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Related papers: Time-Irreversibility is Hidden Within Newtonian Me…

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Many non-equilibrium, active processes are observed at a coarse-grained level, where different microscopic configurations are projected onto the same observable state. Such "lumped" observables display memory, and in many cases the…

Statistical Mechanics · Physics 2024-04-29 Kristian Blom , Kevin Song , Etienne Vouga , Aljaž Godec , Dmitrii E. Makarov

Machine Learning Interatomic Potentials (MLIPs) achieve near ab initio accuracy at a fraction of the cost of quantum-mechanical simulations, yet they remain prone to silent failures on out-of-distribution configurations, making principled…

Computational Engineering, Finance, and Science · Computer Science 2026-05-27 Olga Zaghen , Maksim Zhdanov , Dario Coscia , David R. Wessels , Erik J. Bekkers

Deriving an arrow of time from time-reversal symmetric microscopic dynamics is a fundamental open problem in many areas of physics, ranging from cosmology, to particle physics, to thermodynamics and statistical mechanics. Here we focus on…

Quantum Physics · Physics 2025-01-31 Thomas Guff , Chintalpati Umashankar Shastry , Andrea Rocco

We propose to solve inverse problems involving the temporal evolution of physics systems by leveraging recent advances from diffusion models. Our method moves the system's current state backward in time step by step by combining an…

Machine Learning · Computer Science 2023-12-06 Benjamin J. Holzschuh , Simona Vegetti , Nils Thuerey

All of the basic microsopic physical laws are time reversible. In contrast, the second law of thermodynamics, which is a macroscopic physical representation of the world, is able to describe irreversible processes in an isolated system…

Chemical Physics · Physics 2015-06-19 Roland Riek

Living systems are fundamentally irreversible, breaking detailed balance and establishing an arrow of time. But how does the evident arrow of time for a whole system arise from the interactions among its multiple elements? We show that the…

Statistical Mechanics · Physics 2022-09-21 Christopher W. Lynn , Caroline M. Holmes , William Bialek , David J. Schwab

This manuscript aims to illustrate a quantum-classical dissipative theory (suited to be converted to effective algorithms for numerical simulations) within the long-term project of studying molecular processes in the brain. Other…

Neurons and Cognition · Quantitative Biology 2025-03-04 Alessandro Sergi , Antonino Messina , Rosalba Saija , Gabriella Martino , Maria Teresa Caccamo , Min-Fang Kuo , Michael A. Nitsche

The time irreversibility problem is the dichotomy of the reversible microscopic dynamics and the irreversible macroscopic physics. This problem was considered by Boltzmann, Poincar\'e, Bogolyubov and many other authors and though some…

Statistical Mechanics · Physics 2009-09-05 Igor V. Volovich

Machine learning is playing an increasing role in the physical sciences and significant progress has been made towards embedding domain knowledge into models. Less explored is its use to discover interpretable physical laws from data. We…

Machine Learning · Computer Science 2020-12-18 Saaketh Desai , Alejandro Strachan

We propose a new variational inference algorithm for learning in Gaussian Process State-Space Models (GPSSMs). Our algorithm enables learning of unstable and partially observable systems, where previous algorithms fail. Our main algorithmic…

Machine Learning · Computer Science 2020-06-11 Silvan Melchior , Sebastian Curi , Felix Berkenkamp , Andreas Krause

Identifying dissipation is essential for understanding the physical mechanisms underlying nonequilibrium processes. {In living systems, for example, the dissipation is directly related to the hydrolysis of fuel molecules such as adenosine…

Statistical Mechanics · Physics 2019-09-02 Ignacio A. Martínez , Gili Bisker , Jordan M. Horowitz , Juan M. R. Parrondo

After a discussion on the state of local equilibrium with temperature inhomogeneity, comparing mixture state reprsentation in statistical mechanics and pure state representation in thermo field dynamics, a simple model is solved to show…

Condensed Matter · Physics 2007-05-23 Hiroshi Ezawa , Koichi Nakamura , Keiji Watanabe

We present a conservative/dissipative time integration scheme for nonlinear mechanical systems. Starting from a weak form, we derive algorithmic forces and velocities that guarantee the desired conservation/dissipation properties. Our…

Numerical Analysis · Mathematics 2019-11-01 Cristian G. Gebhardt , Ignacio Romero , Raimund Rolfes

We consider the finite-timestep Brownian dynamics of a single particle confined in one dimension, with a nonuniform temperature profile. In such an open-boundary scenario, one cannot observe any net probability current in the nonequilibrium…

Statistical Mechanics · Physics 2026-01-19 Chi-Lun Lee , Yu-Syuan Lin , Pik-Yin Lai

The mechanism by which thermodynamics sets the direction of time's arrow has long fascinated scientists. Here, we show that a machine learning algorithm can learn to discern the direction of time's arrow when provided with a system's…

Statistical Mechanics · Physics 2019-09-30 Alireza Seif , Mohammad Hafezi , Christopher Jarzynski

Emergence of one-time-direction macroscopic evolution of a classical system of two mixed gases having different temperatures is derived and explained. The analysis performed at the microscopic level, where the time-symmetric laws of…

Classical Physics · Physics 2016-08-11 Krzysztof Rębilas

Prediction is arguably one of the most basic functions of an intelligent system. In general, the problem of predicting events in the future or between two waypoints is exceedingly difficult. However, most phenomena naturally pass through…

Computer Vision and Pattern Recognition · Computer Science 2018-10-25 Dinesh Jayaraman , Frederik Ebert , Alexei A. Efros , Sergey Levine

We formalize the concept of subtime -- a reversible mode of information interchange within entangled systems -- and show how classical time emerges as an asymptotic limit through decoherence. Building on the photon clock model, in which a…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-13 Paul L. Borrill

We present a method to design driving protocols that achieve fast thermal equilibration of a system of interest using techniques inspired by machine learning training algorithms. For example, consider a Brownian particle manipulated by…

Statistical Mechanics · Physics 2025-06-25 Diego Rengifo , Gabriel Téllez

We have investigated kinematic reversibility in a cold atom system under strongly overdamped conditions. In such systems, inertia is negligible, and for noninteracting rigid particles, inverting the external force causes a perfect reversal…

Atomic Physics · Physics 2026-05-06 Sara Sloman , J. Van Butcher , Chandra Raman