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The optimal selection of experimental conditions is essential to maximizing the value of data for inference and prediction, particularly in situations where experiments are time-consuming and expensive to conduct. We propose a general…

Machine Learning · Statistics 2012-12-04 Xun Huan , Youssef M. Marzouk

Simulated annealing - moving from a tractable distribution to a distribution of interest via a sequence of intermediate distributions - has traditionally been used as an inexact method of handling isolated modes in Markov chain samplers.…

Computational Physics · Physics 2007-05-23 Radford M. Neal

In statistical mechanics, measuring the number of available states and their probabilities, and thus the system's entropy, enables the prediction of the macroscopic properties of a physical system at equilibrium. This predictive capacity…

Statistical Mechanics · Physics 2023-12-14 Mathias Casiulis , Stefano Martiniani

This paper introduces an equilibrium framework based on sequential sampling in which players face strategic uncertainty over their opponents' behavior and acquire informative signals to resolve it. Sequential sampling equilibrium delivers a…

Theoretical Economics · Economics 2023-11-03 Duarte Gonçalves

This paper presents a computationally efficient method for the optimal design of silica aerogel porous material systems, balancing thermal insulation performance with mechanical stability under stress concentrations. The proposed approach…

Computational Engineering, Finance, and Science · Computer Science 2025-04-03 Pratyush Kumar Singh , Danial Faghihi

Simulated annealing provides a heuristic solution to combinatorial optimization problems. The cost function of a problem is mapped onto the energy function of a physical many-body system, and, by using thermal or quantum fluctuations, the…

Statistical Mechanics · Physics 2025-12-05 Yoshiaki Horiike , Yuki Kawaguchi

The nonequilibrium steady state of an infinite-range Ising model is studied. The steady state is obtained by dividing the spins into two groups and attaching them to two heat baths generating spin flips at different temperatures. In the…

Statistical Mechanics · Physics 2011-11-29 Vivien Lecomte , Zoltan Racz , Frederic van Wijland

Probabilistic reasoning systems combine different probabilistic rules and probabilistic facts to arrive at the desired probability values of consequences. In this paper we describe the MESA-algorithm (Maximum Entropy by Simulated Annealing)…

Artificial Intelligence · Computer Science 2013-03-25 Gerhard Paaß

We present a modified simulated annealing method with a dynamical choice of the cooling temperature. The latter is determined via a closed-loop control and is proven to yield exponential decay of the entropy of the particle system. The…

Optimization and Control · Mathematics 2026-02-18 Michael Herty , Mattia Zanella

The limit of small entropy production is reached in relaxing systems long after preparation, and in stationary driven systems in the limit of small driving power. Surprisingly, for extended systems this limit is not in general the…

Condensed Matter · Physics 2009-10-31 Leticia F. Cugliandolo , Jorge Kurchan

Equilibrium statistical mechanics provides powerful tools to understand physics at the macroscale. Yet, the question remains how this can be justified based on a microscopic quantum description. Here, we extend the ideas of pure state…

Quantum Physics · Physics 2023-06-07 Neil Dowling , Pedro Figueroa-Romero , Felix A. Pollock , Philipp Strasberg , Kavan Modi

Stochastic simulators are an indispensable tool in many branches of science. Often based on first principles, they deliver a series of samples whose distribution implicitly defines a probability measure to describe the phenomena of…

Data Analysis, Statistics and Probability · Physics 2022-01-19 Chris Pollard , Philipp Windischhofer

A deterministic multiscale toy model is studied in which a chaotic fast subsystem triggers rare transitions between slow regimes, akin to weather or climate regimes. Using homogenization techniques, a reduced stochastic parametrization…

Data Analysis, Statistics and Probability · Physics 2012-04-11 Lewis Mitchell , Georg A. Gottwald

It is widely believed that the underlying reality behind statistical mechanics is a deterministic and unitary time evolution of a many-particle wave function, even though this is in conflict with the irreversible, stochastic nature of…

Statistical Mechanics · Physics 2017-05-16 Barbara Drossel

Advances in techniques for thermal sampling in classical and quantum systems would deepen understanding of the underlying physics. Unfortunately, one often has to rely solely on inexact numerical simulation, due to the intractability of…

Quantum Physics · Physics 2020-04-10 Jeffrey Marshall , Andrea Di Gioacchino , Eleanor G. Rieffel

A framework is presented for carrying out simulations of equilibrium systems in the microcanonical ensemble using annealing in an energy ceiling. The framework encompasses an equilibrium version of simulated annealing, population annealing…

Statistical Mechanics · Physics 2019-12-18 Nathan Rose , Jonathan Machta

Lack of knowledge about the detailed many-particle motion on the microscopic scale is a key issue in any theoretical description of a macroscopic experiment. For systems at or close to thermal equilibrium, statistical mechanics provides a…

Statistical Mechanics · Physics 2016-03-03 Peter Reimann

Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…

Chemical Physics · Physics 2021-12-22 Matteo Carli , Alessandro Laio

There are many atomistic simulation methods with very different costs, accuracies, transferabilities, and numbers of empirical parameters. I show how statistical model selection can compare these methods fairly, even when they are very…

Chemical Physics · Physics 2025-10-07 Jonathan E. Moussa

Thermodynamical equilibrium is considered as an effect of quantum entangling of the vacuum state of a system. An explicit mathematical model of multi- particle entangled pure quantum states is developed and analyzed. In the framework, the…

Quantum Physics · Physics 2007-05-23 A. Yu. Bogdanov , Yu. I. Bogdanov , K. A. Valiev