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We propose excess Gibbs free energy graph neural networks (GE-GNNs) for predicting composition-dependent activity coefficients of binary mixtures. The GE-GNN architecture ensures thermodynamic consistency by predicting the molar excess…

Disordered Systems and Neural Networks · Physics 2024-11-05 Jan G. Rittig , Alexander Mitsos

Kelly (2007, hereafter K07) described an efficient algorithm, using Gibbs sampling, for performing linear regression in the fairly general case where non-zero measurement errors exist for both the covariates and response variables, where…

Instrumentation and Methods for Astrophysics · Physics 2016-02-17 Adam B. Mantz

State-space systems encompass a broad class of algorithms used for modeling and forecasting time series. For such systems to be effective, two objectives must be met: (i) accurate point forecasts of the time series must be produced, and…

Chaotic Dynamics · Physics 2026-05-12 James Murray Louw , Juan-Pablo Ortega

Distributed quantum computing has been well-known for many years as a system composed of a number of small-capacity quantum circuits. Limitations in the capacity of monolithic quantum computing systems can be overcome by using distributed…

Pretrained diffusion models provide powerful learned priors, but in scientific sampling the target distribution often depends on physical context that is not fully represented by one generative model. We introduce Generative Gibbs for…

Machine Learning · Computer Science 2026-05-12 Weizhou Wang , Jonathan Weare , Aaron R. Dinner

We develop a thermodynamic framework for modeling innovation adoption and abandonment dynamics using statistical mechanics. Starting from a mathematical model for an adoption distribution that fits empirically obtained date, we construct a…

Physics and Society · Physics 2026-04-21 Guilherme S. Y. Giardini , Carlo R. daCunha

Spin-glasses are Gibbs distributions that have been studied in CS for many decades. Recently, they have gained renewed attention as they emerge naturally in learning, inference, optimisation etc. We consider the Edwards-Anderson (EA)…

Discrete Mathematics · Computer Science 2024-03-15 Charilaos Efthymiou , Kostas Zampetakis

The increasing complexity of fog computing environments calls for efficient resource optimization techniques. In this paper, we propose and evaluate three distributed designs of a genetic algorithm (GA) for resource optimization in fog…

Neural and Evolutionary Computing · Computer Science 2024-06-17 Carlos Guerrero , Isaac Lera , Carlos Juiz

The appeal of thermodynamics to problems outside physics is undeniable, as is the growing recognition of its apparent universality, yet in the absence of a rigorous formalism divorced from the peculiarities of molecular systems all attempts…

Statistical Mechanics · Physics 2020-07-06 Themis Matsoukas

Hyper-parameters play a major role in the learning and inference process of latent Dirichlet allocation (LDA). In order to begin the LDA latent variables learning process, these hyper-parameters values need to be pre-determined. We propose…

Machine Learning · Computer Science 2016-03-01 Osama Khalifa , David Wolfe Corne , Mike Chantler

Given a probability distribution $\mu$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of the corresponding conditional probability distributions on the level-sets of a collective variable…

Machine Learning · Statistics 2026-03-30 Fatima-Zahrae Akhyar , Wei Zhang , Gabriel Stoltz , Christof Schütte

Many multiagent dynamics, including various collective dynamics occurring on networks, can be modeled as a stochastic process in which the agents in the system change their state over time in interaction with each other. The Gillespie…

Physics and Society · Physics 2022-12-19 Naoki Masuda , Christian L. Vestergaard

We describe a novel algorithm that learns a Hamiltonian from local expectations of its Gibbs state using the free energy variational principle. The algorithm avoids the need to compute the free energy directly, instead using efficient…

Quantum Physics · Physics 2024-09-25 Adam Artymowicz

In this paper we introduce a new method to add a parameter to a family of distributions. The additional parameter is completely studied and a full description of its behaviour in the distribution is given. We obtain several mathematical…

Methodology · Statistics 2010-03-10 Wagner Barreto-Souza , Alexandre B. Simas

Learning is a fundamental characteristic of living systems, enabling them to comprehend their environments and make informed decisions. These decision-making processes are inherently influenced by available information about their…

Disordered Systems and Neural Networks · Physics 2025-04-21 Arnab Barua , Haralampos Hatzikirou , Sumiyoshi Abe

Robot-control designers have begun to exploit the properties of the human immune system in order to produce dynamic systems that can adapt to complex, varying, real-world tasks. Jernes idiotypic-network theory has proved the most popular…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Amanda Whitbrook , Uwe Aickelin , Jonathan Garibaldi

In this paper we present a deep learning method to predict the temporal evolution of dissipative dynamic systems. We propose using both geometric and thermodynamic inductive biases to improve accuracy and generalization of the resulting…

Machine Learning · Computer Science 2022-06-07 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

Evolutionary algorithms rely very heavily on randomized behavior. Execution speed, therefore, depends strongly on how we implement randomness, such as our choice of pseudorandom number generator, or the algorithms used to map pseudorandom…

Neural and Evolutionary Computing · Computer Science 2024-12-04 Vincent A. Cicirello

Stochastic differential equations provide a powerful tool for modelling dynamic phenomena affected by random noise. In case of repeated observations of time series for several experimental units, it is often the case that some of the…

Methodology · Statistics 2024-09-06 Fernando Baltazar-Larios , Mogens Bladt , Michael Sørensen

The dual tasks of quantum Hamiltonian learning and quantum Gibbs sampling are relevant to many important problems in physics and chemistry. In the low temperature regime, algorithms for these tasks often suffer from intractabilities, for…

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