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The Information Bottleneck (IB) objective uses information theory to formulate a task-performance versus robustness trade-off. It has been successfully applied in the standard discriminative classification setting. We pose the question…

Machine Learning · Computer Science 2021-01-13 Lynton Ardizzone , Radek Mackowiak , Carsten Rother , Ullrich Köthe

Stochastic thermodynamics lays down a broad framework to revisit the venerable concepts of heat, work and entropy production for individual stochastic trajectories of mesoscopic systems. Remarkably, this approach, relying on stochastic…

Statistical Mechanics · Physics 2023-01-31 David Guéry-Odelin , Christopher Jarzynski , Carlos A. Plata , Antonio Prados , Emmanuel Trizac

A Boltzmann machine is a stochastic neural network that has been extensively used in the layers of deep architectures for modern machine learning applications. In this paper, we develop a Boltzmann machine that is capable of modelling…

Statistical Mechanics · Physics 2016-10-18 Giacomo Torlai , Roger G. Melko

The immersed boundary (IB) method is a mathematical and numerical framework for problems of fluid-structure interaction, treating the particular case in which an elastic structure is immersed in a viscous incompressible fluid. The IB…

Computational Engineering, Finance, and Science · Computer Science 2017-03-29 Boyce E. Griffith

Discovering the underlying dynamics of complex systems from data is an important practical topic. Constrained optimization algorithms are widely utilized and lead to many successes. Yet, such purely data-driven methods may bring about…

Dynamical Systems · Mathematics 2023-05-17 Nan Chen , Yinling Zhang

Computer simulations generate trajectories at a single, well-defined thermodynamic state point. Statistical reweighting offers the means to reweight static and dynamical properties to different equilibrium state points by means of analytic…

Computational Physics · Physics 2019-12-25 Marius Bause , Timon Wittenstein , Kurt Kremer , Tristan Bereau

We study the informational underpinnings of thermodynamics and statistical mechanics, using an abstract framework, general probabilistic theories, capable of describing arbitrary physical theories. This allows one to abstract the…

Quantum Physics · Physics 2019-01-25 Carlo Maria Scandolo

We provide a stochastic thermodynamic description across scales for $N$ identical units with all-to-all interactions that are driven away from equilibrium by different reservoirs and external forces. We start at the microscopic level with…

Statistical Mechanics · Physics 2020-07-07 Tim Herpich , Tommaso Cossetto , Gianmaria Falasco , Massimiliano Esposito

Molecular dynamics with the stochastic process provides a convenient way to compute structural and thermodynamic properties of chemical, biological, and materials systems. It is demonstrated that the virtual dynamics case that we proposed…

Statistical Mechanics · Physics 2018-03-20 Dezhang Li , Zifei Chen , Zhijun Zhang , Jian Liu

Predictive Physics has been historically based upon the development of mathematical models that describe the evolution of a system under certain external stimuli and constraints. The structure of such mathematical models relies on a set of…

Machine Learning · Computer Science 2020-11-24 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose A. Sanz-Herrera , Manuel Doblaré

We discuss the two-dimensional motion of a Brownian particle that is confined to a harmonic trap and driven by a shear flow. The surrounding medium induces memory effects modelled by a linear, typically nonreciprocal coupling of the…

Statistical Mechanics · Physics 2024-04-26 Lea Fernandez , Siegfried Hess , Sabine H. L. Klapp

The thermodynamic binding networks (TBN) model is a tool for studying engineered molecular systems. The TBN model allows one to reason about their behavior through a simplified abstraction that ignores details about molecular composition,…

Emerging Technologies · Computer Science 2021-05-13 David Haley , David Doty

Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic Thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational…

Statistical Mechanics · Physics 2015-10-19 Bernhard Altaner , Artur Wachtel , Jürgen Vollmer

Time-lapse microscopy imaging provides direct access to the dynamics of soft and living systems. At mesoscopic scales, such microscopy experiments reveal intrinsic fluctuations, which may have both thermal and non-equilibrium origins. These…

Biological Physics · Physics 2020-12-02 F. S. Gnesotto , G. Gradziuk , P. Ronceray , C. P. Broedersz

The problem of the insensitivity of the macroscopic behavior of any thermodynamical system to partitioning generates a bias between the reproducibility of its macroscopic behavior viewed as the simplest form of causality and its long-term…

General Physics · Physics 2007-05-23 Maria K. Koleva

Physics-informed neural networks (PINNs) offer a unified framework for solving both forward and inverse problems of differential equations, yet their performance and physical consistency strongly depend on how governing laws are…

Machine Learning · Computer Science 2026-03-31 Guojie Li , Liu Hong

We introduce a machine-learning approach for identifying hidden structural features of open quantum dynamics under restricted experimental access. Unlike most existing data-driven methods which focus on detection or prediction of dynamical…

Quantum Physics · Physics 2026-04-02 Alexander Teretenkov , Sergey Kuznetsov , Alexander Pechen

Substitution of well-grounded theoretical models by data-driven predictions is not as simple in engineering and sciences as it is in social and economic fields. Scientific problems suffer most times from paucity of data, while they may…

Machine Learning · Computer Science 2020-11-18 Jacobo Ayensa-Jiménez , Mohamed H. Doweidar , Jose Antonio Sanz-Herrera , Manuel Doblaré

Accurate characterization of the equilibrium distributions of complex molecular systems and their dependence on environmental factors such as temperature is essential for understanding thermodynamic properties and transition mechanisms.…

Machine Learning · Computer Science 2025-07-08 Yunrui Qiu , Richard John , Lukas Herron , Pratyush Tiwary

The understanding of the statistical properties and of the dynamics of multistable systems is gaining more and more importance in a vast variety of scientific fields. This is especially relevant for the investigation of the tipping points…

Atmospheric and Oceanic Physics · Physics 2011-09-06 Valerio Lucarini , Davide Faranda , Matteo Willeit