We propose a Standing Wave Decomposition (SWD) approximation to Gaussian Process regression (GP). GP involves a costly matrix inversion operation, which limits applicability to large data analysis. For an input space that can be approximated by a grid and when correlations among data are short-ranged, the kernel matrix inversion can be replaced by analytic diagonalization using the SWD. We show that this approach applies to uni- and multi-dimensional input data, extends to include longer-range correlations, and the grid can be in a latent space and used as inducing points. Through simulations, we show that our approximate method outperforms existing methods in predictive accuracy per unit time in the regime where data are plentiful. Our SWD-GP is recommended for regression analyses where there is a relatively large amount of data and or there are constraints on computation time.
Previous works have also taken advantage of structured data to increase the computational efficiency of GP. For input data that lie on a grid, @cite_17 @cite_8 sidestep the matrix inversion by solving @math with gradient-based methods. Importantly, the optimization is fast because Toeplitz circulant structure can be exploited for fast matrix multiplication. These fast multiplications take on forms similar to . For input data that do not lie on a grid, @cite_11 (KISS-GP) introduces a latent grid, finds a sparse, approximate representation of @math in terms of @math , and makes inference using the same kind of optimization problem in @cite_17 @cite_8 . The sparsification in KISS-GP and that in our LGSWD-GP share the same flavor in ignoring the diminishing long-range correlations among data points. Recently, @cite_24 further extended this optimization approach to efficiently handle high dimensional data by applying the Nystr " o m approximation for eigen-decomposition and by exploiting properties of Kronecker and Khatri-Rao products for fast matrix multiplication. Overall, our method and these methods all take advantage of the grid structure to form fast matrix multiplication; however, our method differs in that it overcomes the matrix inversion bottleneck via analytic diagonalizaion rather than optimization.
@cite_24 @cite_8 @cite_11 @cite_17
2950240291 2108853809 2949644579 2170952786
We introduce a new structured kernel interpolation (SKI) framework, which generalises and unifies inducing point methods for scalable Gaussian processes (GPs). SKI methods produce kernel approximations for fast computations through kernel interpolation. The SKI framework clarifies how the quality of an inducing point approach depends on the number of inducing (aka interpolation) points, interpolation strategy, and GP covariance kernel. SKI also provides a mechanism to create new scalable kernel methods, through choosing different kernel interpolation strategies. Using SKI, with local cubic kernel interpolation, we introduce KISS-GP, which is 1) more scalable than inducing point alternatives, 2) naturally enables Kronecker and Toeplitz algebra for substantial additional gains in scalability, without requiring any grid data, and 3) can be used for fast and expressive kernel learning. KISS-GP costs O(n) time and storage for GP inference. We evaluate KISS-GP for kernel matrix approximation, kernel learning, and natural sound modelling. We introduce a new structured kernel interpolation (SKI) framework, which generalises and unifies inducing point methods for scalable Gaussian processes (GPs). SKI methods produce kernel approximations for fast computations through kernel interpolation. The SKI framework clarifies how the quality of an inducing point approach depends on the number of inducing (aka interpolation) points, interpolation strategy, and GP covariance kernel. SKI also provides a mechanism to create new scalable kernel methods, through choosing different kernel interpolation strategies. Using SKI, with local cubic kernel interpolation, we introduce KISSGP, which is 1) more scalable than inducing point alternatives, 2) naturally enables Kronecker and Toeplitz algebra for substantial additional gains in scalability, without requiring any grid data, and 3) can be used for fast and expressive kernel learning. KISS-GP costs O(n) time and storage for GP inference. We evaluate KISS-GP for kernel matrix approximation, kernel learning, and natural sound modelling. We use randomness to exploit the potential sparsity of the Boolean matrix product in order to speed up the computation of the product. Our new fast output-sensitive algorithm for Boolean matrix product and its witnesses is randomized and provides the Boolean product and its witnesses almost certainly. Its worst-case time performance is expressed in terms of the input size and the number of non-zero entries of the product matrix. It runs in time @math , where the input matrices have size n×n, the number of non-zero entries in the product matrix is at most s, ? is the exponent of the fast matrix multiplication and @math denotes O(f(n)log? d n) for some constant d. By the currently best bound on ?, its running time can be also expressed as @math . Our algorithm is substantially faster than the output-sensitive column-row method for Boolean matrix product for s larger than n 1.232 and it is never slower than the fast @math -time algorithm for this problem. By applying the fast rectangular matrix multiplication, we can refine our upper bound further to the form @math , where ?(p,q,t) is the exponent of the fast multiplication of an n p ×n q matrix by an n q ×n t matrix. We also present a partial derandomization of our algorithm as well as its generalization to include the Boolean product of rectangular Boolean matrices. Finally, we show several applications of our output-sensitive algorithms. We introduce a kernel approximation strategy that enables computation of the Gaussian process log marginal likelihood and all hyperparameter derivatives in @math time. Our GRIEF kernel consists of @math eigenfunctions found using a Nystrom approximation from a dense Cartesian product grid of inducing points. By exploiting algebraic properties of Kronecker and Khatri-Rao tensor products, computational complexity of the training procedure can be practically independent of the number of inducing points. This allows us to use arbitrarily many inducing points to achieve a globally accurate kernel approximation, even in high-dimensional problems. The fast likelihood evaluation enables type-I or II Bayesian inference on large-scale datasets. We benchmark our algorithms on real-world problems with up to two-million training points and @math inducing points. Randomized sampling has recently been proven a highly efficient technique for computing approximate factorizations of matrices that have low numerical rank. This paper describes an extension of such techniques to a wider class of matrices that are not themselves rank-deficient but have off-diagonal blocks that are; specifically, the class of so-called hierarchically semiseparable (HSS) matrices. HSS matrices arise frequently in numerical analysis and signal processing, particularly in the construction of fast methods for solving differential and integral equations numerically. The HSS structure admits algebraic operations (matrix-vector multiplications, matrix factorizations, matrix inversion, etc.) to be performed very rapidly, but only once the HSS representation of the matrix has been constructed. How to rapidly compute this representation in the first place is much less well understood. The present paper demonstrates that if an @math matrix can be applied to a vector in @math time, and if individual entries of the matrix can be computed rapidly, then provided that an HSS representation of the matrix exists, it can be constructed in @math operations, where @math is an upper bound for the numerical rank of the off-diagonal blocks. The point is that when legacy codes (based on, e.g., the fast multipole method) can be used for the fast matrix-vector multiply, the proposed algorithm can be used to obtain the HSS representation of the matrix, and then well-established techniques for HSS matrices can be used to invert or factor the matrix. We present a distributed-memory library for computations with dense structured matrices. A matrix is considered structured if its off-diagonal blocks can be approximated by a rank-deficient matrix with low numerical rank. Here, we use Hierarchically Semi-Separable representations (HSS). Such matrices appear in many applications, e.g., finite element methods, boundary element methods, etc. Exploiting this structure allows for fast solution of linear systems and or fast computation of matrix-vector products, which are the two main building blocks of matrix computations. The compression algorithm that we use, that computes the HSS form of an input dense matrix, relies on randomized sampling with a novel adaptive sampling mechanism. We discuss the parallelization of this algorithm and also present the parallelization of structured matrix-vector product, structured factorization and solution routines. The efficiency of the approach is demonstrated on large problems from different academic and industrial applications, on up to 8,000 cores. This work is part of a more global effort, the STRUMPACK (STRUctured Matrices PACKage) software package for computations with sparse and dense structured matrices. Hence, although useful on their own right, the routines also represent a step in the direction of a distributed-memory sparse solver. Recently, a uniform approach was given by B. Beckermann and G. Labahn [Numer. Algorithms, 3 (1992), pp. 45-54] for different concepts of matrix-type Pade approximants, such as descriptions of vector and matrix Pade approximants along with generalizations of simultaneous and Hermite Pade approximants. The considerations in this paper are based on this generalized form of the classical scalar Hermite Pade approximation problem, power Hermite Pade approximation. In particular, this paper studies the problem of computing these new approximants. A recurrence relation is presented for the computation of a basis for the corresponding linear solution space of these approximants. This recurrence also provides bases for particular subproblems. This generalizes previous work by Van Barel and Bultheel and, in a more general form, by Beckermann. The computation of the bases has complexity @math , where @math is the order of the desired approximant and requires no conditions on the input data. A second algorithm using the same recurrence relation along with divide-and-conquer methods is also presented. When the coefficient field allows for fast polynomial multiplication, this second algorithm computes a basis in the superfast complexity @math . In both cases the algorithms are reliable in exact arithmetic. That is, they never break down, and the complexity depends neither on any normality assumptions nor on the singular structure of the corresponding solution table. As a further application, these methods result in fast (and superfast) reliable algorithms for the inversion of striped Hankel, layered Hankel, and (rectangular) block-Hankel matrices. Low-rank matrix approximations, such as the truncated singular value decomposition and the rank-revealing QR decomposition, play a central role in data analysis and scientific computing. This work surveys and extends recent research which demonstrates that randomization offers a powerful tool for performing low-rank matrix approximation. These techniques exploit modern computational architectures more fully than classical methods and open the possibility of dealing with truly massive data sets. This paper presents a modular framework for constructing randomized algorithms that compute partial matrix decompositions. These methods use random sampling to identify a subspace that captures most of the action of a matrix. The input matrix is then compressed—either explicitly or implicitly—to this subspace, and the reduced matrix is manipulated deterministically to obtain the desired low-rank factorization. In many cases, this approach beats its classical competitors in terms of accuracy, robustness, and or speed. These claims are supported by extensive numerical experiments and a detailed error analysis. The specific benefits of randomized techniques depend on the computational environment. Consider the model problem of finding the @math dominant components of the singular value decomposition of an @math matrix. (i) For a dense input matrix, randomized algorithms require @math floating-point operations (flops) in contrast to @math for classical algorithms. (ii) For a sparse input matrix, the flop count matches classical Krylov subspace methods, but the randomized approach is more robust and can easily be reorganized to exploit multiprocessor architectures. (iii) For a matrix that is too large to fit in fast memory, the randomized techniques require only a constant number of passes over the data, as opposed to @math passes for classical algorithms. In fact, it is sometimes possible to perform matrix approximation with a single pass over the data. The @math -means clustering algorithm is a ubiquitous tool in data mining and machine learning that shows promising performance. However, its high computational cost has hindered its applications in broad domains. Researchers have successfully addressed these obstacles with dimensionality reduction methods. Recently, [1] develop a state-of-the-art random projection (RP) method for faster @math -means clustering. Their method delivers many improvements over other dimensionality reduction methods. For example, compared to the advanced singular value decomposition based feature extraction approach, [1] reduce the running time by a factor of @math for data matrix @math with @math data points and @math features, while losing only a factor of one in approximation accuracy. Unfortunately, they still require @math for matrix multiplication and this cost will be prohibitive for large values of @math and @math . To break this bottleneck, we carefully build a sparse embedded @math -means clustering algorithm which requires @math ( @math denotes the number of non-zeros in @math ) for fast matrix multiplication. Moreover, our proposed algorithm improves on [1]'s results for approximation accuracy by a factor of one. Our empirical studies corroborate our theoretical findings, and demonstrate that our approach is able to significantly accelerate @math -means clustering, while achieving satisfactory clustering performance. A number of problems in probability and statistics can be addressed using the multivariate normal (Gaussian) distribution. In the one-dimensional case, computing the probability for a given mean and variance simply requires the evaluation of the corresponding Gaussian density. In the @math -dimensional setting, however, it requires the inversion of an @math covariance matrix, @math , as well as the evaluation of its determinant, @math . In many cases, such as regression using Gaussian processes, the covariance matrix is of the form @math , where @math is computed using a specified covariance kernel which depends on the data and additional parameters (hyperparameters). The matrix @math is typically dense, causing standard direct methods for inversion and determinant evaluation to require @math work. This cost is prohibitive for large-scale modeling. Here, we show that for the most commonly used covariance functions, the matrix @math can be hierarchically factored into a product of block low-rank updates of the identity matrix, yielding an @math algorithm for inversion. More importantly, we show that this factorization enables the evaluation of the determinant @math , permitting the direct calculation of probabilities in high dimensions under fairly broad assumptions on the kernel defining @math . Our fast algorithm brings many problems in marginalization and the adaptation of hyperparameters within practical reach using a single CPU core. The combination of nearly optimal scaling in terms of problem size with high-performance computing resources will permit the modeling of previously intractable problems. We illustrate the performance of the scheme on standard covariance kernels. A discrete uncoupling process for finite spaces is introduced, called the Markov Cluster Process or the MCL process. The process is the engine for the graph clustering algorithm called the MCL algorithm. The MCL process takes a stochastic matrix as input, and then alternates expansion and inflation, each step defining a stochastic matrix in terms of the previous one. Expansion corresponds with taking the @math th power of a stochastic matrix, where @math . Inflation corresponds with a parametrized operator @math , @math , that maps the set of (column) stochastic matrices onto itself. The image @math is obtained by raising each entry in @math to the @math th power and rescaling each column to have sum 1 again. In practice the process converges very fast towards a limit that is invariant under both matrix multiplication and inflation, with quadratic convergence around the limit points. The heuristic behind the process is its expected behavior for (Markov) graphs possessing cluster structure. The process is typically applied to the matrix of random walks on a given graph @math , and the connected components of (the graph associated with) the process limit generically allow a clustering interpretation of @math . The limit is in general extremely sparse and iterands are sparse in a weighted sense, implying that the MCL algorithm is very fast and highly scalable. Several mathematical properties of the MCL process are established. Most notably, the process (and algorithm) iterands posses structural properties generalizing the mapping from process limits onto clusterings. The inflation operator @math maps the class of matrices that are diagonally similar to a symmetric matrix onto itself. The phrase diagonally positive semi-definite (dpsd) is used for matrices that are diagonally similar to a positive semi-definite matrix. For @math and for @math a stochastic dpsd matrix, the image @math is again dpsd. Determinantal inequalities satisfied by a dpsd matrix @math imply a natural ordering among the diagonal elements of @math , generalizing the mapping of process limits onto clusterings. The spectrum of @math is of the form @math , where @math is the number of endclasses of the ordering associated with @math , and @math is the dimension of @math . This attests to the uncoupling effect of the inflation operator. Binary embedding of high-dimensional data requires long codes to preserve the discriminative power of the input space. Traditional binary coding methods often suffer from very high computation and storage costs in such a scenario. To address this problem, we propose Circulant Binary Embedding (CBE) which generates binary codes by projecting the data with a circulant matrix. The circulant structure enables the use of Fast Fourier Transformation to speed up the computation. Compared to methods that use unstructured matrices, the proposed method improves the time complexity from @math to @math , and the space complexity from @math to @math where @math is the input dimensionality. We also propose a novel time-frequency alternating optimization to learn data-dependent circulant projections, which alternatively minimizes the objective in original and Fourier domains. We show by extensive experiments that the proposed approach gives much better performance than the state-of-the-art approaches for fixed time, and provides much faster computation with no performance degradation for fixed number of bits. This paper considers the problem of finding n × n matrices Ak and Bk that minimize @math , where @math denotes Kronecker product and T is a banded n × n block Toeplitz matrix with banded n × n Toeplitz blocks. It is shown that the optimal Ak and Bk are banded Toeplitz matrices, and an efficient algorithm for computing the approximation is provided. An image restoration problem from the Hubble Space Telescope (HST) is used to illustrate the effectiveness of an approximate SVD preconditioner constructed from the Kronecker product decomposition. Low-rank approximation is a common tool used to accelerate kernel methods: the @math kernel matrix @math is approximated via a rank- @math matrix @math which can be stored in much less space and processed more quickly. In this work we study the limits of computationally efficient low-rank kernel approximation. We show that for a broad class of kernels, including the popular Gaussian and polynomial kernels, computing a relative error @math -rank approximation to @math is at least as difficult as multiplying the input data matrix @math by an arbitrary matrix @math . Barring a breakthrough in fast matrix multiplication, when @math is not too large, this requires @math time where @math is the number of non-zeros in @math . This lower bound matches, in many parameter regimes, recent work on subquadratic time algorithms for low-rank approximation of general kernels [MM16,MW17], demonstrating that these algorithms are unlikely to be significantly improved, in particular to @math input sparsity runtimes. At the same time there is hope: we show for the first time that @math time approximation is possible for general radial basis function kernels (e.g., the Gaussian kernel) for the closely related problem of low-rank approximation of the kernelized dataset. Many data analysis applications deal with large matrices and involve approximating the matrix using a small number of “components.” Typically, these components are linear combinations of the rows and columns of the matrix, and are thus difficult to interpret in terms of the original features of the input data. In this paper, we propose and study matrix approximations that are explicitly expressed in terms of a small number of columns and or rows of the data matrix, and thereby more amenable to interpretation in terms of the original data. Our main algorithmic results are two randomized algorithms which take as input an @math matrix @math and a rank parameter @math . In our first algorithm, @math is chosen, and we let @math , where @math is the Moore-Penrose generalized inverse of @math . In our second algorithm @math , @math , @math are chosen, and we let @math . ( @math and @math are matrices that consist of actual columns and rows, respectively, of @math , and @math is a generalized inverse of their intersection.) For each algorithm, we show that with probability at least @math , @math , where @math is the “best” rank- @math approximation provided by truncating the SVD of @math , and where @math is the Frobenius norm of the matrix @math . The number of columns of @math and rows of @math is a low-degree polynomial in @math , @math , and @math . Both the Numerical Linear Algebra community and the Theoretical Computer Science community have studied variants of these matrix decompositions over the last ten years. However, our two algorithms are the first polynomial time algorithms for such low-rank matrix approximations that come with relative-error guarantees; previously, in some cases, it was not even known whether such matrix decompositions exist. Both of our algorithms are simple and they take time of the order needed to approximately compute the top @math singular vectors of @math . The technical crux of our analysis is a novel, intuitive sampling method we introduce in this paper called “subspace sampling.” In subspace sampling, the sampling probabilities depend on the Euclidean norms of the rows of the top singular vectors. This allows us to obtain provable relative-error guarantees by deconvoluting “subspace” information and “size-of- @math ” information in the input matrix. This technique is likely to be useful for other matrix approximation and data analysis problems. Purpose – The purpose of this paper is to suggest an alternative to the widely used Times Cited criterion for analysing citation networks. The approach involves taking account of the natures of the papers that cite a given paper, so as to differentiate between papers that attract the same number of citations.Design methodology approach – ArticleRank is an algorithm that has been derived from Google's PageRank algorithm to measure the influence of journal articles. ArticleRank is applied to two datasets – a citation network based on an early paper on webometrics, and a self‐citation network based on the 19 most cited papers in the Journal of Documentation – using citation data taken from the Web of Knowledge database.Findings – ArticleRank values provide a different ranking of a set of papers from that provided by the corresponding Times Cited values, and overcomes the inability of the latter to differentiate between papers with the same numbers of citations. The difference in rankings between Times Cited ... Tensor CANDECOMP PARAFAC (CP) decomposition is a powerful but computationally challenging tool in modern data analytics. In this paper, we show ways of sampling intermediate steps of alternating minimization algorithms for computing low rank tensor CP decompositions, leading to the sparse alternating least squares (SPALS) method. Specifically, we sample the the Khatri-Rao product, which arises as an intermediate object during the iterations of alternating least squares. This product captures the interactions between different tensor modes, and form the main computational bottleneck for solving many tensor related tasks. By exploiting the spectral structures of the matrix Khatri-Rao product, we provide efficient access to its statistical leverage scores. When applied to the tensor CP decomposition, our method leads to the first algorithm that runs in sublinear time per-iteration and approximates the output of deterministic alternating least squares algorithms. Empirical evaluations of this approach show significantly speedups over existing randomized and deterministic routines for performing CP decomposition. On a tensor of the size 2.4m by 6.6m by 92k with over 2 billion nonzeros formed by Amazon product reviews, our routine converges in two minutes to the same error as deterministic ALS. Parallel matrix multiplication is one of the most studied fundamental problems in distributed and high performance computing. We obtain a new parallel algorithm that is based on Strassen's fast matrix multiplication and minimizes communication. The algorithm outperforms all known parallel matrix multiplication algorithms, classical and Strassen-based, both asymptotically and in practice. A critical bottleneck in parallelizing Strassen's algorithm is the communication between the processors. Ballard, Demmel, Holtz, and Schwartz (SPAA '11) prove lower bounds on these communication costs, using expansion properties of the underlying computation graph. Our algorithm matches these lower bounds, and so is communication-optimal. It exhibits perfect strong scaling within the maximum possible range. Benchmarking our implementation on a Cray XT4, we obtain speedups over classical and Strassen-based algorithms ranging from 24 to 184 for a fixed matrix dimension n=94080, where the number of processors ranges from 49 to 7203. Our parallelization approach generalizes to other fast matrix multiplication algorithms. The problem of recovering a sparse signal x Rn from a relatively small number of its observations of the form y = Ax Rk, where A is a known matrix and k « n, has recently received a lot of attention under the rubric of compressed sensing (CS) and has applications in many areas of signal processing such as data cmpression, image processing, dimensionality reduction, etc. Recent work has established that if A is a random matrix with entries drawn independently from certain probability distributions then exact recovery of x from these observations can be guaranteed with high probability. In this paper, we show that Toeplitz-structured matrices with entries drawn independently from the same distributions are also sufficient to recover x from y with high probability, and we compare the performance of such matrices with that of fully independent and identically distributed ones. The use of Toeplitz matrices in CS applications has several potential advantages: (i) they require the generation of only O(n) independent random variables; (ii) multiplication with Toeplitz matrices can be efficiently implemented using fast Fourier transform, resulting in faster acquisition and reconstruction algorithms; and (iii) Toeplitz-structured matrices arise naturally in certain application areas such as system identification. The Fourier transform of a continuous function, evaluated at frequencies expressed in polar coordinates, is an important conceptual tool for understanding physical continuum phenomena. An analogous tool, suitable for computations on discrete grids, could be very useful; however, no exact analogue exists in the discrete case. In this paper we present the notion of pseudopolar grid (pp grid) and the pseudopolar Fourier transform (ppFT), which evaluates the discrete Fourier transform at points of the pp grid. The pp grid is a type of concentric-squares grid in which the radial density of squares is twice as high as usual. The pp grid consists of equally spaced samples along rays, where different rays are equally spaced in slope rather than angle. We develop a fast algorithm for the ppFT, with the same complexity order as the Cartesian fast Fourier transform; the algorithm is stable, invertible, requires only one-dimensional operations, and uses no approximate interpolations. We prove that the ppFT is invertible and develop two algorithms for its inversion: iterative and direct, both with complexity @math , where @math is the size of the reconstructed image. The iterative algorithm applies conjugate gradients to the Gram operator of the ppFT. Since the transform is ill-conditioned, we introduce a preconditioner, which significantly accelerates the convergence. The direct inversion algorithm utilizes the special frequency domain structure of the transform in two steps. First, it resamples the pp grid to a Cartesian frequency grid and then recovers the image from the Cartesian frequency grid.