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Several density estimation methods have shown to fail to detect out-of-distribution (OOD) samples by assigning higher likelihoods to anomalous data. Energy-based models (EBMs) are flexible, unnormalized density models which seem to be able…

Machine Learning · Computer Science 2021-07-20 Sven Elflein , Bertrand Charpentier , Daniel Zügner , Stephan Günnemann

Much attention has recently been devoted to data-based computing of evolution of physical systems. In such approaches, information about data points from past trajectories in phase space is used to reconstruct the equations of motion and to…

Machine Learning · Computer Science 2026-03-24 Christopher Eldred , François Gay-Balmaz , Vakhtang Putkaradze

Two microscopic models, UrQMD and QGSM, are used to extract the effective equation of state (EOS) of locally equilibrated nuclear matter produced in heavy-ion collisions at energies from 11.6 AGeV to 160 AGeV. Analysis is performed for the…

High Energy Physics - Phenomenology · Physics 2010-01-15 E. Zabrodin , I. C. Arsene , J. Bleibel , M. Bleicher , L. V. Bravina , G. Burau , Amand Faessler , C. Fuchs , M. S. Nilsson , K. Tywoniuk , H. Stoecker

Ordinary differential equations (ODEs) can provide mechanistic models of temporally local changes of processes, where parameters are often informed by external knowledge. While ODEs are popular in systems modeling, they are less established…

Methodology · Statistics 2025-07-10 Maren Hackenberg , Astrid Pechmann , Clemens Kreutz , Janbernd Kirschner , Harald Binder

Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic, and can be systematically improved with training. Highly…

Chemical Physics · Physics 2015-06-16 John C. Snyder , Matthias Rupp , Katja Hansen , Leo Blooston , Klaus-Robert Müller , Kieron Burke

In designing efficient feedback control laws for fluid flow, the modern control theory can serve as a powerful tool if the model can be represented by a linear ordinary differential equation (ODE). However, it is generally difficult to find…

Fluid Dynamics · Physics 2023-11-16 Hiroshi Omichi , Takeru Ishize , Koji Fukagata

This report describes a new equation of state (EOS) for helium. The PANDA code was used to construct separate EOS tables for the solid and fluid phases. The solid and fluid EOS were then assembled into a multiphase EOS table using the PANDA…

Chemical Physics · Physics 2013-06-28 Gerald I. Kerley

Learning models of dynamical systems with external inputs, which may be, for example, nonsmooth or piecewise, is crucial for studying complex phenomena and predicting future state evolution, which is essential for applications such as…

Machine Learning · Computer Science 2025-04-16 Zhaoyi Li , Wenjie Mei , Ke Yu , Yang Bai , Shihua Li

The discovery of novel experimental techniques often lags behind contemporary theoretical understanding. In particular, it can be difficult to establish appropriate measurement protocols without analytic descriptions of the underlying…

Data Analysis, Statistics and Probability · Physics 2023-07-21 Nicholas Hindley , Stephen J. DeVience , Ella Zhang , Leo L. Cheng , Matthew S. Rosen

In this work, a data-driven modeling framework of switched dynamical systems under time-dependent switching is proposed. The learning technique utilized to model system dynamics is Extreme Learning Machine (ELM). First, a method is…

Systems and Control · Electrical Eng. & Systems 2021-01-27 Weiming Xiang

Simulating stochastic differential equations (SDEs) in bounded domains, presents significant computational challenges due to particle exit phenomena, which requires accurate modeling of interior stochastic dynamics and boundary…

Machine Learning · Statistics 2025-07-23 Minglei Yang , Yanfang Liu , Diego del-Castillo-Negrete , Yanzhao Cao , Guannan Zhang

Maximum likelihood (ML) learning for energy-based models (EBMs) is challenging, partly due to non-convergence of Markov chain Monte Carlo.Several variations of ML learning have been proposed, but existing methods all fail to achieve both…

Machine Learning · Statistics 2023-04-24 Xinwei Zhang , Zhiqiang Tan , Zhijian Ou

Machine-learning potentials provide computationally efficient and accurate approximations of the Born-Oppenheimer potential energy surface. This potential determines many materials properties and simulation techniques usually require its…

Materials Science · Physics 2024-01-30 Marcel F. Langer , J. Thorben Frank , Florian Knoop

We numerically show that a deep neural network (DNN) can learn macroscopic thermodynamic laws purely from microscopic data. Using molecular dynamics simulations, we generate the data of snapshot images of gas particles undergoing adiabatic…

Statistical Mechanics · Physics 2025-11-21 Hiroto Kuroyanagi , Tatsuro Yuge

The accurate estimation of free energy differences between two states is a long-standing challenge in molecular simulations. Traditional approaches generally rely on sampling multiple intermediate states to ensure sufficient overlap in…

Statistical Mechanics · Physics 2026-03-17 Maximilian Schebek , Jiajun He , Emil Hoffmann , Yuanqi Du , Frank Noé , Jutta Rogal

Inspired by recent theoretical arguments, physics-informed echo state network (ESN) is discussed on the attempt to train a reservoir model absolutely in physics-informed manner. As the plainest work on such a purpose, an ODE (ordinary…

Machine Learning · Computer Science 2020-11-16 Dong Keun Oh

Natural laws are often described through differential equations yet finding a differential equation that describes the governing law underlying observed data is a challenging and still mostly manual task. In this paper we make a step…

Machine Learning · Computer Science 2022-11-08 Sören Becker , Michal Klein , Alexander Neitz , Giambattista Parascandolo , Niki Kilbertus

The study of the nuclear equation-of-state (EoS) is a one of the primary goals of experimental and theoretical heavy-ion physics. The comparison of recent high statistics data from the STAR Collaboration with transport models provides a…

We study two recently proposed equations of state (EOS) which are obtained from high temperature QCD, and show how they can be adapted to use them for making predictions for relativistic heavy ion collisions. The method involves extracting…

Nuclear Theory · Physics 2014-11-18 Vinod Chandra , Ravindra Kumar , V. Ravishankar

We introduce methods for deriving analytic solutions from differential-algebraic systems of equations (DAEs), as well as methods for deriving governing equations for analytic characterization which is currently limited to very small systems…

General Mathematics · Mathematics 2021-02-05 Samiya A Alkhairy
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