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There is a vast body of theoretical research on lifted inference in probabilistic graphical models (PGMs). However, few demonstrations exist where lifting is applied in conjunction with top of the line applied algorithms. We pursue the…
We discuss the computational performance of the adaptive resolution technique in molecular simulation when it is compared with equivalent full coarse-grained and full atomistic simulations. We show that an estimate of its efficiency, within…
We strengthen the classical approximation theorems of Weierstrass, Runge and Mergelyan by showing the polynomial and rational approximants can be taken to have a simple geometric structure. In particular, when approximating a function $f$…
We consider the problem of optimizing the sum of a smooth convex function and a non-smooth convex function using proximal-gradient methods, where an error is present in the calculation of the gradient of the smooth term or in the proximity…
Variational quantum circuits (VQCs) have shown great potential in near-term applications. However, the discriminative power of a VQC, in connection to its circuit architecture and depth, is not understood. To unleash the genuine…
A known first order method to find a feasible solution to a conic problem is an adapted von Neumann algorithm. We improve the distance reduction step there by projecting onto the convex hull of previously generated points using a primal…
Let $H_k = 1 + 1/2 + 1/3 + \cdots + 1/k$ denote the $k$th harmonic number. We present an easy-to-implement algorithm for the computation of explicit closed-form evaluations, in terms of the digamma and polygamma functions, for Euler sums of…
In \cite{liu2022practical}, a general algorithm is developed to efficiently obtain the best accuracy using the regular refinement. The adaptive refinement allows for obtaining an accuracy with a smaller number of DoFs compared with the…
We study the expressibility and learnability of convex optimization solution functions and their multi-layer architectural extension. The main results are: \emph{(1)} the class of solution functions of linear programming (LP) and quadratic…
Alternative expressions for calculating the oblate spheroidal radial functions of both kinds R1ml and R2ml are shown to provide accurate values over very large parameter ranges using 64 bit arithmetic, even where the traditional expressions…
This paper introduced a matrix parametrization method based on the Loeffler discrete cosine transform (DCT) algorithm. As a result, a new class of eight-point DCT approximations was proposed, capable of unifying the mathematical formalism…
Finite-precision floating point arithmetic unavoidably introduces rounding errors which are traditionally bounded using a worst-case analysis. However, worst-case analysis might be overly conservative because worst-case errors can be…
Uniqueness problems in the elliptic sector of constrained formulations of Einstein equations have a dramatic effect on the physical validity of some numerical solutions, for instance when calculating the spacetime of very compact stars or…
The quantum error correction theory is as a rule formulated in a rather convoluted way, in comparison to classical algebraic theory. This work revisits the error correction in a noisy quantum channel so as to make it intelligible to…
Let $w$ be an unbounded radial weight on the complex plane. We study the following approximation problem: find a proper holomorphic map $f: \mathbb{C}\to\mathbb{C}^n$ such that $|f|$ is equivalent to $w$. We give several characterizations…
This paper summarizes the work on implementing few solutions for the Steiner Tree problem which we undertook in the PAAL project. The main focus of the project is the development of generic implementations of approximation algorithms…
We investigate the convergence properties of exact and inexact forward-backward algorithms to minimise the sum of two weakly convex functions defined on a Hilbert space, where one has a Lipschitz-continuous gradient. We show that the exact…
The known Complex Step Derivative (CSD) method allows easy and accurate differentiation up to machine precision of real analytic functions by evaluating them a small imaginary step next to the real number line. The current paper proposes…
Computationally efficient numerical methods for high-order approximations of convolution integrals involving weakly singular kernels find many practical applications including those in the development of fast quadrature methods for…
Harmonic polylogarithms $\H(\vec{a};x)$, a generalization of Nielsen's polylogarithms ${S}_{n,p}(x)$, appear frequently in analytic calculations of radiative corrections in quantum field theory. We present an algorithm for the numerical…