Mp\in M. Given the coset representative gg of pp, we have

From a computational standpoint, Equation (\refeq:raygengrad′)(\ref{eq:raygengrad}^{\prime}) is preferable to Equation (\refeq:raygengrad)(\ref{eq:raygengrad}) because it can be computed with kk matrix vector multiplications, whereas Equation (2) requires nn matrix-vector multiplications.

Similarly, by Equation (1), Chapter 4, the second order term of \mathchar28954(gext⋅o)\mathchar 28954\relax(ge^{xt}\cdot o) can be used to compute the second covariant differential of \mathchar28954\mathchar 28954\relax at pp evaluated at (X,X)(X,X), where XX is the tangent vector in TpMT_{p}M corresponding to x∈mx\in{m}. Because the second covariant differential at pp is a symmetric bilinear form on TpMT_{p}M, polarization of (∇2 ⁣\mathchar28954)p(X,X)({\nabla^{2}\!\mathchar 28954\relax})_{p}(X,X) may be used to obtain

where Y∈TpMY\in T_{p}M corresponds to y∈my\in{m}.

Both Equations (\refeq:raygengrad′)(\ref{eq:raygengrad}^{\prime}) and (\refeq:d2rho)(\ref{eq:d2rho}) will be used to perform the Riemannian version of the conjugate gradient method of the generalized Rayleigh quotient given in Algorithm 4.2.

The choice of coset representatives

Given pp in M=Vn,kM={V_{n,k}}, a coset representative gg in G=\elvibO(n)G=\mathord{\elvib O}({n}) must be computed to exploit the underlying structure of the homogeneous space using the methods described above. In the case of the Stiefel manifold, a coset representative of pp is simply any nn-by-nn orthogonal matrix whose first kk columns are the kk columns of pp, as easily seen by examining the equality p=g⋅op=g\cdot o. The choice of coset representative is completely arbitrary, thus it is desirable to choose a representative that is least expensive in terms of both computational effort and storage requirements. For example, the element gg in GG could be computed by performing the Gram-Schmidt orthogonalization process, yielding a real nn-by-nn orthogonal matrix. This procedure requires O(n2k)O(n^{2}k) operations and O(n2)O(n^{2}) storage, which are relatively expensive.

The QR decomposition, however, satisfies our requirements for low cost. Recall that for any nn-by-kk matrix FF (k≤nk\leq n), there exists an nn-by-nn orthogonal matrix QQ and an nn-by-kk upper triangular matrix RR such that

There is an efficient algorithm, called Householder orthogonalization, for computing the QR decomposition of FF employing Householder reflections. Specifically, we have

where the PiP_{i}, i=1i=1, …, kk are Householder reflections of the form

\mathchar28951i∈Rn\mathchar 28951\relax_{i}\in{\bf R}^{n}, and \mathchar28940i=2/\mathchar28951iT\mathchar28951i\mathchar 28940\relax_{i}=2/\mathchar 28951\relax_{i}^{\scriptscriptstyle\rm T}\mathchar 28951\relax_{i}. This algorithm requires k2(n−k/3)+O(nk)k^{2}(n-k/3)+O(nk) operations and requires only knkn storage units because the orthogonal matrix QQ may be stored as a sequence of vectors used for the Householder reflections—the so-called factored form. See ? for details and explanations of these facts.

Let FF be an nn-by-kk matrix (n≤kn\leq k) with orthonormal columns. Then the QR decomposition of FF yields an upper triangular matrix RR whose off-diagonal elements vanish and diagonal elements are ±1\pm 1.

Therefore, the QR decomposition provides an inexpensive method of computing a coset representative of any point pp in Vn,k{V_{n,k}}. Specifically, let p∈Vn,kp\in{V_{n,k}} have the QR decomposition p=QRp=QR, QT=Pk…P1Q^{\scriptscriptstyle\rm T}=P_{k}\ldots P_{1}, and partition RR as R=( ⁣R10 ⁣)R=\bigl(\!{R_{1}\atop 0}\!\bigr), where R1R_{1} is a kk-by-kk upper triangular matrix. Then the coset representative gg of pp is given by

As discussed above, the choice of a coset representative provides an identification of the tangent plane TpMT_{p}M with the vector subspace m{m}. The conjugate gradient algorithm computes a sequence of points pip_{i} in MM, all of which necessarily have different coset representatives, as well as a sequence of tangent vectors Hi∈TpiMH_{i}\in T_{p_{i}}M which are compared by parallel translation. Thus it will be necessary to compute how the change in the coset representative of a point changes the elements in m{m} corresponding to tangent vectors at a point. Let g1g_{1} and g2g_{2} be coset representative of the point pp in MM, and let XX be a tangent vector in TpMT_{p}M. The elements g1g_{1} and g2g_{2} in GG define elements x1x_{1} and x2x_{2} in m{m} by the equation

Given x1x_{1}, we wish to compute x2x_{2} efficiently. By assumption, there exists an h∈Hh\in H such that g2=g1hg_{2}=g_{1}h. Then

The vector subspace m{m} is AdH\mathop{\rm Ad}\nolimits_{H}-invariant; therefore, x2x_{2} may be computed by conjugating x1x_{1} by g1g_{1}, then by g2−1g_{2}^{-1}.

Any element xx in m{m} and hh in HH can be partitioned as

It is easy to see that if x2=Adh(x1)x_{2}=\mathop{\rm Ad}\nolimits_{h}(x_{1}), then a2=a1a_{2}=a_{1} and b2=h′b1b_{2}=h^{\prime}b_{1}. Thus elements x∈mx\in{m}, i.e., nn-by-nn matrices of the form given above, may be stored as nn-by-kk matrices of the form

where aa is a kk-by-kk skew-symmetric matrix and bb is an (n−k)(n-k)-by-kk matrix.

Geodesic computation

As discussed previously, the unique geodesic through p=g⋅op=g\cdot o in MM in direction X∈TpMX\in T_{p}M is given by the formula

where x∈mx\in{m} corresponds to X∈TpMX\in T_{p}M via Adg\mathop{\rm Ad}\nolimits_{g}. Thus geodesics in M=Vn,kM={V_{n,k}} may be computed with matrix exponentiation. The problem of computing the accurate matrix exponential of a general matrix in gl(n)\mathord{gl}({n}) is difficult [nineteendubious]. However, there are stable, accurate, and efficient algorithms for computing the matrix exponential of symmetric and skew-symmetric matrices that exploit the canonical symmetric or skew-symmetric decompositions (Golub & Van Loan 1983; Ward & Gray 1978a, 1978b). Furthermore, elements in m{m} have a special block structure that may be exploited to substantially reduce the required computational effort.

For the remainder of this section, make the stronger assumption on the dimension of Vn,k{V_{n,k}} that 2k≤n2k\leq n. Let x=(ab −bT0)x=\bigl({a\atop b}\>{-b^{\scriptscriptstyle\rm T}\atop 0}\bigr) be an element in m{m}, and let the (n−k)(n-k)-by-kk matrix bb have the QR decomposition b=QRb=QR, where QQ is an orthogonal matrix in \elvibO(n−k)\mathord{\elvib O}({n-k}) and R=( ⁣R10 ⁣)R=\bigl(\!{R_{1}\atop 0}\!\bigr) such that R1R_{1} is a kk-by-kk upper triangular matrix. Then the following equality holds:

Thus, matrix exponentiation of the nn-by-nn skew-symmetric matrix xx may be obtained by exponentiating the 2k2k-by-2k2k skew-symmetric matrix

Computing the canonical decomposition of an nn-by-nn skew-symmetric matrix requires about 8n3+O(n2)8n^{3}+O(n^{2}) operations [WG:1]. In the case of computing the canonical decomposition of elements in m{m}, this is reduced to 8(2k)3+O(k2)8(2k)^{3}+O(k^{2}) operations, plus the cost of k2(n−4k/3)+O(nk)k^{2}(n-4k/3)+O(nk) operations to perform the QR decomposition of bb.

Let pp in Vn,k{V_{n,k}} have the QR decomposition p=ΨDp=\Psi D, where ΨT=(Pk…P1)∈\elvibO(n)\Psi^{\scriptscriptstyle\rm T}=(P_{k}\ldots P_{1})\in\mathord{\elvib O}({n}) and DD is upper triangular such that its top kk-by-kk block D1D_{1} is of the form D1=diag(±1,…,±1)D_{1}=\mathop{\rm diag}\nolimits(\pm 1,\ldots,\pm 1). Given x∈mx\in{m}, let xx be partitioned as above such that bb has the QR decomposition b=QRb=QR, where Q∈\elvibO(n−k)Q\in\mathord{\elvib O}({n-k}) and RR is upper triangular with top kk-by-kk block R1R_{1}. Let x′x^{\prime} be the 2k2k-by-2k2k reduced skew-symmetric matrix obtained from xx by the method described in the previous paragraph. Let the 2k2k-by-2k2k matrix x′x^{\prime} have the canonical skew-symmetric decomposition

where \mathchar28963∈\elvibO(2k)\mathchar 28963\relax\in\mathord{\elvib O}({2k}) and ss is of the form

Then the geodesic t↦exp⁡ptX=gext⋅ot\mapsto\exp_{p}tX=ge^{xt}\cdot o may be computed as follows:

Note well that these matrices are not partitioned conformably, and that

These steps may all be performed with O(nk)O(nk) storage, and the computational requirements are summarized in Table 1. One particularly appealing feature of the geodesic computation of Equation (4) is that within the accuracy of this computation, orthogonality of the columns of pip_{i} is maintained for all ii. Thus it is never necessary to reorthogonalize the columns of pip_{i} as in the Lanczos algorithm.

Step direction computation

Let pi∈Mp_{i}\in M, i≥0i\geq 0, be the iterates generated by Algorithm 4.2 applied to the generalized Rayleigh quotient. The successive direction for geodesic minimization at each iterate pi+1∈Mp_{i+1}\in M is given by the equation

where GiG_{i} the the gradient of the function at the point pip_{i}, and \mathchar28956\mathchar 28956\relax is the parallelism with respect to the geodesic from pip_{i} to pi+1p_{i+1}. Let gig_{i}, i≥0i\geq 0, be the coset representative of pip_{i} chosen to be the QR decomposition of pip_{i} as described above, let hi∈mh_{i}\in{m} correspond to Hi∈TpiMH_{i}\in T_{p_{i}}M via Adgi\mathop{\rm Ad}\nolimits_{g_{i}}, and let \mathchar28949i\mathchar 28949\relax_{i} be the step length along this curve such that pi+1=exp⁡pi\mathchar28949iHip_{i+1}=\exp_{p_{i}}\mathchar 28949\relax_{i}H_{i}. The computation of \mathchar28956Hi\mathchar 28956\relax H_{i} is straightforward because this this is simply the direction of the curve t↦exp⁡pitHit\mapsto\exp_{p_{i}}tH_{i} at pi+1p_{i+1}, i.e.,

Thus the element hih_{i} in m{m} corresponding to HiH_{i} in TpiMT_{p_{i}}M via Adgi\mathop{\rm Ad}\nolimits_{g_{i}} is the same as the element in m{m} corresponding to \mathchar28956Hi\mathchar 28956\relax H_{i} in Tpi+1MT_{p_{i+1}}M via Ad(giehi\mathchar28949i)\mathop{\rm Ad}\nolimits_{(g_{i}e^{h_{i}\mathchar 28949\relax_{i}})}. However, the coset representative gi+1g_{i+1} chosen for the point pi+1p_{i+1} is in general not equal to the coset representative giehi\mathchar28949ig_{i}e^{h_{i}\mathchar 28949\relax_{i}} of pi+1p_{i+1}, so the element hih_{i} must be transformed as

This ensures that hih_{i} is represented in the basis of Tpi+1MT_{p_{i+1}}M implied by the conventions previously established. Equation (6) is thus the only computation necessary to compute a representation of \mathchar28956Hi\mathchar 28956\relax H_{i} in m{m} with respect to the coset representative gi+1g_{i+1}.

As discussed at the end of Section 2, Chapter 2, computing the parallel translation of an arbitrary tangent vector along a geodesic requires the solution of the set of structured 12k(k−1)+(n−k)k{\mathchoice{{\textstyle{1\over 2}}}{{\textstyle{1\over 2}}}{{\scriptstyle{1\over 2}}}{{\scriptscriptstyle{1\over 2}}}}k(k-1)+(n-k)k linear differential equations given in Equation (16), Chapter 2. In the cases k≠1k\neq 1 or nn, the solution to these differential equations cannot be expressed as the exponential of an nn-by-nn matrix. Therefore, it appears to be impractical to use parallel translation to compute \mathchar28941i\mathchar 28941\relax_{i} of Equation (5).

Instead, we fall back upon the demand that subsequent directions be conjugate with respect to the second covariant differential of the function at a point, and use the formula

This avoids the computation of \mathchar28956Gi\mathchar 28956\relax G_{i}, which is used in Equation (5), but introduces computation given by Equation (3), which requires O(nk2)O(nk^{2}) operations plus 2k2k matrix-vector multiplications. The cost of computing \mathchar28941i\mathchar 28941\relax_{i} by Equation (7) is summarized in Table 2. The cost of changing the coset representative using Equation (6) is summarized in Table 3.

The stepsize

Once the direction for geodesic minimization HiH_{i} is computed, a stepsize \mathchar28949i\mathchar 28949\relax_{i} must be computed such that

In the case k=1k=1 (Vn,1=Sn−1{V_{n,1}}=S^{n-1}), Algorithm 4.5, Chapter 4, provides an explicit formula for the stepsize (which requires one matrix vector multiplication and a few O(n)O(n) inner products). In the case k=nk=n (Vn,n=\elvibO(n){V_{n,n}}=\mathord{\elvib O}({n})), ? provides an estimate of the stepsize, which is covered in Example 2.6, Chapter 4. Consider this approach in the general context 1≤k≤n1\leq k\leq n. Given p∈Mp\in M, g∈Gg\in G a coset representative of pp, and x∈mx\in{m}, we wish to compute t>0t>0 such that the function t↦\mathchar28958(t)=\mathchar28954(pt)=trptT ⁣AptNt\mapsto\mathchar 28958\relax(t)=\mathchar 28954\relax(p_{t})=\mathop{\rm tr}\nolimits p_{t}^{\scriptscriptstyle\rm T}\!Ap_{t}N is minimized, where pt=gext⋅op_{t}=ge^{xt}\cdot o. Differentiating \mathchar28958\mathchar 28958\relax twice shows that

Hence we have \mathchar28958′(0)=2trpT ⁣AgxoN\mathchar 28958\relax^{\prime}(0)=2\mathop{\rm tr}\nolimits p^{\scriptscriptstyle\rm T}\!AgxoN, which may be computed with nk2nk^{2} flops if the matrix ApAp is known. By Schwarz’s inequality and the fact that Ad\mathop{\rm Ad}\nolimits is an isometry, we have

The term ∥[x,oNoT]∥\bigl\|[x,oNo^{\scriptscriptstyle\rm T}]\bigr\| is easily computed, but there is no efficient, i.e., O(nk2)O(nk^{2}), method to compute the term ∥[Adgx,A]∥\bigl\|[\mathop{\rm Ad}\nolimits_{g}x,A]\bigr\|.

However, there are several line minimization algorithms from classical optimization theory that may be employed in this context. In general, there is a tradeoff between the cost of the line search algorithm and its accuracy; good algorithms allow the user to specify accuracy requirements. The Wolfe-Powell line search algorithm [Fletcher] is one such algorithm. It is guaranteed to converge under mild assumptions, and allows the user to specify bounds on the error of the approximate stepsize to the desired stepsize. Near the minimum of the function, an approximate stepsize may be computed via a Taylor expansion about zero:

Truncating this expansion at the third order terms and solving the resulting quadratic optimization problem yields the approximation

Some of the information used in the computation of \mathchar28941i\mathchar 28941\relax_{i} described above may be used to compute this choice of stepsize. In practice, this choice of stepsize may be used as a trial stepsize for the Wolfe-Powell or similar line searching algorithm. As the conjugate gradient algorithm converges, it will yield increasingly better approximations of the desired stepsize, and the iterations required in the line searching algorithm may be greatly reduced.

The sorting problem

One interesting feature of this type of optimization algorithm, discovered by ?, is its ability to sort lists of numbers. However, from the viewpoint of the tracking application, this property slows the algorithm’s convergence because the sequence of points pip_{i} may pass near one of the many saddle points where the columns of pip_{i} are approximately eigenvectors. A practical algorithm would impose convergence near these saddle points because the eigenvectors may be sorted inexpensively with an O(klog⁡k)O(k\log k) algorithm such as heap sort. In the algorithm used in the next section, the diagonal elements of NN are sorted similarly to the diagonal elements of pT ⁣App^{\scriptscriptstyle\rm T}\!Ap. Whenever a resorting of NN occurs, the conjugate gradient algorithm is reset so that its next direction is simply the gradient direction of trpT ⁣ApN\mathop{\rm tr}\nolimits p^{\scriptscriptstyle\rm T}\!ApN, where the diagonal of NN is a sorted version of the original. Conversely, the columns of the matrix pp may be re-sorted so that the diagonal of pT ⁣App^{\scriptscriptstyle\rm T}\!Ap is ordered similarly to the diagonal of NN. This latter procedure is accomplished efficiently if pp is represented in the computer as an array of pointers to vectors.

Experimental results

Algorithm 4.2, Chapter 4, was applied to the generalized Rayleigh quotient defined on the manifold V100,3{V_{100,3}} with A=diag(100,99,…,1)A=\mathop{\rm diag}\nolimits(100,99,\ldots,1), N=diag(3,2,1)N=\mathop{\rm diag}\nolimits(3,2,1), and p0p_{0} chosen at random from V100,3{V_{100,3}} using Gram-Schmidt orthogonalization. The results are shown in Figure 1 along with the results of the method of steepest descent applied to the generalized Rayleigh quotient. Figure 2 shows the convergence of the estimated eigenvalues of the matrix AA. As can be seen in Figure 1, the algorithm converged to machine accuracy in about 50 steps. Figure 2 shows that good estimates of the largest three eigenvalues are obtained in less than 25 steps. Instead of the formula for \mathchar28941i\mathchar 28941\relax_{i} specified by this algorithm, which relies upon parallel translation of the previous gradient direction, \mathchar28941i\mathchar 28941\relax_{i} was computed using Equation (7) in conjunction with Equation (3). The stepsize was chosen with a modified version of the the Wolfe-Powell line minimization algorithm described by ? with \mathchar28954=0.01\mathchar 28954\relax=0.01 (cf. p. 30 of Fletcher), \mathchar28955=0.1\mathchar 28955\relax=0.1 (ibid., 83), \mathchar289561=9.0\mathchar 28956\relax_{1}=9.0, \mathchar289562=0.1\mathchar 28956\relax_{2}=0.1, and \mathchar289563=0.5\mathchar 28956\relax_{3}=0.5 (ibid., 34–36). The initial test stepsize was computed using Equation (8). The diagonal elements of NN were sorted similarly to the diagonal elements of piT ⁣Apip_{i}^{\scriptscriptstyle\rm T}\!Ap_{i}, i≥0i\geq 0, and the conjugate gradient algorithm was reset to the gradient direction every time sorting took place. The algorithm was also programmed to reset every rr steps with r=dimensionV100,3=294r=\mathop{\rm dimension}{V_{100,3}}=294; however, as the results of Figure 1 show, the algorithm converged to machine accuracy long before the latter type of reset would be used. The algorithm of Ward and Gray (?, ?) was used to compute the canonical decomposition of the skew-symmetric matrix x′x^{\prime}.

Largest left singular values

Let XX be an nn-by-ll matrix with n≤ln\leq l. The matrix XX may be thought of as a data matrix whose principal invariant subspaces are desired, i.e., we wish to compute the eigenvectors corresponding to the largest eigenvalues of R=XXTR=XX^{\scriptscriptstyle\rm T}, or, equivalently, the left singular vectors corresponding to the largest singular values of XX. As explained at the end of Section 1, it is desirable to work directly with the data matrix, or with the square root LL of RR, i.e., R=LLTR=LL^{\scriptscriptstyle\rm T}. This can be obtained from the QR decomposition X=LQX=LQ, where LL is a nn-by-ll lower triangular matrix and QQ is a ll-by-ll orthogonal matrix.

The conjugate gradient algorithms presented in this section may be modified to compute the largest singular vectors of XX. Computations of the form pT ⁣Rqp^{\scriptscriptstyle\rm T}\!Rq, where RR is a symmetric matrix and pp and qq are arbitrary nn-by-kk matrices, must be replaced with the computation (LTp)T(LTq)(L^{\scriptscriptstyle\rm T}p)^{\scriptscriptstyle\rm T}(L^{\scriptscriptstyle\rm T}q), and computations of the form RpRp must be replaced with L(LTp)L(L^{\scriptscriptstyle\rm T}p). While not as bad as explicitly computing R=XXTR=XX^{\scriptscriptstyle\rm T}, these methods do involve squaring the data.

It is worthwhile to ask if this may be avoided. Instead of optimizing the generalized Rayleigh quotient to obtain the largest left singular vectors, consider the function \mathchar28955 ⁣:Vn,k→R\mathchar 28955\relax\colon{V_{n,k}}\to{\bf R} defined by the following steps. Let p∈Vn,kp\in{V_{n,k}}, AA an arbitrary nn-by-nn matrix, and NN a real kk-by-kk diagonal matrix.

Compute B=ATpB=A^{\scriptscriptstyle\rm T}p.

Compute the QR decomposition of B=:QRB=:QR, where QQ is an nn-by-nn orthogonal matrix and RR is an nn-by-kk upper triangular matrix whose upper kk-by-kk block R1R_{1} has positive real diagonal entries ordered similarly to the diagonal of NN.

Set \mathchar28955(p)=trR1N\mathchar 28955\relax(p)=\mathop{\rm tr}\nolimits R_{1}N.

This approach avoids the data squaring problem. Using the techniques of Chapter 3, it is straightforward to show that the critical points of \mathchar28955\mathchar 28955\relax correspond to points pp whose columns are left singular vectors of AA. The function \mathchar28955\mathchar 28955\relax is maximized when the corresponding singular values are similarly ordered to the diagonal elements of NN.

However, computing a formula for the gradient and second covariant differential of \mathchar28955\mathchar 28955\relax is difficult. Indeed, when R1R_{1} is singular, this function is not differentiable on Vn,k{V_{n,k}}. To compute the gradient of \mathchar28955 ⁣:Vn,k→R\mathchar 28955\relax\colon{V_{n,k}}\to{\bf R}, the first order perturbation of \mathchar28955\mathchar 28955\relax with respect to its argument must be computed. To do this, the first order perturbations of an arbitrary QR decomposition Bt=QtRtB_{t}=Q_{t}R_{t}, where BtB_{t} is an nn-by-kk matrix parameterized by tt, must be computed. By assumption B0=Q0R0B_{0}=Q_{0}R_{0} and

The first order terms of Bt=QtRtB_{t}=Q_{t}R_{t} may be written as

For the application we have in mind, YY is a tangent vector of the Stiefel manifold (by Step 1). To fix ideas, we shall consider the case k=n=2k=n=2, and set

There does not appear to be an efficient O(nk2)O(nk^{2}) algorithm for computing the gradient of \mathchar28955\mathchar 28955\relax in general.

We can use Equation (6) of Chapter 3 to define a more tractible function for optimization. Given an arbitrary nn-by-nn matrix AA, let \mathchar28955′ ⁣:Vn,k→R\mathchar 28955\relax^{\prime}\colon{V_{n,k}}\to{\bf R} be defined by the following steps.

Compute B=ATpB=A^{\scriptscriptstyle\rm T}p.

Compute the nn-by-kk matrix qq defined by the equation B=:qDB=:qD such that the columns of qq have unit length and DD is a kk-by-kk diagonal matrix.

Set \mathchar28955′(p)=trqT ⁣ATpN\mathchar 28955\relax^{\prime}(p)=\mathop{\rm tr}\nolimits q^{\scriptscriptstyle\rm T}\!A^{\scriptscriptstyle\rm T}pN.

This approach also avoids the data squaring problem. It can be shown that the critical points of \mathchar28955′\mathchar 28955\relax^{\prime} correspond to matrices p∈Vn,kp\in{V_{n,k}} whose columns are the left singular vectors corresponding to the kk largest singular values of AA. The differential and gradient of \mathchar28955′\mathchar 28955\relax^{\prime} are straightforward to compute. Let \mathchar28944 ⁣:Rn×k→Rn×k\mathchar 28944\relax\colon{\bf R}^{n\times k}\to{\bf R}^{n\times k} be the projection defined by setting the diagonal elements of an nn-by-kk matrix to zero. Let gg be a coset representative of pp, and let x∈mx\in{m} correspond to X∈TpMX\in T_{p}M. Then

By the fact that tr\mathchar28944(a)Tb=traT\mathchar28944(b)\mathop{\rm tr}\nolimits\mathchar 28944\relax(a)^{\scriptscriptstyle\rm T}b=\mathop{\rm tr}\nolimits a^{\scriptscriptstyle\rm T}\mathchar 28944\relax(b) for aa, b∈Rn×kb\in{\bf R}^{n\times k}, it is seen that the vector v∈mv\in{m} corresponding to (grad\mathchar28955′)p(\mathop{\rm grad}\nolimits\mathchar 28955\relax^{\prime})_{p} is given by

The second covariant differential of \mathchar28955′\mathchar 28955\relax^{\prime} may be computed similarly, yielding the formulas necessary to implement a conjugate gradient algorithm on Vn,k{V_{n,k}} yielding the left singular vectors corresponding to the largest singular values of AA.

It is also possible to compute the corresponding right singular vectors simultaneously. Consider the function \mathchar28955′′ ⁣:Vn,k×Vn,k→R\mathchar 28955\relax^{\prime\prime}\colon{V_{n,k}}\times{V_{n,k}}\to{\bf R} defined by

The critical points of \mathchar28955′′\mathchar 28955\relax^{\prime\prime} correspond to matrices pp and q∈Vn,kq\in{V_{n,k}} whose columns are left and right singular vectors of AA, respectively. Optimization algorithms developed in this section may be generalized and applied to this function.

Conjugate gradient method for subspace tracking

Gradient-based algorithms are very appealing for tracking applications because of their ability to move in the best direction to minimize error. In the idealized scenario, the algorithm yields a sequence of points that are at or near a minimum point. When the minimum point changes, it is assumed to change slowly or continuously so that the gradient algorithm does not have far to go to follow the time varying solution.

In their review of subspace tracking algorithms, ? provide computer simulations of the behavior of a variety of algorithms tracking a step change in the signal subspace. Specifically, they track the principal subspaces of the signal

where st1s^{1}_{t} and st2s^{2}_{t} are wide-sense stationary random sequences and e1e_{1}, e2e_{2}, e3e_{3}, and e4e_{4} are the first four standard basis elements of R10{\bf R}^{10}. To isolate the tracking problem from the problem of covariance matrix estimation, we choose a slightly different approach here.

Instead of changing the data sample xx, and updating its covariance matrix, we shall simply allow the symmetric matrix AA to change arbitrarily over time, i.e., AtA_{t} is an nn-by-nn symmetric matrix for each t=0t=0, 11, …, and the goal shall be to track the largest kk eigenvalues of AtA_{t} and their associated eigenvectors. Algorithm 4.2 of Chapter 4 may be modified as follows so that one conjugate gradient step is performed at every time step. Of course, more than one conjugate gradient step per time step may be performed.

Let AiA_{i} be a symmetric matrix for i=0i=0, 11, …, and denote the generalized Rayleigh quotient with respect to AiA_{i} by p↦\mathchar28954(p)=trpT ⁣AipNp\mapsto\mathchar 28954\relax(p)=\mathop{\rm tr}\nolimits p^{\scriptscriptstyle\rm T}\!A_{i}pN. Select p0∈Vn,kp_{0}\in{V_{n,k}} and set i=0i=0.

via Equation (\refeq:raygengrad′)(\ref{eq:raygengrad}^{\prime}).

If i≡0 ( mod  dim⁡Vn,k)i\equiv 0\ (\bmod\ \dim{V_{n,k}}), then set Hi=GiH_{i}=G_{i}. If the diagonal elements of piT ⁣Aipip_{i}^{\scriptscriptstyle\rm T}\!A_{i}p_{i} are not ordered similarly to those of NN, then re-sort the diagonal of NN, set Hi=GiH_{i}=G_{i}, and restart the step count. Otherwise, set

where \mathchar28941i\mathchar 28941\relax_{i} is given by Equation (7).

Compute \mathchar28949i\mathchar 28949\relax_{i} such that

for all \mathchar28949>0\mathchar 28949\relax>0. Use Equation (8) for an initial guess of the stepsize for the Wolfe-Powell line search.

Set pi+1=exp⁡pi\mathchar28949iHip_{i+1}=\exp_{p_{i}}\mathchar 28949\relax_{i}H_{i}, increment ii, and go to Step 1.

Algorithm 3.1 with n=100n=100 and k=4k=4 was applied to the time varying matrix

I.e., the invariant subspace associated with the largest two eigenvalues of AiA_{i} is rotated by 135∘135^{\circ} at time t=40t=40. A slightly modified version of the algorithm was also tested, whereby the conjugate gradient algorithm was reset at t=40t=40. That is, at this time Step 2 was replaced with

Set Hi=GiH_{i}=G_{i} and restart the step count.

The values of ∣\mathchar28954(pi)−\mathchar28954(p^)∣|\mathchar 28954\relax(p_{i})-\mathchar 28954\relax({\hat{p}})|, where p^{\hat{p}} is the minimizing value of \mathchar28954\mathchar 28954\relax, resulting from these two experiments are shown in Figure 3. As may be seen, both algorithms track the step in the matrix AA; however, the reset algorithm, which “forgets” the directional information prior to t=40t=40, has better performance. Thus in a practical subspace tracking algorithm it may be desirable to reset the algorithm if there is a large jump in the value of ∣\mathchar28954(pi)−\mathchar28954(p^)∣|\mathchar 28954\relax(p_{i})-\mathchar 28954\relax({\hat{p}})|. The diagonal elements of the matrix piT ⁣Aipip_{i}^{\scriptscriptstyle\rm T}\!A_{i}p_{i} resulting from Algorithm 3.1 (no reset) are shown in Figure 4. As may be seen, good estimates for the largest eigenvalues of AiA_{i} are obtained in about 5 iterations beyond the step at t=40t=40. This compares favorably to the subspace tracking algorithms tested by ?, where the fastest convergence of about 20 iterations is obtained by the Lanczos algorithm. It is important to note however, that the two experiments are different in several important ways, making a direct comparison difficult. The experiment of Comon and Golub incorporated a covariance matrix estimation technique, whereas our matrix AiA_{i} changes instantaneously. Also, Comon and Golub implicitly use the space V10,2{V_{10,2}}, whose dimension is much smaller than that of the space V100,3{V_{100,3}} which we have selected.

In the previous experiment, the principal invariant subspace was unchanged and the corresponding eigenvalues were unchanged by the rotation Θ1\Theta_{1}. To test the algorithm’s response to a step change in the orientation of the principal invariant subspace along with a step change in its corresponding eigenvalues, the algorithm was applied to the time varying matrix

where Θ2=R14(135∘)⋅R25(135∘)⋅R36(135∘)\Theta_{2}=R_{14}(135^{\circ})\cdot R_{25}(135^{\circ})\cdot R_{36}(135^{\circ}), and Rij(\mathchar28946)R_{ij}(\mathchar 28946\relax) is rotation by \mathchar28946\mathchar 28946\relax of the plane spanned by the vectors eie_{i} and eje_{j}. Figure 5 shows the value of ∣\mathchar28954(pi)−\mathchar28954(p^)∣|\mathchar 28954\relax(p_{i})-\mathchar 28954\relax({\hat{p}})| and Figure 6 shows the estimated eigenvalues.

Finally, we wish to determine the algorithm’s performance when principal invariant subspace changes in one step to a mutually orthogonal subspace of itself. This is important because the generalized Rayleigh quotient has many (2k nPk2^{k}\,{}_{n}P_{k}) critical points, most of which are saddle points. If the algorithm has converged exactly to a minimum point, and a step change is then introduced which makes this point a saddle point, an exact implementation of the conjugate gradient algorithm could not adapt to this change because the gradient is zero at the saddle point. However, numerical inaccuracies on a finite-precision machine eventually drive the iterates from the saddle point to the minimum point. The algorithm was applied to the time varying matrix

Figure 7 shows the value of ∣\mathchar28954(pi)−\mathchar28954(p^)∣|\mathchar 28954\relax(p_{i})-\mathchar 28954\relax({\hat{p}})| and Figure 8 shows the estimated eigenvalues. As predicted, the iterates initially stay near the old minimum point, which has become a saddle point. After about fifteen iterations, numerical inaccuracies drive the iterates away from the saddle point to the new minimum point.

Chapter 6 Conclusions

In this thesis a geometric framework for optimization problems and their application in adaptive signal processing is established. Many approaches to the subspace tracking problem encountered in adaptive filtering depend upon its formulation as an optimization problem, namely optimizing a generalized form of the Rayleigh quotient defined on a set of orthonormal vectors. However, previous algorithms do not exploit the natural geometric structure of this constraint manifold. These algorithms are extrinsically defined in that they depend upon the choice of an isometric imbedding of the constraint surface in a higher dimensional Euclidean space. Furthermore, the algorithms that use a projected version of the classical conjugate gradient algorithm on Euclidean space do not account for the curvature of the constraint surface, and therefore achieve only linear convergence.

There exists a special geometric structure in the type of constraint surfaces found in the subspace tracking problem. The geometry of Lie groups and homogeneous spaces, reviewed in Chapter 2, provides analytic expressions for many fundamental objects of interest in these spaces, such as geodesics and parallel translation along geodesics. While such objects may be computationally unfeasible for application to general constrained optimization problems, there is an important class of manifolds which have sufficient structure to yield potentially practical algorithms.

The subspace tracking problem can be expressed as a gradient flow on a Lie group or homogeneous space. This idea, discussed in Chapter 3, covers several examples of gradient flows on Lie groups and homogeneous spaces. All of these gradient flows solve the eigenvalue or singular value problem of numerical linear algebra. The gradient flows considered demonstrate how understanding the differential geometric structure of a problem in numerical linear algebra can illuminate algorithms used to solve that problem. Specifically, the gradient flow of the function trΘTQΘN\mathop{\rm tr}\nolimits\Theta^{\scriptscriptstyle\rm T}Q\Theta N defined on the special orthogonal group \elvbitS ⁣O(n)\mathord{\elvbit S\!O}({n}) is reviewed. This flow yields an ordered eigenvalue decomposition of the matrix QQ. The gradient flow of the generalized Rayleigh quotient trpT ⁣ApN\mathop{\rm tr}\nolimits p^{\scriptscriptstyle\rm T}\!ApN defined on the Stiefel manifold Vn,k{V_{n,k}} is analyzed and its stationary points classified. Finally the gradient flow of the function trΣT ⁣N\mathop{\rm tr}\nolimits\Sigma^{\scriptscriptstyle\rm T}\!N defined on the set of matrices with fixed singular values is analyzed. This gradient flow and a related gradient flow on the homogeneous space (\elvibO(n)×\elvibO(k))/ΔD\elvibO(n−k)\bigl(\mathord{\elvib O}({n})\times\mathord{\elvib O}({k})\bigr)/{\mathord{\Delta}_{D}}\mathord{\elvib O}({n-k}) yield the singular value decomposition of an arbitrary matrix. A numerical experiment demonstrating this gradient flow is provided and it is shown that the experimental convergence rates are close to the predicted convergence rates.

Because using gradient flows to solve problems in numerical linear algebra is computationally impractical, the theory of large step optimization methods on Riemannian manifolds is developed in Chapter 4. The first method analyzed—the method of steepest descent on a Riemannian manifold—is already well-known. A thorough treatment of this algorithm employing techniques from Riemannian geometry is provided to fix ideas for the development of improved methods. A proof of linear convergence is given. Next, a version of Newton’s method on Riemannian manifolds is developed and analyzed. It is shown that quadratic convergence may be obtained, and that this method inherits several properties from the classical version of Newton’s method on a flat space. Finally, the conjugate gradient method on Riemannian manifolds is developed and analyzed, and a proof of superlinear convergence is provided. Several examples that demonstrate the predicted convergence rates are given throughout this chapter. The Rayleigh quotient on the sphere is optimized using all three algorithms. It is shown that the Riemannian version of Newton’s method applied to this function is efficiently approximated by the Rayleigh quotient iteration. The conjugate gradient algorithm applied to the Rayleigh quotient on the sphere yields a new algorithm for computing the eigenvectors corresponding to the extreme eigenvalues of a symmetric matrix. This superlinearly convergent algorithm requires two matrix-vector multiplications and O(n)O(n) operations per iteration.

In Chapter 5 these ideas are brought to bear on the subspace tracking problem of adaptive filtering. The subspace tracking problem is reviewed and it is shown how this problem may be viewed as an optimization problem on a Stiefel manifold. The Riemannian version of the conjugate gradient method is applied to the generalized Rayleigh quotient. By exploiting the homogeneous space structure of the Stiefel manifold, an efficient superlinearly convergent algorithm for computing the eigenvectors corresponding to the kk extreme eigenvalues of a symmetric matrix is developed. This algorithm requires O(k)O(k) matrix-vector multiplications per iteration and O(nk2)O(nk^{2}) operations. This algorithm has the advantage of maintaining orthonormality of the estimated eigenvectors at every step. However, it is important to note that the algorithm is only efficient if 2k≤n2k\leq n. The results of a numerical experiment of this algorithm which confirm the predicted convergence properties are shown. In the experiment, the conjugate gradient algorithm on V100,3{V_{100,3}}, a manifold of dimension 294294, converged to machine accuracy within 50 steps. Good estimates of the eigenvalues are obtained in less than 25 steps. A similar algorithm for computing the largest left singular vectors corresponding to the extreme singular values of an arbitrary matrix is discussed.

A new algorithm for subspace tracking based upon this conjugate gradient algorithm is given. To test the algorithm’s tracking properties, the algorithm is used to track several time varying symmetric matrices, each of which has a discontinuous step of some type. The following examples are considered: the principal invariant subspace rotating in its own plane with fixed eigenvalues, rotating out of its plane with changing eigenvalues, and rotating instantaneously to an orthogonal plane. Two versions of the algorithm were tested: one version that reset the conjugate gradient algorithm at the step, and one version that did not. In the first test, the reset version reconverged to machine accuracy in less than 20 steps, and provided accurate estimates of the eigenvalues in less than 10 steps. In the second test, the algorithm reconverged in 30 steps, and provided accurate estimates of the eigenvalues in 5 iterations. The third and final experiment demonstrates how the algorithm behaves when it has converged to a maximimum point that suddenly becomes a saddle point. The algorithm stayed close to the saddle point for about 15 iterations.

This thesis has only considered a few Riemannian manifolds which are found in certain types of applications and have sufficient structure to yield efficient algorithms. There are other useful examples which have not yet been mentioned. For example, many applications do not require the eigenvectors and corresponding eigenvalues of principal invariant subspace, but only an arbitrary orthonormal basis for this subspace. In this context, an optimization problem posed on the Grassmann manifold Gn,k{G_{n,k}} of k-k\hbox{-}planes in Rn{\bf R}^{n} would be appropriate. This manifold possesses the structure of a symmetric space and therefore geodesics and parallel translation along geodesics may be computed with matrix exponentiation. Furthermore, the tangent plane of Gn,k{G_{n,k}} at the origin as a vector subspace of the Lie algebra of its Lie transformation group contains large zero blocks that could be exploited to yield an efficient algorithm. This thesis also considered only real-valued cases; the unitary version of these algorithms that would be necessary for many signal processing contexts have not been explored.

The subspace tracking methods presented in this thesis have not been applied to particular examples in adaptive filtering, so there is an opportunity to explore the extent of their usefulness in this area. There is a broad range of adaptive filtering applications which have diverse computational requirements, dimensionality, and assumptions about the signal properties and background noise. The strengths and weaknesses of subspace tracking techniques must be evaluated in the context of the application’s requirements.

Bibliography