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Eigenvalue problems and linear systems of equations involving large symmetric matrices are commonly solved in quantum chemistry using Krylov space methods, such as the Davidson algorithm. The preconditioner is a key component of Krylov…
In this work we show a rational approximation of the Dawson's integral that can be implemented for high-accuracy computation of the complex error function in a rapid algorithm. Specifically, this approach provides accuracy exceeding $\sim…
Let $p$ be an odd prime, let $n\ge2$, and let the $n$th Chebyshev polynomial $T_n$ act on $\Z/p^k\Z$. We count fixed and exact-periodic points, allowing non-permutation degrees, and organize the finite-field formulas by the two source…
Radial basis function generated finite-difference (RBF-FD) methods have recently gained popularity due to their flexibility with irregular node distributions. However, the convergence theories in the literature, when applied to nonuniform…
The numerical computation of matrix functions such as $f(A)V$, where $A$ is an $n\times n$ large and sparse square matrix, $V$ is an $n \times p$ block with $p\ll n$ and $f$ is a nonlinear matrix function, arises in various applications…
A new necessary and sufficient stability test in a tractable number of operations for linear neutral-type delay systems is introduced. It is developed in the Lyapunov-Krasovskii framework via functionals with prescribed derivatives. The…
In this paper we introduce a new approach to compute rigorously solutions of Cauchy problems for a class of semi-linear parabolic partial differential equations. Expanding solutions with Chebyshev series in time and Fourier series in space,…
We introduce a novel spectral, finite-dimensional approximation of general Sobolev spaces in terms of Chebyshev polynomials. Based on this polynomial surrogate model (PSM), we realise a variational formulation, solving a vast class of…
We introduce efficient $(1+\varepsilon)$-approximation algorithms for the binary matrix factorization (BMF) problem, where the inputs are a matrix $\mathbf{A}\in\{0,1\}^{n\times d}$, a rank parameter $k>0$, as well as an accuracy parameter…
In this work, we extend the fractional linear multistep methods in [C. Lubich, SIAM J. Math. Anal., 17 (1986), pp.704--719] to the tempered fractional integral and derivative operators in the sense that the tempered fractional derivative…
When solving differential equations by a spectral method, it is often convenient to shift from Chebyshev polynomials $T_{n}(x)$ with coefficients $a_{n}$ to modified basis functions that incorporate the boundary conditions. For homogeneous…
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencing (AFD) and uses atomic pseudo orbitals produced by the…
We consider a linear elliptic partial differential equation (PDE) with a generic uniformly bounded parametric coefficient. The solution to this PDE problem is approximated in the framework of stochastic Galerkin finite element methods. We…
In this paper, we study the optimal general convergence rates for quadratures derived from Chebyshev points. By building on the aliasing errors on integration of Chebyshev polynomials, together with the asymptotic formulae on the…
As we all known, the nonnegative matrix factorization (NMF) is a dimension reduction method that has been widely used in image processing, text compressing and signal processing etc. In this paper, an algorithm for nonnegative matrix…
Fractional calculus provides a rigorous mathematical framework to describe anomalous stochastic processes by generalizing the notion of classical differential equations to their fractional-order counterparts. By introducing the fractional…
A numerical scheme is presented for approximating fractional order Poisson problems in two and three dimensions. The scheme is based on reformulating the original problem posed over $\Omega$ on the extruded domain…
In this paper, an inexact Newton method for solving real-valued nonlinear eigenvalue problems with eigenvector dependency (NEPv) is introduced that is able to solve the problem on a matrix level. Our main contribution is to derive a variant…
In this paper we consider some rational approximations to the fractional powers of self-adjoint positive operators, arising from the Gauss-Laguerre rules. We derive practical error estimates that can be used to select a priori the number of…
An a posteriori estimate for the error of a standard Krylov approximation to the matrix exponential is derived. The estimate is based on the defect (residual) of the Krylov approximation and is proven to constitute a rigorous upper bound on…