Faster Inversion and Other Black Box Matrix Computations Using Efficient Block Projections

Block projections have been used, in [Eberly et al. 2006], to obtain an efficient algorithm to find solutions for sparse systems of linear equations. A bound of softO(n^(2.5)) machine operations is obtained assuming that the input matrix can be multiplied by a vector with constant-sized entries in softO(n) machine operations. Unfortunately, the correctness of this algorithm depends on the existence of efficient block projections, and this has been conjectured. In this paper we establish the correctness of the algorithm from [Eberly et al. 2006] by proving the existence of efficient block projections over sufficiently large fields. We demonstrate the usefulness of these projections by deriving improved bounds for the cost of several matrix problems, considering, in particular, ``sparse'' matrices that can be be multiplied by a vector using softO(n) field operations. We show how to compute the inverse of a sparse matrix over a field F using an expected number of softO(n^(2.27)) operations in F. A basis for the null space of a sparse matrix, and a certification of its rank, are obtained at the same cost. An application to Kaltofen and Villard's Baby-Steps/Giant-Steps algorithms for the determinant and Smith Form of an integer matrix yields algorithms requiring softO(n^(2.66)) machine operations. The derived algorithms are all probabilistic of the Las Vegas type

Solving Sparse Integer Linear Systems

We propose a new algorithm to solve sparse linear systems of equations over the integers. This algorithm is based on a $p$-adic lifting technique combined with the use of block matrices with structured blocks. It achieves a sub-cubic complexity in terms of machine operations subject to a conjecture on the effectiveness of certain sparse projections. A LinBox-based implementation of this algorithm is demonstrated, and emphasizes the practical benefits of this new method over the previous state of the art

ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers

Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn-Sham density-functional theory. This problem must be addressed by essentially all current electronic structure codes, based on similar matrix expressions, and by high-performance computation. We here present a unified software interface, ELSI, to access different strategies that address the Kohn-Sham eigenvalue problem. Currently supported algorithms include the dense generalized eigensolver library ELPA, the orbital minimization method implemented in libOMM, and the pole expansion and selected inversion (PEXSI) approach with lower computational complexity for semilocal density functionals. The ELSI interface aims to simplify the implementation and optimal use of the different strategies, by offering (a) a unified software framework designed for the electronic structure solvers in Kohn-Sham density-functional theory; (b) reasonable default parameters for a chosen solver; (c) automatic conversion between input and internal working matrix formats, and in the future (d) recommendation of the optimal solver depending on the specific problem. Comparative benchmarks are shown for system sizes up to 11,520 atoms (172,800 basis functions) on distributed memory supercomputing architectures.Comment: 55 pages, 14 figures, 2 table

On the efficiency of estimating penetrating rank on large graphs

P-Rank (Penetrating Rank) has been suggested as a useful measure of structural similarity that takes account of both incoming and outgoing edges in ubiquitous networks. Existing work often utilizes memoization to compute P-Rank similarity in an iterative fashion, which requires cubic time in the worst case. Besides, previous methods mainly focus on the deterministic computation of P-Rank, but lack the probabilistic framework that scales well for large graphs. In this paper, we propose two efficient algorithms for computing P-Rank on large graphs. The first observation is that a large body of objects in a real graph usually share similar neighborhood structures. By merging such objects with an explicit low-rank factorization, we devise a deterministic algorithm to compute P-Rank in quadratic time. The second observation is that by converting the iterative form of P-Rank into a matrix power series form, we can leverage the random sampling approach to probabilistically compute P-Rank in linear time with provable accuracy guarantees. The empirical results on both real and synthetic datasets show that our approaches achieve high time efficiency with controlled error and outperform the baseline algorithms by at least one order of magnitude