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We present a closed-form, computable expression for the expected number of times any transition event occurs during the transient phase of a reducible Markov chain. Examples of events include time to absorption, number of visits to a state,…

Probability · Mathematics 2017-06-09 Brian D. Ewald , Jeffrey Humpherys , Jeremy West

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

Recently, there have been efforts towards understanding the sampling behaviour of event-triggered control (ETC), for obtaining metrics on its sampling performance and predicting its sampling patterns. Finite-state abstractions, capturing…

Systems and Control · Electrical Eng. & Systems 2022-06-09 Giannis Delimpaltadakis , Luca Laurenti , Manuel Mazo

A theory for thermodynamic induction (TI) under isothermal conditions is presented. This includes a treatment of the Helmholtz free energy budget available for a gate variable to utilize towards aiding another variable's approach towards…

Mesoscale and Nanoscale Physics · Physics 2021-10-07 S. N. Patitsas

Measuring entropy production of a system directly from the experimental data is highly desirable since it gives a quantifiable measure of the time-irreversibility for non-equilibrium systems and can be used as a cost function to optimize…

Statistical Mechanics · Physics 2024-07-16 Prashant Singh , Karel Proesmans

Parallel tempering (PT) methods are a popular class of Markov chain Monte Carlo schemes used to sample complex high-dimensional probability distributions. They rely on a collection of $N$ interacting auxiliary chains targeting tempered…

Computation · Statistics 2021-07-28 Saifuddin Syed , Alexandre Bouchard-Côté , George Deligiannidis , Arnaud Doucet

We study the multiple definitions of the entropy production for discrete-time Markov processes in single systems and composite systems. These definitions have been studied in single systems, but less so in composite systems. With a clear…

Statistical Mechanics · Physics 2025-05-30 Masanao Igarashi

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

The transfer entropy is a well-established measure of information flow, which quantifies directed influence between two stochastic time series and has been shown to be useful in a variety fields of science. Here we introduce the transfer…

Statistical Mechanics · Physics 2018-07-23 Sosuke Ito

Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…

Soft Condensed Matter · Physics 2022-09-26 Margarita Colberg , Jeremy Schofield

The length-scale dependence of the dynamic entropy is studied in a molecular dynamics simulation of a binary Lennard-Jones liquid above the mode-coupling critical temperature $T_c$. A number of methods exist for estimating the entropy of…

Soft Condensed Matter · Physics 2009-10-31 Paolo Allegrini , Jack F. Douglas , Sharon C. Glotzer

The Ising model describes collective behaviors such as phase transitions and critical phenomena in various physical, biological, economical, and social systems. It is well-known that spontaneous phase transition at finite temperature does…

Statistical Mechanics · Physics 2024-03-28 Weiguo Yin

The Sachdev-Ye-Kitaev model is an $N$-modes fermionic model with infinite range random interactions. In this work, we study the thermal R\'enyi entropy for a subsystem of the SYK model using the path-integral formalism in the large-$N$…

Strongly Correlated Electrons · Physics 2020-07-01 Pengfei Zhang , Chunxiao Liu , Xiao Chen

Accurate characterization of entropy plays a pivotal role in capturing reversible and irreversible heating in supercapacitors during charging/discharging cycles. However, numerical methods that can faithfully capture entropy variation in…

Numerical Analysis · Mathematics 2024-09-17 Jie Ding , Xiang Ji , Shenggao Zhou

Entropy production (EP) is a central measure in nonequilibrium thermodynamics, as it can quantify the irreversibility of a process as well as its energy dissipation in special cases. Using the time-reversal asymmetry in a system's path…

Statistical Mechanics · Physics 2022-04-26 Dong-Kyum Kim , Sangyun Lee , Hawoong Jeong

Characterizing the entropy of a system is a crucial, and often computationally costly, step in understanding its thermodynamics. It plays a key role in the study of phase transitions, pattern formation, protein folding and more. Current…

Statistical Mechanics · Physics 2020-12-02 Amit Nir , Eran Sela , Roy Beck , Yohai Bar-Sinai

A consistent description of simultaneous heat and particle transport, including cross effects, and the associated entropy balance is given in the framework of a deterministic dynamical system. This is achieved by a multibaker map where,…

chao-dyn · Physics 2009-10-31 Laszlo Matyas , Tamas Tel , Jurgen Vollmer

Statistical model checking avoids the exponential growth of states associated with probabilistic model checking by estimating properties from multiple executions of a system and by giving results within confidence bounds. Rare properties…

Performance · Computer Science 2012-01-26 Cyrille Jégourel , Axel Legay , Sean Sedwards

We formulate a stochastic description of entropy production in scattering theory for coherent transport. We distinguish between the information entropy change due to partial knowledge of the leads' state and the thermodynamic entropy change…

Mesoscale and Nanoscale Physics · Physics 2026-04-29 Ludovico Tesser , Henning Kirchberg , Matteo Acciai , Janine Splettstoesser

Estimating the entropy based on data is one of the prototypical problems in distribution property testing and estimation. For estimating the Shannon entropy of a distribution on $S$ elements with independent samples, [Paninski2004] showed…

Machine Learning · Computer Science 2018-09-25 Yanjun Han , Jiantao Jiao , Chuan-Zheng Lee , Tsachy Weissman , Yihong Wu , Tiancheng Yu