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We introduce an efficient, scalable Monte Carlo algorithm to simulate cross-linked architectures of freely-jointed and discrete worm-like chains. Bond movement is based on the discrete tractrix construction, which effects conformational…

Soft Condensed Matter · Physics 2010-12-27 Henry E. Amuasi , Cornelis Storm

A large number and diversity of techniques have been offered in the literature in recent years for solving multi-label classification tasks, including classifier chains where predictions are cascaded to other models as additional features.…

Machine Learning · Computer Science 2019-07-19 Jesse Read , Luca Martino

We report extensive simulations of the relaxation dynamics of a self-avoiding polymer confined inside a cylindrical pore. In particular, we concentrate on examining how confinement influences the scaling behavior of the global relaxation…

Soft Condensed Matter · Physics 2009-11-13 A. Arnold , B. Bozorgui , D. Frenkel , B. -Y. Ha , S. Jun

We study the extinction of long-lived epidemics on finite complex networks induced by intrinsic noise. Applying analytical techniques to the stochastic Susceptible-Infected-Susceptible model, we predict the distribution of large…

Physics and Society · Physics 2017-05-31 Jason Hindes , Ira B. Schwartz

Demand for high-performance, robust, and safe autonomous systems has grown substantially in recent years. These objectives motivate the desire for efficient safety-theoretic reasoning that can be embedded in core decision-making tasks such…

Robotics · Computer Science 2022-12-27 Kristoffer M. Frey , Ted J. Steiner , Jonathan P. How

When the local intrinsic stiffness of a polymer chain varies over a wide range, one can observe both a crossover from rigid-rod-like behavior to (almost) Gaussian random coils and a further crossover towards self-avoiding walks in good…

Soft Condensed Matter · Physics 2015-03-17 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

The purpose of this paper is to introduce a new Markov chain Monte Carlo method and exhibit its efficiency by simulation and high-dimensional asymptotic theory. Key fact is that our algorithm has a reversible proposal transition kernel,…

Methodology · Statistics 2014-12-22 Kengo Kamatani

This paper focuses on the probability that a portion of DNA closes on itself through thermal fluctuations. We investigate the dependence of this probability upon the size r of a protein bridge and/or the presence of a kink at half DNA…

Soft Condensed Matter · Physics 2007-05-23 Nicolas Douarche , Simona Cocco

Using the pruned-enriched Rosenbluth Monte Carlo algorithm, the scattering functions of semiflexible macromolecules in dilute solution under good solvent conditions are estimated both in $d=2$ and $d=3$ dimensions, considering also the…

Soft Condensed Matter · Physics 2015-06-11 Hsiao-Ping Hsu , Wolfgang Paul , Kurt Binder

Some recent work pointed out the usefulness of taking a large-deviation perspective when trying to extract anything resembling a macroscopic order parameter from a computer simulation. In this paper we note that the end-to-end distance of…

Soft Condensed Matter · Physics 2026-03-20 Eleftherios Mainas , Jan Tobochnik , Richard Stratt

An active loop-extrusion mechanism is regarded as the main out--of--equilibrium mechanism responsible for the structuring of megabase-sized domains in chromosomes. We developed a model to study the dynamics of the chromosome fibre by…

Biomolecules · Quantitative Biology 2020-09-30 M. Crippa , Y. Zhan , G. Tiana

We use a bath of chaotic surface waves in water to mechanically and macroscopically mimic the thermal behavior of a short articulated chain with only nearest-neighbor interactions. The chaotic waves provide isotropic and random agitation to…

Soft Condensed Matter · Physics 2015-03-05 Kyle J. Welch , Clayton S. G. Kilmer , Eric I. Corwin

In molecular simulations, efficient methods for investigating equilibration and slow relaxation in dense systems are crucial yet challenging. This study focuses on the diffusional characteristics of monodisperse hard disk systems at…

Soft Condensed Matter · Physics 2024-10-21 Daigo Mugita , Masaharu Isobe

This paper presents a tool for addressing a key component in many algorithms for planning robot trajectories under uncertainty: evaluation of the safety of a robot whose actions are governed by a closed-loop feedback policy near a nominal…

Robotics · Computer Science 2017-06-05 Edward Schmerling , Marco Pavone

We implement a scale-free version of the pivot algorithm and use it to sample pairs of three-dimensional self-avoiding walks, for the purpose of efficiently calculating an observable that corresponds to the probability that pairs of…

Statistical Mechanics · Physics 2017-06-28 Nathan Clisby

Rejection Sampling is a fundamental Monte-Carlo method. It is used to sample from distributions admitting a probability density function which can be evaluated exactly at any given point, albeit at a high computational cost. However,…

Machine Learning · Statistics 2018-10-23 Juliette Achdou , Joseph C. Lam , Alexandra Carpentier , Gilles Blanchard

Active loop extrusion - the process of formation of dynamically growing chromatin loops due to the motor activity of DNA-binding protein complexes - is firmly established mechanism responsible for chromatin spatial organization at different…

Statistical Mechanics · Physics 2023-01-11 Sergey Belan , Vladimir Parfenyev

The asymptotic survival probability of a spherical target in the presence of a single subdiffusive trap or surrounded by a sea of subdiffusive traps in a continuous Euclidean medium is calculated. In one and two dimensions the survival…

Statistical Mechanics · Physics 2011-11-10 Santos Bravo Yuste , Katja Lindenberg

In this paper a method based on a Markov chain Monte Carlo (MCMC) algorithm is proposed to compute the probability of a rare event. The conditional distribution of the underlying process given that the rare event occurs has the probability…

Probability · Mathematics 2012-11-12 Thorbjörn Gudmundsson , Henrik Hult

Compact polymers are self-avoiding random walks which visit every site on a lattice. This polymer model is used widely for studying statistical problems inspired by protein folding. One difficulty with using compact polymers to perform…

Soft Condensed Matter · Physics 2009-11-11 Richard Oberdorf , Allison Ferguson , Jesper L. Jacobsen , Jane' Kondev