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Markov Chain Monte Carlo (MCMC) methods are algorithms for sampling probability distributions, commonly applied to the Boltzmann distribution in physical and chemical models such as protein folding and the Ising model. These methods enable…

Quantum Physics · Physics 2025-12-04 Aingeru Ramos , Jose A. Pascual , Javier Navaridas , Ivan Coluzza

Monte Carlo methods are widely used to estimate observables in many-body quantum systems. However, conventional sampling schemes often require a large number of samples to achieve sufficient accuracy. In this work we propose the…

Quantum Physics · Physics 2026-01-29 Wenxuan Zhang , Dingzu Wang , Dario Poletti

Many epidemic processes in networks spread by stochastic contacts among their connected vertices. There are two limiting cases widely analyzed in the physics literature, the so-called contact process (CP) where the contagion is expanded at…

Computational Physics · Physics 2010-02-19 S. Gomez , A. Arenas , J. Borge-Holthoefer , S. Meloni , Y. Moreno

Neural network design has utilized flexible nonlinear processes which can mimic biological systems, but has suffered from a lack of traceability in the resulting network. Graphical probabilistic models ground network design in probabilistic…

Machine Learning · Computer Science 2015-06-19 Kenric P. Nelson , Madalina Barbu , Brian J. Scannell

Statistical inference in evolutionary models with site-dependence is a long-standing challenge in phylogenetics and computational biology. We consider the problem of approximating marginal sequence likelihoods under dependent-site models of…

Computation · Statistics 2025-11-12 Joseph Mathews , Scott C. Schmidler

In order to explore the effects of high levels of electron correlation on the real-time coupled cluster formalism and algorithmic behavior, we introduce a time-dependent implementation of the CC3 singles, doubles and approximate triples…

Chemical Physics · Physics 2025-01-23 Zhe Wang , Håkon Emil Kristiansen , Thomas Bondo Pedersen , T. Daniel Crawford

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. This paper studies the continuous and discrete formulations of three existing approaches for the…

Computational Engineering, Finance, and Science · Computer Science 2022-03-25 Patrick Diehl , Serge Prudhomme

We elaborate the idea behind Markov chain Monte Carlo (MCMC) methods in a mathematically coherent, yet simple and understandable way. To this end, we proof a pivotal convergence theorem for finite Markov chains and a minimal version of the…

Statistics Theory · Mathematics 2019-07-30 Tobias Siems

When drawing causal inferences about the effects of multiple treatments on clustered survival outcomes using observational data, we need to address implications of the multilevel data structure, multiple treatments, censoring and unmeasured…

Methodology · Statistics 2022-02-18 Liangyuan Hu , Jiayi Ji , Ronald D. Ennis , Joseph W. Hogan

Monte Carlo sampling methods often suffer from long correlation times. Consequently, these methods must be run for many steps to generate an independent sample. In this paper a method is proposed to overcome this difficulty. The method…

Computation · Statistics 2007-09-13 Jonathan Weare

Compartmentalization of biochemical processes underlies all biological systems, from the organelle to the tissue scale. Theoretical models to study the interplay between noisy reaction dynamics and compartmentalization are sparse, and…

Quantitative Methods · Quantitative Biology 2022-06-08 Lorenzo Duso , Christoph Zechner

We develop an inertial coupling method for modeling the dynamics of point-like 'blob' particles immersed in an incompressible fluid, generalizing previous work for compressible fluids. The coupling consistently includes excess (positive or…

Soft Condensed Matter · Physics 2015-08-06 F. Balboa Usabiaga , R. Delgado-Buscalioni , B. E. Griffith , A. Donev

While LLMs have grown popular in sequence labeling, linear-chain conditional random fields (CRFs) remain a popular alternative with the ability to directly model interactions between labels. However, the Markov assumption limits them to %…

Machine Learning · Computer Science 2025-06-17 Sean Papay , Roman Klinger , Sebastian Pado

In this article a stochastic particle system approximation to the parametric sensitivity in the Smoluchowski coagulation equation is introduced. The parametric sensitivity is the derivative of the solution to the equation with respect to…

Probability · Mathematics 2016-09-08 I. Bailleul , P. L. W. Man , M. Kraft

Reaction networks are often used to model interacting species in fields such as biochemistry and ecology. When the counts of the species are sufficiently large, the dynamics of their concentrations are typically modeled via a system of…

Numerical Analysis · Mathematics 2022-01-05 David F. Anderson , Kurt W. Ehlert

The use of stochastic models, in effect piecewise deterministic Markov processes (PDMP), has become increasingly popular especially for the modeling of chemical reactions and cell biophysics. Yet, exact simulation methods, for the…

Numerical Analysis · Mathematics 2015-04-28 Romain Veltz

This article focuses, in the context of epidemic models, on rare events that may possibly correspond to crisis situations from the perspective of Public Health. In general, no close analytic form for their occurrence probabilities is…

Applications · Statistics 2013-08-28 Stéphan Clémençon , Anthony Cousien , Miraine Dávila Felipe , Viet Chi Tran

The existing literature on stochastic simulation of chemical reaction networks has a tendency to move as quickly as possible to the abstract formulation of the stochastic dynamics in terms of probabilities based on the concept of the…

Statistics Theory · Mathematics 2007-06-13 Sergey Plyasunov

Synaptic plasticity and neuron cross-talk are some of the important key mechanisms underlying formation of dynamic clusters of active neurons. The essence of this study is to model and decipher the mechanism of emergence of a task-specific…

Neurons and Cognition · Quantitative Biology 2021-08-03 Jasleen Gund , R. K. Brojen Singh

Gaussian processes (GPs) are frequently used in machine learning and statistics to construct powerful models. However, when employing GPs in practice, important considerations must be made, regarding the high computational burden,…

Computation · Statistics 2021-03-08 Karla Monterrubio-Gómez , Sara Wade
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