A literature survey of low-rank tensor approximation techniques

During the last years, low-rank tensor approximation has been established as a new tool in scientific computing to address large-scale linear and multilinear algebra problems, which would be intractable by classical techniques. This survey attempts to give a literature overview of current developments in this area, with an emphasis on function-related tensors

Tensor Numerical Methods in Quantum Chemistry: from Hartree-Fock Energy to Excited States

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, led to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in $O(n\log n)$ complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D $n\times n\times n$ Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D ``density fitting`` scheme. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excited states, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is related to the recent attempts to develop a tensor-based Hartree-Fock numerical scheme for finite lattice-structured systems, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a $L\times L\times L$ lattice manifests the linear in $L$ computational work, $O(L)$, instead of the usual $O(L^3 \log L)$ scaling by the Ewald-type approaches

Generalized companion matrix for approximate GCD

We study a variant of the univariate approximate GCD problem, where the coefficients of one polynomial f(x)are known exactly, whereas the coefficients of the second polynomial g(x)may be perturbed. Our approach relies on the properties of the matrix which describes the operator of multiplication by gin the quotient ring C[x]=(f). In particular, the structure of the null space of the multiplication matrix contains all the essential information about GCD(f; g). Moreover, the multiplication matrix exhibits a displacement structure that allows us to design a fast algorithm for approximate GCD computation with quadratic complexity w.r.t. polynomial degrees.Comment: Submitted to MEGA 201

GPGCD: An iterative method for calculating approximate GCD of univariate polynomials

We present an iterative algorithm for calculating approximate greatest common divisor (GCD) of univariate polynomials with the real or the complex coefficients. For a given pair of polynomials and a degree, our algorithm finds a pair of polynomials which has a GCD of the given degree and whose coefficients are perturbed from those in the original inputs, making the perturbations as small as possible, along with the GCD. The problem of approximate GCD is transfered to a constrained minimization problem, then solved with the so-called modified Newton method, which is a generalization of the gradient-projection method, by searching the solution iteratively. We demonstrate that, in some test cases, our algorithm calculates approximate GCD with perturbations as small as those calculated by a method based on the structured total least norm (STLN) method and the UVGCD method, while our method runs significantly faster than theirs by approximately up to 30 or 10 times, respectively, compared with their implementation. We also show that our algorithm properly handles some ill-conditioned polynomials which have a GCD with small or large leading coefficient.Comment: Preliminary versions have been presented as doi:10.1145/1576702.1576750 and arXiv:1007.183