相关论文: How to mesh up Ewald sums (II): An accurate error …

Given a weighted graph $G$ with $n$ vertices and $m$ edges, and a positive integer $p$, the Hamiltonian $p$-median problem consists in finding $p$ cycles of minimum total weight such that each vertex of $G$ is in exactly one cycle. We…

This paper presents a quantum algorithm for efficiently computing partial sums and specific weighted partial sums of quantum state amplitudes. Computation of partial sums has important applications, including numerical integration,…

Particle smoothers are widely used algorithms allowing to approximate the smoothing distribution in hidden Markov models. Existing algorithms often suffer from slow computational time or degeneracy. We propose in this paper a way to improve…

We introduce the EMC algorithm for reconstructing a particle's 3D diffraction intensity from very many photon shot-noise limited 2D measurements, when the particle orientation in each measurement is unknown. The algorithm combines a…

Ewald summation is widely used to calculate electrostatic interactions in computer simulations of condensed-matter systems. We present an analysis of the errors arising from truncating the infinite real- and Fourier-space lattice sums in…

Understanding algorithmic error accumulation in quantum simulation is crucial due to its fundamental significance and practical applications in simulating quantum many-body system dynamics. Conventional theories typically apply the triangle…

Finite mixture models have been widely used for the modelling and analysis of data from heterogeneous populations. Maximum likelihood estimation of the parameters is typically carried out via the Expectation-Maximization (EM) algorithm. The…

Many Multi-View-Stereo algorithms extract a 3D mesh model of a scene, after fusing depth maps into a volumetric representation of the space. Due to the limited scalability of such representations, the estimated model does not capture fine…

In this work, we introduce the Kaiser-Bessel interpolation basis for the particle-mesh interpolation in the fast Ewald method. A reliable a priori error estimate is developed to measure the accuracy of the force computation in correlated…

This article is the updated version of the paper: "Combined 3D thinning and greedy algorithm to approximate realistic particles with corrected mechanical properties, Granular Matter (2019)" by the first author [58]. The main changes here…

Quasi-2D Coulomb systems are of fundamental importance and have attracted much attention in many areas nowadays. Their reduced symmetry gives rise to interesting collective behaviors, but also brings great challenges for particle-based…

We give efficient algorithms for finding power-sum decomposition of an input polynomial $P(x)= \sum_{i\leq m} p_i(x)^d$ with component $p_i$s. The case of linear $p_i$s is equivalent to the well-studied tensor decomposition problem while…

This study presents two different machine learning approaches for the modeling of hydrodynamic force on particles in a particle-laden multiphase flow. Results from particle-resolved direct numerical simulations (PR-DNS) of flow over a…

The Brent-McMillan algorithm B3 (1980), when implemented with binary splitting, is the fastest known algorithm for high-precision computation of Euler's constant. However, no rigorous error bound for the algorithm has ever been published.…

We present a new method, in the following called MMM2D, to accurately calculate the electrostatic energy and forces on charges being distributed in a two dimensional periodic array of finite thickness. It is not based on an Ewald summation…

This paper studies the problem of estimating the means $\pm\theta_{*}\in\mathbb{R}^{d}$ of a symmetric two-component Gaussian mixture $\delta_{*}\cdot N(\theta_{*},I)+(1-\delta_{*})\cdot N(-\theta_{*},I)$ where the weights $\delta_{*}$ and…

We consider the problem of designing efficient particle filters for twisted Feynman--Kac models. Particle filters using twisted models can deliver low error approximations of statistical quantities and such twisting functions can be learnt…

Finite mixtures of skew distributions provide a flexible tool for modelling heterogeneous data with asymmetric distributional features. However, parameter estimation via the Expectation-Maximization (EM) algorithm can become very…

Dielectrically confined Coulomb systems are widely employed in molecular dynamics (MD) simulations. Despite extensive efforts in developing efficient and accurate algorithms for these systems, rigorous and accurate error estimates, which…

We consider the problem of determining the weights of a quantum ensemble. That is to say, given a quantum system that is in a set of possible known states according to an unknown probability law, we give strategies to estimate the…