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200 papers

A theoretical approach to describing transport of an entire ensemble of clusters with different sizes as a single species in gas has been developed. The major assumption is an existence of local partial chemical equilibrium between the…

Chemical Physics · Physics 2026-05-01 Eugene V. Stepanov , Alexander F. Gutsol

We consider numerical methods for thermodynamic sampling, i.e. computing sequences of points distributed according to the Gibbs-Boltzmann distribution, using Langevin dynamics and overdamped Langevin dynamics (Brownian dynamics). A wide…

Statistical Mechanics · Physics 2015-01-13 Benedict Leimkuhler , Charles Matthews , Gabriel Stoltz

The generative paradigm has become increasingly important in machine learning and deep learning models. Among popular generative models are normalizing flows, which enable exact likelihood estimation by transforming a base distribution…

Machine Learning · Computer Science 2025-03-18 Naoufal El Bekri , Lucas Drumetz , Franck Vermet

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

A century ago, the foundations of equilibrium statistical mechanics were laid. For a system in equilibrium with a thermal bath, much is understood through the Boltzmann factor, exp{-H[C]/kT}, for the probability of finding the system in any…

Statistical Mechanics · Physics 2009-10-31 R. K. P. Zia , L. B. Shaw , B. Schmittmann , R. J. Astalos

Understanding the rich spatial and temporal structures in nonequilibrium thermal environments is a major subject of statistical mechanics. Because universal laws, based on an ensemble of systems, are mute on an individual system, exploring…

Statistical Mechanics · Physics 2019-04-19 Liyi Zhao , Ping Fang , Chushun Tian

Thermal compositional multiphase flow in porous media with phase transitions involves complex nonlinear interactions among flow, transport, and phase equilibrium. This paper presents a persistent-variable formulation for thermal…

Computational Physics · Physics 2025-12-05 Veljko Lipovac , Omar Duran , Eirik Keilegavlen , Inga Berre

Energy-based models (EBMs) are versatile density estimation models that directly parameterize an unnormalized log density. Although very flexible, EBMs lack a specified normalization constant of the model, making the likelihood of the model…

Machine Learning · Computer Science 2024-02-20 Louis Grenioux , Éric Moulines , Marylou Gabrié

The Stochastic Heat Flow (SHF) emerges as the scaling limit of directed polymers in random environments and the noise-mollified Stochastic Heat Equation (SHE), specifically at the critical dimension of two and near the critical temperature.…

Probability · Mathematics 2026-03-17 Li-Cheng Tsai

Stochastic thermodynamics is a framework for describing non-equilibrium processes at the level of fluctuating trajectories, where the state of a system evolves as a stochastic time series, allowing thermodynamic quantities such as work,…

Thermodynamic properties can be in principle derived from the partition function, which, in many-atom systems, is hard to evaluate as it involves a sum on the accessible microscopic states. Recently, the partition function has been computed…

We apply the stochastic thermodynamics formalism to describe the dynamics of systems of complex Langevin and Fokker-Planck equations. We provide in particular a simple and general recipe to calculate thermodynamical currents, dissipated and…

Statistical Mechanics · Physics 2019-01-30 Simone Borlenghi , Anna Delin

Based on the view that thermal equilibrium should be characterized through macroscopic observations, we develop a general theory about typicality of thermal equilibrium and the approach to thermal equilibrium in macroscopic quantum systems.…

Statistical Mechanics · Physics 2018-08-02 Hal Tasaki

Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood generative models with importance sampling, but practical…

Machine Learning · Computer Science 2026-05-29 Weilong Chen , Bojun Zhao , Jan Eckwert , Julija Zavadlav

Generative AI (GenAI) has revolutionized data-driven modeling by enabling the synthesis of high-dimensional data across various applications, including image generation, language modeling, biomedical signal processing, and anomaly…

Machine Learning · Computer Science 2025-09-09 Yao Xie , Xiuyuan Cheng

An exact stochastic model for the thermalisation of quantum states is proposed. The model has various physically appealing properties. The dynamics are characterised by an underlying Schrodinger evolution, together with a nonlinear term…

Quantum Physics · Physics 2009-10-30 D. C. Brody , L. P. Hughston

Steady simple shear flow of a low-density binary mixture of inelastic smooth hard spheres is studied in the context of the Boltzmann equation. This equation is solved by using two different and complementary approaches: a Sonine polynomial…

Soft Condensed Matter · Physics 2009-11-07 J. M. Montanero , V. Garzo

Recently, progress has been made in the theory of turbulence, which provides a framework on how a deterministic process changes to a stochastic one owing to the change in thermodynamic states. It is well known that, in the framework of…

Chaotic Dynamics · Physics 2025-10-27 Liteng Yang , Yuliang Liu , Jing Liu , Hongxuan Li , Wei Chen

Generating samples from complex and high-dimensional distributions is ubiquitous in various scientific fields of statistical physics, Bayesian inference, scientific computing and machine learning. Very recently, Huang et al. (IEEE Trans.…

Numerical Analysis · Mathematics 2026-01-01 Xiaojie Wang , Xiaoyan Zhang

Slow flows of a slightly rarefied gas under high thermal stresses are considered. The correct fluid-dynamic description of this class of flows is based on the Kogan--Galkin--Friedlander equations, containing some non-Navier--Stokes terms in…

Computational Physics · Physics 2017-09-13 Oleg Rogozin