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Maximum likelihood estimation (MLE) of latent variable models is often recast as the minimization of a free energy functional over an extended space of parameters and probability distributions. This perspective was recently combined with…

Machine Learning · Computer Science 2024-06-05 Jen Ning Lim , Juan Kuntz , Samuel Power , Adam M. Johansen

We introduce a novel and powerful method for exploring the properties of the multidimensional free energy surfaces of complex many-body systems by means of a coarse-grained non-Markovian dynamics in the space defined by a few collective…

Statistical Mechanics · Physics 2009-11-07 A. Laio , M. Parrinello

Markov random fields are known to be fully characterized by properties of their information diagrams, or I-diagrams. In particular, for Markov random fields, regions in the I-diagram corresponding to disconnected vertex sets in the graph…

Information Theory · Computer Science 2026-03-25 Leon Lang , Clélia de Mulatier , Rick Quax , Patrick Forré

Learning Markov blanket (MB) structures has proven useful in performing feature selection, learning Bayesian networks (BNs), and discovering causal relationships. We present a formula for efficiently determining the number of MB structures…

Machine Learning · Statistics 2014-07-15 Shyam Visweswaran , Gregory F. Cooper

This thesis investigates the interactions of different degrees of freedom of one joint system within the theory of stochastic thermodynamics. First, a comprehensive introduction to the subjects of stochastic processes, information theory…

Statistical Mechanics · Physics 2020-07-31 Jannik Ehrich

Previously, we presented a new interpretation of quantum mechanics that revealed it is indeed possible to have a local hidden variable that is consistent with Bell's inequality experiments. In that article we suggested that the local hidden…

General Physics · Physics 2021-12-08 Yoko Suzuki , Kevin M. Mertes

We propose a constructive approach to building temporal point processes that incorporate dependence on their history. The dependence is modeled through the conditional density of the duration, i.e., the interval between successive event…

Methodology · Statistics 2025-10-31 Xiaotian Zheng , Athanasios Kottas , Bruno Sansó

Physics and economics are two disciplines that share the common challenge of linking microscopic and macroscopic behaviors. However, while physics is based on collective dynamics, economics is based on individual choices. This conceptual…

Physics and Society · Physics 2011-08-25 Sebastian Grauwin , Dominic Hunt , Eric Bertin , Pablo Jensen

We review a recently developed micellization theory, which is based on a free-energy approach and offers several advantages over the conventional one, based on mass action and rate equations. As all the results are derived from a single…

Soft Condensed Matter · Physics 2016-05-03 Haim Diamant , David Andelman

We study the condensation phenomenon in a zero range process on scale-free networks. We show that the stationary state property depends only on the degree distribution of underlying networks. The model displays a stationary state phase…

Statistical Mechanics · Physics 2007-05-23 Jae Dong Noh

In this volume a theory for models of transport in the presence of a free boundary is developed. Macroscopic laws of transport are described by PDEs. When the system is open, there are several mechanisms to couple the system with the…

Probability · Mathematics 2016-07-28 Gioia Carinci , Anna De Masi , Cristian Giardinà , Errico Presutti

Constraint-based causal discovery algorithms utilize many statistical tests for conditional independence to uncover networks of causal dependencies. These approaches to causal discovery rely on an assumed correspondence between the…

Machine Learning · Computer Science 2025-04-18 Bijan Mazaheri , Jiaqi Zhang , Caroline Uhler

Probabilistic independence can dramatically simplify the task of eliciting, representing, and computing with probabilities in large domains. A key technique in achieving these benefits is the idea of graphical modeling. We survey existing…

Artificial Intelligence · Computer Science 2013-02-21 Fahiem Bacchus , Adam J. Grove

The present paper proposes an adaptive biasing potential for the computation of free energy landscapes. It is motivated by statistical learning arguments and unifies the tasks of biasing the molecular dynamics to escape free energy wells…

Mathematical Physics · Physics 2018-03-05 I. Bilionis , P. S. Koutsourelakis

We derive a coarse grained, free-energy functional which describes droplet configurations arising on nucleation of a product crystal within a parent. This involves a new `slow' vacancy mode that lives at the parent-product interface. A…

Condensed Matter · Physics 2009-10-28 Madan Rao , Surajit Sengupta

Amorphous materials exhibit structural heterogeneities that relax only on long timescales. Using machine learning techniques, we construct a Markov state model (MSM) for model glass formers that coarse-grains the dynamics into a…

Soft Condensed Matter · Physics 2022-08-31 Siavash Soltani , Chad W. Sinclair , Joerg Rottler

We prove that the lowest free energy of a classical interacting system at temperature $T$ with a prescribed density profile $\rho(x)$ can be approximated by the local free energy $\int f_T(\rho(x))dx$, provided that $\rho$ varies slowly…

Mathematical Physics · Physics 2024-08-28 Michal Jex , Mathieu Lewin , Peter Madsen

In a previous paper (Ref. [1]) the presence of dark energy in our universe was explained as the fingerprint of a comprehensive, much older and expanding multiverse with positive spatial curvature, whose space-time is spanned by this energy,…

General Relativity and Quantum Cosmology · Physics 2018-09-06 Rebhan Eckhard

We formulate a new theory for how caging constraints in glass-forming liquids at a surface or interface are modified and then spatially transferred, in a layer-by-layer bootstrapped manner, into the film interior in the context of the…

Soft Condensed Matter · Physics 2019-02-20 Anh D. Phan , Kenneth S. Schweizer

Many high-dimensional statistical inference problems are believed to possess inherent computational hardness. Various frameworks have been proposed to give rigorous evidence for such hardness, including lower bounds against restricted…