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Direct simulation of biomolecular dynamics in thermal equilibrium is challenging due to the metastable nature of conformation dynamics and the computational cost of molecular dynamics. Biased or enhanced sampling methods may improve the…

Chemical Physics · Physics 2015-06-12 Benjamin Trendelkamp-Schroer , Frank Noe

In recent years efficient algorithms have been developed for the numerical computation of relativistic single-particle path integrals in quantum field theory. Here, we adapt this "worldline Monte Carlo" approach to the standard problem of…

We consider the numerical solution of scalar, nonlinear degenerate convection-diffusion problems with random diffusion coefficient and with random flux functions. Building on recent results on the existence, uniqueness and continuous…

Analysis of PDEs · Mathematics 2013-11-08 U. Koley , N. H. Risebro , Ch. Schwab , F. Weber

We study discrete-time simulation schemes for stochastic Volterra equations, namely the Euler and Milstein schemes, and the corresponding Multi-Level Monte-Carlo method. By using and adapting some results from Zhang [22], together with the…

Numerical Analysis · Mathematics 2022-03-08 Alexandre Richard , Xiaolu Tan , Fan Yang

We use the abstract method of (local) martingale problems in order to give criteria for convergence of stochastic processes. Extending previous notions, the formulation we use is neither restricted to Markov processes (or semimartingales),…

Probability · Mathematics 2021-08-27 David Criens , Peter Pfaffelhuber , Thorsten Schmidt

Estimating the probabilities of rare failure events is a key challenge in the reliability analysis of physical systems. Subset simulation (SS) is a very popular adaptive Monte Carlo method for this problem. In SS, the small failure…

Computation · Statistics 2026-05-25 Oindrila Kanjilal , Julien Bect

Dynamic epidemic models have proven valuable for public health decision makers as they provide useful insights into the understanding and prevention of infectious diseases. However, inference for these types of models can be difficult…

Methodology · Statistics 2018-10-30 Theresa Stocks

We propose an extension to Hawkes processes by treating the levels of self-excitation as a stochastic differential equation. Our new point process allows better approximation in application domains where events and intensities accelerate…

Machine Learning · Computer Science 2016-09-23 Young Lee , Kar Wai Lim , Cheng Soon Ong

This paper shows how one can use Sequential Monte Carlo methods to perform what is typically done using Markov chain Monte Carlo methods. This leads to a general class of principled integration and genetic type optimization methods based on…

Condensed Matter · Physics 2007-05-23 Pierre Del Moral , Arnaud Doucet

We consider the inverse problem of estimating the initial condition of a partial differential equation, which is only observed through noisy measurements at discrete time intervals. In particular, we focus on the case where Eulerian…

Computation · Statistics 2013-07-24 Nikolas Kantas , Alexandros Beskos , Ajay Jasra

Here we propose and implement a generalized mathematical model to find the time evolution of population in infectious diseases and apply the model to study the recent COVID-19 pandemic. Our model at the core is a non-local generalization of…

Populations and Evolution · Quantitative Biology 2020-05-01 Saumyak Mukherjee , Sayantan Mondal , Biman Bagchi

In this paper, we suggest a novel sampling method for Monte Carlo molecular simulations. In order to perform efficient sampling of molecular systems, it is advantageous to avoid extremely high energy configurations while also retaining the…

Computational Physics · Physics 2019-07-18 Katsuhiro Endo , Daisuke Yuhara , Kenji Yasuoka

Monte Carlo simulations have boosted the numerical study of several different physical systems and in particular, the canonical ensemble has been especially useful because of the existence of easy and efficient relaxation algorithms…

Statistical Mechanics · Physics 2019-10-29 G. Palma , A. Riveros

The basic problem in equilibrium statistical mechanics is to compute phase space average, in which Monte Carlo method plays a very important role. We begin with a review of nonlocal algorithms for Markov chain Monte Carlo simulation in…

Statistical Mechanics · Physics 2007-05-23 Jian-Sheng Wang

We revisit the classic Susceptible-Infected-Recovered (SIR) epidemic model and one of its nonlocal variations recently developed in \cite{Guan}. We introduce several new approaches to derive exact analytical solutions in the classical…

Analysis of PDEs · Mathematics 2021-06-24 Li , Guan , Dong Li , Ke Wang , Kun Zhao

We propose a new approach to quantize the marginals of the discrete Euler diffusion process. The method is built recursively and involves the conditional distribution of the marginals of the discrete Euler process. Analytically, the method…

Probability · Mathematics 2015-05-25 Gilles Pagès , Abass Sagna

Multidimensional continuous-time Markov jump processes $(Z(t))$ on $\mathbb{Z}^p$ form a usual set-up for modeling $SIR$-like epidemics. However, when facing incomplete epidemic data, inference based on $(Z(t))$ is not easy to be achieved.…

Methodology · Statistics 2014-01-03 Romain Guy , Catherine Larédo , Elisabeta Vergu

We put forward a simple procedure for extracting dynamical information from Monte Carlo simulations, by appropriate matching of the short-time diffusion tensor with its infinite-dilution limit counterpart, which is supposed to be known.…

Statistical Mechanics · Physics 2015-06-04 Sara Jabbari-Farouji , Emmanuel Trizac

In this paper we introduce an agent-based epidemiological model that generalizes the classical SIR model by Kermack and McKendrick. We further provide a multiscale approach to the derivation of a macroscopic counterpart via the mean-field…

Dynamical Systems · Mathematics 2022-03-31 Markus Schmidtchen , Oliver Tse , Stephan Wackerle

Inverse problem is ubiquitous in science and engineering, and Bayesian methodologies are often used to infer the underlying parameters. For high dimensional temporal-spatial models, classical Markov chain Monte Carlo (MCMC) methods are…

Computation · Statistics 2020-02-19 Qiang Liu , Xin T. Tong