Related papers: Arnoldi-Enhanced Multivariate Hermite Interpolatio…
As is well-known, the advantage of the high-order compact difference scheme (H-OCD) is unconditionally stable and convergent with the order $O(\tau^2+h^4)$ under the maximum norm. In this article, a new numerical gradient scheme based on…
We propose a data-driven interpolation method for approximating real-valued functions on smooth manifolds, based on the Laplace--Beltrami operator and Voronoi tessellations. Given pointwise evaluations, the method constructs a continuous…
Objectives involving bilinear forms $u^\top f(A(\theta))v$ for Hermitian $A$ arise widely in scientific computing and probabilistic machine learning. For large matrices, Lanczos efficiently approximates these quantities, but differentiating…
We consider the sparse polynomial approximation of a multivariate function on a tensor product domain from samples of both the function and its gradient. When only function samples are prescribed, weighted $\ell^1$ minimization has recently…
In this paper, we present an approach to enhance interpolation and approximation error estimates. Based on a previously derived first-order Taylor-like formula, we demonstrate its applicability in improving the $P_1$-interpolation error…
We propose HAMSI (Hessian Approximated Multiple Subsets Iteration), which is a provably convergent, second order incremental algorithm for solving large-scale partially separable optimization problems. The algorithm is based on a local…
Truncated Taylor series representations of invariant manifolds are abundant in numerical computations. We present an aposteriori method to compute the convergence radii and error estimates of analytic parametrisations of non-resonant local…
Arnoldi method and conjugate gradient method are important classical iteration methods in solving linear systems and estimating eigenvalues. Their efficiency often affected by the high dimension of the space, where quantum computer can play…
Gaussian radial basis functions can be an accurate basis for multivariate interpolation. In practise, high accuracies are often achieved in the flat limit where the interpolation matrix becomes increasingly ill-conditioned. Stable…
In this paper, we propose a new trigonometric interpolation algorithm and establish relevant convergent properties. The method adjusts an existing trigonometric interpolation algorithm such that it can better leverage Fast Fourier Transform…
We present a new method for the optimization of large configuration interaction (CI) expansions in the quantum Monte Carlo (QMC) framework. The central idea here is to replace the non-orthogonal variational optimization of CI coefficients…
Given a system of triangles in the plane $\mathbb{R}^2$ along with given data of function and gradient values at the vertices, we describe the general pattern of local linear methods invoving only four smooth standard shape functions which…
This paper presents a methodology to construct a divergence-free polynomial basis of an arbitrary degree in a simplex (triangles in 2D and tetrahedra in 3D) of arbitrary dimension. It allows for fast computation of all numerical solutions…
We describe a method of integration to obtain identities of the arctangent function and show how this method can be applied to the high-accuracy computation of the constant pi using the equation $\pi = 4 \arctan \left( 1 \right)$. Our…
The error scaling for Markov-Chain Monte Carlo techniques (MCMC) with $N$ samples behaves like $1/\sqrt{N}$. This scaling makes it often very time intensive to reduce the error of computed observables, in particular for applications in…
Spline quasi-interpolation (QI) is a general and powerful approach for the construction of low cost and accurate approximations of a given function. In order to provide an efficient adaptive approximation scheme in the bivariate setting, we…
Topological invariants of a dataset, such as the number of holes that survive from one length scale to another (persistent Betti numbers) can be used to analyze and classify data in machine learning applications. We present an improved…
One approach to parametric and adaptive model reduction is via the interpolation of orthogonal bases, subspaces or positive definite system matrices. In all these cases, the sampled inputs stem from matrix sets that feature a geometric…
We propose a novel Hermite-Taylor correction function method to handle embedded boundary and interface conditions for Maxwell's equations. The Hermite-Taylor method evolves the electromagnetic fields and their derivatives through order $m$…
We present a scheme to controllably improve the accuracy of tight-binding Hamiltonian matrices derived by projecting the solutions of plane-wave ab initio calculations on atomic orbital basis sets. By systematically increasing the…