Related papers: Extended Ewald Summation Technique
The free energy landscapes of several fundamental processes are characterized by high barriers separating long-lived metastable states. In order to explore these type of landscapes enhanced sampling methods are used. While many such methods…
In this paper, we develop a two-stage distributed algorithm that enables nodes in a graph to cooperatively estimate the spectrum of a matrix $W$ associated with the graph, which includes the adjacency and Laplacian matrices as special…
This paper introduces a new method for the efficient computation of oscillatory multidimensional lattice sums in geometries with boundaries. Such sums are ubiquitous in both pure and applied mathematics, and have immediate applications in…
We introduce an approach to quickly and accurately approximate the cumulative distribution function of multivariate Gaussian distributions arising from spatial Gaussian processes. This approximation is trivially parallelizable and simple to…
This paper introduces a parallel-in-time algorithm for efficient steady-state solution of the eddy current problem. Its main idea is based on the application of the well-known multi-harmonic (or harmonic balance) approach as the coarse…
This study introduces a simplified model for bridge-vehicle interaction for medium- to long-span bridges subject to random traffic loads. Previous studies have focused on calculating the exact response of the vehicle or the bridge based on…
The Cahn--Hilliard equation is a widely used model that describes amongst others phase separation processes of binary mixtures or two-phase flows. In the recent years, different types of boundary conditions for the Cahn--Hilliard equation…
An approximation method is presented for probabilistic inference with continuous random variables. These problems can arise in many practical problems, in particular where there are "second order" probabilities. The approximation, based on…
We present an efficient approach to the electron correlation problem that is well-suited for strongly interacting many-body systems, but requires only mean-field-like computational cost. %which is based on orbital optimization of electron…
Recently, it is shown that the extended phase space formulation of quantum mechanics is a suitable technique for studying the quantum dissipative systems. Here, as a further application of this formalism, we consider a dissipative system of…
Fast Ewald summation efficiently evaluates Coulomb interactions and is widely used in molecular dynamics simulations. It is based on a split into a short-range and a long-range part, where evaluation of the latter is accelerated using the…
We derive and present explicit algorithms to facilitate streamlined computing for variational inference for models containing higher level random effects. Existing literature, such as Lee and Wand (2016), is such that streamlined…
Chance constraints provide a principled framework to mitigate the risk of high-impact extreme events by modifying the controllable properties of a system. The low probability and rare occurrence of such events, however, impose severe…
A mixture of shifted asymmetric Laplace distributions is introduced and used for clustering and classification. A variant of the EM algorithm is developed for parameter estimation by exploiting the relationship with the general inverse…
A highly accurate method for simulating surfactant-covered droplets in two-dimensional Stokes flow with solid boundaries is presented. The method handles both periodic channel flows of arbitrary shape and stationary solid constrictions. A…
We proposed a new technique to accelerate sampling methods for solving difficult optimization problems. Our method investigates the intrinsic connection between posterior distribution sampling and optimization with Langevin dynamics, and…
As Gaussian processes are used to answer increasingly complex questions, analytic solutions become scarcer and scarcer. Monte Carlo methods act as a convenient bridge for connecting intractable mathematical expressions with actionable…
We define a novel class of additive models, called Extended Latent Gaussian Models, that allow for a wide range of response distributions and flexible relationships between the additive predictor and mean response. The new class covers a…
The proposed numerical method, "FLAME-slab," solves electromagnetic wave scattering problems for aperiodic slab structures by exploiting short-range regularities in these structures. The computational procedure involves special difference…
The iteration dynamics of the coupled cluster equations exhibits a synergistic relationship among the cluster amplitudes. The iteration scheme may be viewed as a multivariate discrete-time propagation of nonlinearly coupled equations, which…