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Stochastic kinetic models describe systems across biology, chemistry, and physics where discrete events and small populations render deterministic approximations inadequate. Parameter inference and inverse design in these systems require…

Computational Physics · Physics 2026-03-06 Francesco Mottes , Qian-Ze Zhu , Michael P. Brenner

This study presents a novel generative modeling approach to rainfall-runoff modeling, focusing on the synthesis of realistic daily catchment runoff time series in response to catchment-averaged climate forcing. Unlike traditional…

Geophysics · Physics 2024-09-11 Yang Yang , Ting Fong May Chui

Reaction prediction is a fundamental problem in computational chemistry. Existing approaches typically generate a chemical reaction by sampling tokens or graph edits sequentially, conditioning on previously generated outputs. These…

Chemical Physics · Physics 2021-02-08 Hangrui Bi , Hengyi Wang , Chence Shi , Jian Tang

We consider a generic class of stochastic particle-based models whose state at an instant in time is described by a set of continuous degrees of freedom (e.g. positions), and the length of this set changes stochastically in time due to…

Statistical Mechanics · Physics 2025-09-03 Samuel Cameron , Elsen Tjhung

Recent empirical evidence shows that LLM representations encode human-interpretable concepts. Nevertheless, the mechanisms by which these representations emerge remain largely unexplored. To shed further light on this, we introduce a novel…

Machine Learning · Computer Science 2026-03-03 Yuhang Liu , Dong Gong , Yichao Cai , Erdun Gao , Zhen Zhang , Biwei Huang , Mingming Gong , Anton van den Hengel , Javen Qinfeng Shi

These lecture notes introduce the statistical analysis of continuous-time generative models built from Markov dynamics. We begin with the stochastic-calculus foundations of score-based diffusion models, including time reversal, score…

Statistics Theory · Mathematics 2026-04-27 Eddie Aamari , Arthur Stéphanovitch

We show that models of opinion formation and dissemination in a community of individuals can be framed within stochastic thermodynamics from which we can build a nonequilibrium thermodynamics of opinion dynamics. This is accomplished by…

Statistical Mechanics · Physics 2023-07-12 Tânia Tomé , Carlos E. Fiore , Mário J. de Oliveira

Semantic word embeddings represent the meaning of a word via a vector, and are created by diverse methods. Many use nonlinear operations on co-occurrence statistics, and have hand-tuned hyperparameters and reweighting methods. This paper…

Machine Learning · Computer Science 2019-06-21 Sanjeev Arora , Yuanzhi Li , Yingyu Liang , Tengyu Ma , Andrej Risteski

We discuss fundamental features of the local expression for the entropy production rate of the nonequilibrium quantum dynamics of open systems and its relations to memory effects and the spectrum of the generator of the dynamics. Defining…

Quantum Physics · Physics 2026-03-03 Irene Ada Picatoste , Alessandra Colla , Heinz-Peter Breuer

We develop the stochastic approach to thermodynamics based on the stochastic dynamics, which can be discrete (master equation) continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of…

Statistical Mechanics · Physics 2015-06-11 Tânia Tomé , Mário J. de Oliveira

This paper motivates the use of random-bridges -- stochastic processes conditioned to take target distributions at fixed timepoints -- in the realm of generative modelling. Herein, random-bridges can act as stochastic transports between two…

Machine Learning · Computer Science 2026-04-07 Stefano Goria , Levent A. Mengütürk , Murat C. Mengütürk , Berkan Sesen

Stochastic entropy production, which quantifies the difference between the probabilities of trajectories of a stochastic dynamics and its time reversals, has a central role in nonequilibrium thermodynamics. In the theory of probability, the…

Statistical Mechanics · Physics 2020-03-04 Ying-Jen Yang , Hong Qian

We study finite state random dynamical systems (RDS) and their induced Markov chains (MC) as stochastic models for complex dynamics. The linear representation of deterministic maps in RDS are matrix-valued random variables whose…

Dynamical Systems · Mathematics 2020-03-23 Felix X. -F. Ye , Hong Qian

By sampling from the latent space of an autoencoder and decoding the latent space samples to the original data space, any autoencoder can simply be turned into a generative model. For this to work, it is necessary to model the autoencoder's…

Machine Learning · Statistics 2023-09-19 Maximilian Coblenz , Oliver Grothe , Fabian Kächele

We show that macroscopic irreversible thermodynamics for viscous fluids can be derived from exact information-theoretic thermodynamic identities valid at the microscale. Entropy production, in particular, is a measure of the loss of…

Statistical Mechanics · Physics 2025-02-17 Danilo Forastiere , Francesco Avanzini , Massimiliano Esposito

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely…

Computation and Language · Computer Science 2023-12-18 Jie Ren , Yao Zhao , Tu Vu , Peter J. Liu , Balaji Lakshminarayanan

Learning to sample from complex unnormalized distributions is a fundamental challenge in computational physics and machine learning. While score-based and variational methods have achieved success in continuous domains, extending them to…

Machine Learning · Statistics 2026-03-11 Lei Li , Zhen Wang , Lishuo Zhang

Autoregressive neural language models (LMs) generate a probability distribution over tokens at each time step given a prompt. In this work, we attempt to systematically understand the probability distributions that LMs can produce, showing…

Computation and Language · Computer Science 2025-09-23 Haojin Wang , Zining Zhu , Freda Shi

For a Markovian dynamics on discrete states, the logarithmic ratio of waiting-time distributions between two successive, instantaneous transitions in forward and backward direction is a measure of time-irreversibility. It thus serves as an…

Statistical Mechanics · Physics 2024-06-13 Ellen Meyberg , Julius Degünther , Udo Seifert

This Letter presents a neural estimator for entropy production, or NEEP, that estimates entropy production (EP) from trajectories of relevant variables without detailed information on the system dynamics. For steady state, we rigorously…

Statistical Mechanics · Physics 2020-10-06 Dong-Kyum Kim , Youngkyoung Bae , Sangyun Lee , Hawoong Jeong