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Entropy and free-energy estimation are key in thermodynamic characterization of simulated systems ranging from spin models through polymers, colloids, protein structure, and drug-design. Current techniques suffer from being model specific,…

Statistical Mechanics · Physics 2019-10-30 Ram Avinery , Micha Kornreich , Roy Beck

Maximum likelihood estimation of energy-based models is a challenging problem due to the intractability of the log-likelihood gradient. In this work, we propose learning both the energy function and an amortized approximate sampling…

Machine Learning · Computer Science 2019-05-29 Rithesh Kumar , Sherjil Ozair , Anirudh Goyal , Aaron Courville , Yoshua Bengio

We study the problem of efficient exploration in order to learn an accurate model of an environment, modeled as a Markov decision process (MDP). Efficient exploration in this problem requires the agent to identify the regions in which…

We propose a method for inferring entropy production (EP) in high-dimensional stochastic systems, including many-body systems and non-Markovian systems with long memory. Standard techniques for estimating EP become intractable in such…

Statistical Mechanics · Physics 2026-02-20 Miguel Aguilera , Sosuke Ito , Artemy Kolchinsky

In this work, a stochastic representation based on a physical transport principle is proposed to account for mesoscale eddy effects on the large-scale oceanic circulation. This stochastic framework arises from a decomposition of the…

Geophysics · Physics 2022-07-26 Long Li , Bruno Deremble , Noé Lahaye , Etienne Mémin

This thesis is interested in the application of statistical physics methods and inference to sparse linear estimation problems. The main tools are the graphical models and approximate message-passing algorithm together with the cavity…

Information Theory · Computer Science 2015-11-06 Jean Barbier

Expand-and-sparsify representations are a class of theoretical models that capture sparse representation phenomena observed in the sensory systems of many animals. At a high level, these representations map an input $x \in \mathbb{R}^d$ to…

Statistics Theory · Mathematics 2026-03-20 Kaushik Sinha , Christopher Tosh

We consider the problem of estimating parameters of stochastic differential equations (SDEs) with discrete-time observations that are either completely or partially observed. The transition density between two observations is generally…

Methodology · Statistics 2015-09-09 Libo Sun , Chihoon Lee , Jennifer A. Hoeting

Entropy, its production, and its change in a dynamical system can be understood from either a fully stochastic dynamic description or from a deterministic dynamics exhibiting chaotic behavior. By taking the former approach based on the…

Mathematical Physics · Physics 2025-08-26 Hong Qian , Zhongwei Shen

In this paper we present a data-driven approach for uncertainty propagation. In particular, we consider stochastic differential equations with parametric uncertainty. Solution of the differential equation is approximated using maximum…

Numerical Analysis · Mathematics 2020-04-07 Vedang M. Deshpande , Raktim Bhattacharya

Entropy estimation plays a crucial role in various fields, such as information theory, statistical data science, and machine learning. However, traditional entropy estimation methods often struggle with complex data distributions.…

Methodology · Statistics 2025-05-16 Luca Scrucca

The field of Neural-Symbolic (NeSy) systems is growing rapidly. Proposed approaches show great promise in achieving symbiotic unions of neural and symbolic methods. However, a unifying framework is needed to organize common NeSy modeling…

Machine Learning · Computer Science 2025-07-22 Charles Dickens , Connor Pryor , Changyu Gao , Alon Albalak , Eriq Augustine , William Wang , Stephen Wright , Lise Getoor

The issue of discrete probability estimation for samples of small size is addressed in this study. The maximum likelihood method often suffers over-fitting when insufficient data is available. Although the Bayesian approach can avoid…

Machine Learning · Computer Science 2012-12-13 Takashi Isozaki

Computer experiments are becoming increasingly important in scientific investigations. In the presence of uncertainty, analysts employ probabilistic sensitivity methods to identify the key-drivers of change in the quantities of interest.…

Methodology · Statistics 2024-07-02 Isadora Antoniano-Villalobos , Emanuele Borgonovo , Xuefei Lu

This paper discusses a methodology for determining a functional representation of a random process from a collection of scattered pointwise samples. The present work specifically focuses onto random quantities lying in a high dimensional…

Numerical Analysis · Mathematics 2014-01-03 Lionel Mathelin

Automated scientific discovery aims to improve scientific understanding through machine learning. A central approach in this field is symbolic regression, which uses genetic programming or sparse regression to learn interpretable…

Neural and Evolutionary Computing · Computer Science 2026-03-11 Sigur de Vries , Sander W. Keemink , Marcel A. J. van Gerven

An effective way to scale up test-time compute of large language models is to sample multiple responses and then select the best one, as in Grok Heavy and Gemini Deep Think. Existing selection methods often rely on external reward models,…

Machine Learning · Computer Science 2026-05-04 Wenshuo Zhao , Qi Zhu , Xingshan Zeng , Fei Mi , Lifeng Shang , Yi R. , Fung

Tactical selection of experiments to estimate an underlying model is an innate task across various fields. Since each experiment has costs associated with it, selecting statistically significant experiments becomes necessary. Classic linear…

Optimization and Control · Mathematics 2021-03-30 Raj K. Velicheti , Amber Srivastava , Srinivasa M. Salapaka

Herding is a deterministic algorithm used to generate data points that can be regarded as random samples satisfying input moment conditions. The algorithm is based on the complex behavior of a high-dimensional dynamical system and is…

Machine Learning · Statistics 2023-05-10 Hiroshi Yamashita , Hideyuki Suzuki , Kazuyuki Aihara

When an expert operates a perilous dynamic system, ideal constraint information is tacitly contained in their demonstrated trajectories and controls. The likelihood of these demonstrations can be computed, given the system dynamics and task…

Systems and Control · Electrical Eng. & Systems 2021-02-26 David L. McPherson , Kaylene C. Stocking , S. Shankar Sastry