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Randomized Nyström approximation of non-negative self-adjoint operators

David Persson, Nicolas Boullé, Daniel Kressner

Abstract

A ubiquitous task in numerical linear algebra is to compute a low-rank approximation to a matrix \(\bm {A}\). Randomized techniques [8, 9, 10, 12] are becoming increasingly popular for computing cheap, yet accurate, low-rank approximations to matrices. Most notably, the randomized singular value decomposition (SVD) [9] has evolved into one of the primary choices, due to its simplicity, performance, and reliability. In its most basic form, the randomized SVD performs the approximation \(\bm {Q} \bm {Q}^* \bm {A}\approx \bm {A}\), where \(\bm {Q}\) is an orthonormal basis for the range of \(\bm {A} \bm {\Omega }\), with \(\bm {\Omega }\) being a tall and skinny random sketch matrix. In many applications of low-rank approximation, such as \(k\)-means clustering [13], PCA [14], and Gaussian process regression [7], it is known that \(\bm {A}\) is symmetric positive semi-definite. In this case, one usually prefers the so-called randomized Nyström approximation [8]

\begin{equation} \label {eq:nystrom} \widehat {\bm {A}} := \bm {A} \bm {\Omega }(\bm {\Omega }^* \bm {A} \bm {\Omega })^{\dagger } \bm {\Omega }^*\bm {A} \approx \bm {A}, \end{equation}

where \(\bm {\Omega }\) is, again, a random sketch matrix. This approximation has received significant attention in the literature [8, 11, 12] and, like the randomized SVD, it enjoys strong theoretical guarantees. With the same number of matrix-vector products, the randomized Nyström approximation is typically significantly more accurate than the randomized SVD when the matrix has rapidly decaying singular values. Additionally, the Nyström method requires only a single pass over the matrix, compared to two passes for the randomized SVD, enabling all matrix-vector products to be performed in parallel.

Recently, Boullé and Townsend [4, 5] generalized the randomized SVD from matrices to Hilbert-Schmidt operators. Subsequent works [3, 6] employed this infinite-dimensional generalization of the randomized SVD to learn Green’s functions associated with an elliptic or parabolic partial differential equations (PDE) from a few solutions of the PDE. This approach uses hierarchical low-rank techniques and exploits the fact that Green’s functions are smooth away from the diagonal and therefore admit accurate off-diagonal low-rank approximations [1, 2]. Other applications, like Gaussian process regression and Support Vector Machines, involve integral operators that feature positive and globally smooth kernels. In turn, the operator is not only self-adjoint and positive but it also allows for directly applying low-rank approximation, without the need to resort to hierarchical techniques. Given existing results on matrices, it would be sensible to use an infinite-dimensional extension of the randomized Nyström approximation in such situations.

In this work, we present and analyze an infinite-dimensional extension of the randomized Nyström approximation for computing low-rank approximations to self-adjoint, positive, trace class operators. A significant advantage of the proposed framework is that once a low-rank approximation of the operator is computed, one can use this approximation to compute a low-rank approximation to any discretization of the operator.

References