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

The 2D/1D multiscale finite element method (MSFEM) is an efficient way to simulate rotating machines in which each iron sheet is exposed to the same field. It allows the reduction of the three dimensional sheet to a two dimensional…

The best way to combine the results of deep learning with standard 3D reconstruction pipelines remains an open problem. While systems that pass the output of traditional multi-view stereo approaches to a network for regularisation or…

The determination of potentials of mean force for solute insertion in a membrane by means of all-atom molecular dynamics simulations is often hampered by sampling issues. A multiscale approach to conformational sampling was recently…

Particle MCMC involves using a particle filter within an MCMC algorithm. For inference of a model which involves an unobserved stochastic process, the standard implementation uses the particle filter to propose new values for the stochastic…

Microscopic processes on surfaces such as adsorption, desorption, diffusion and reaction of interacting particles can be simulated using kinetic Monte Carlo (kMC) algorithms. Even though kMC methods are accurate, they are computationally…

We consider the problem of finding a basis of a matroid with weight exactly equal to a given target. Here weights can be discrete values from $\{-\Delta,\ldots,\Delta\}$ or more generally $m$-dimensional vectors of such discrete values. We…

We provide a two dimensional deformation model to describe how soft squishy circular particles respond to external forces and collisions. This model involves formulating mathematical equations and algorithms for the shape of a deformed…

In N-body simulations the force calculated between particles representing a given mass distribution is usually softened, to diminish the effect of graininess. In this paper we study the effect of such a smoothing, with the aim of finding an…

This paper concerns numerical assessment of Monte Carlo error in particle filters. We show that by keeping track of certain key features of the genealogical structure arising from resampling operations, it is possible to estimate variances…

We consider the maximum vertex-weighted matching problem (MVM), in which non-negative weights are assigned to the vertices of a graph, the weight of a matching is the sum of the weights of the matched vertices, and we are required to…

Finite mixtures of matrix normal distributions are a powerful tool for classifying three-way data in unsupervised problems. The distribution of each component is assumed to be a matrix variate normal density. The mixture model can be…

In this paper a deterministic preprocessing algorithm is presented, whose output can be given as input to most state-of-the-art epipolar geometry estimation algorithms, improving their results considerably. They are now able to succeed on…

The general applicability and ease of use of the pseudo-marginal Metropolis--Hastings (PMMH) algorithm, and particle Metropolis--Hastings in particular, makes it a popular method for inference on discretely observed Markovian stochastic…

We provide approximation algorithms for two problems, known as NECKLACE SPLITTING and $\epsilon$-CONSENSUS SPLITTING. In the problem $\epsilon$-CONSENSUS SPLITTING, there are $n$ non-atomic probability measures on the interval $[0, 1]$ and…

The splitting of photons in the presence of an intense magnetic field has recently found astrophysical applications in polar cap models of gamma-ray pulsars and in magnetar scenarios for soft gamma repeaters. Numerical computation of the…

We have extended the multilevel summation (MLS) method, originally developed to evaluate long-range Coulombic interactions in molecular dynamics (MD) simulations [Skeel et al., J. Comput. Chem., 23, 673 (2002)], to handle dispersion…

We consider the maximum vertex-weighted matching problem (MVM) for non-bipartite graphs. In earlier work we have described a 2/3-approximation algorithm for the MVM on bipartite graphs (Dobrian, Halappanavar, Pothen and Al-Herz, SIAM J.…

We present a method to approximate partition functions of quantum systems using mixed-state quantum computation. For positive semi-definite Hamiltonians, our method has expected running-time that is almost linear in $(M/(\epsilon_{\rm…

We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

For most optimisation methods an essential assumption is the vector space structure of the feasible set. This condition is not fulfilled if we consider optimisation problems over the sphere. We present an algorithm for solving a special…