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We introduce ImitationFlow, a novel Deep generative model that allows learning complex globally stable, stochastic, nonlinear dynamics. Our approach extends the Normalizing Flows framework to learn stable Stochastic Differential Equations.…

Machine Learning · Computer Science 2020-10-27 Julen Urain , Michelle Ginesi , Davide Tateo , Jan Peters

The recent introduction of Machine Learning techniques, especially Normalizing Flows, for the sampling of lattice gauge theories has shed some hope on improving the sampling efficiency of the traditional Hybrid Monte Carlo (HMC) algorithm.…

High Energy Physics - Lattice · Physics 2023-09-21 David Albandea , Luigi Del Debbio , Pilar Hernández , Richard Kenway , Joe Marsh Rossney , Alberto Ramos

Simulating and predicting dynamics of quantum many-body systems is extremely challenging, even for state-of-the-art computational methods, due to the spread of entanglement across the system. However, in the long-wavelength limit, quantum…

The rapid growth of research in exploiting machine learning to predict chaotic systems has revived a recent interest in Hamiltonian Neural Networks (HNNs) with physical constraints defined by the Hamilton's equations of motion, which…

Machine Learning · Computer Science 2021-06-02 Chen-Di Han , Bryan Glaz , Mulugeta Haile , Ying-Cheng Lai

Hamiltonian mechanics is an effective tool to represent many physical processes with concise yet well-generalized mathematical expressions. A well-modeled Hamiltonian makes it easy for researchers to analyze and forecast many related…

Machine Learning · Computer Science 2021-02-24 Seungjun Lee , Haesang Yang , Woojae Seong

We introduce a methodology for seeking conservation laws within a Hamiltonian dynamical system, which we term ``neural deflation''. Inspired by deflation methods for steady states of dynamical systems, we propose to {iteratively} train a…

Pattern Formation and Solitons · Physics 2023-03-29 Wei Zhu , Hong-Kun Zhang , P. G. Kevrekidis

We present a method for learning generalized Hamiltonian decompositions of ordinary differential equations given a set of noisy time series measurements. Our method simultaneously learns a continuous time model and a scalar energy function…

Machine Learning · Computer Science 2021-04-16 Kevin L. Course , Trefor W. Evans , Prasanth B. Nair

Lattice Hamiltonian systems underpin models across condensed matter, nonlinear optics, and biophysics, yet learning their dynamics from data is obstructed by two unknowns: the interaction topology and whether node dynamics are homogeneous.…

Machine Learning · Computer Science 2026-04-28 Ru Geng , Panayotis Kevrekidis , Yixian Gao , Hong-Kun Zhang , Jian Zu

We propose Symplectic Recurrent Neural Networks (SRNNs) as learning algorithms that capture the dynamics of physical systems from observed trajectories. An SRNN models the Hamiltonian function of the system by a neural network and…

Machine Learning · Computer Science 2020-04-28 Zhengdao Chen , Jianyu Zhang , Martin Arjovsky , Léon Bottou

This paper introduces equivariant hamiltonian flows, a method for learning expressive densities that are invariant with respect to a known Lie-algebra of local symmetry transformations while providing an equivariant representation of the…

Machine Learning · Statistics 2019-10-01 Danilo Jimenez Rezende , Sébastien Racanière , Irina Higgins , Peter Toth

In recent years, the Hamiltonian Monte Carlo (HMC) algorithm has been found to work more efficiently compared to other popular Markov Chain Monte Carlo (MCMC) methods (such as random walk Metropolis-Hastings) in generating samples from a…

Computation · Statistics 2014-02-18 Andrew L. Beam , Sujit K. Ghosh , Jon Doyle

Hamiltonian dynamics can be used to produce distant proposals for the Metropolis algorithm, thereby avoiding the slow exploration of the state space that results from the diffusive behaviour of simple random-walk proposals. Though…

Computation · Statistics 2021-06-30 Radford M. Neal

Modified Hamiltonians are used in the field of geometric numerical integration to show that symplectic schemes for Hamiltonian systems are accurate over long times. For nonlinear systems the series defining the modified Hamiltonian usually…

Numerical Analysis · Mathematics 2018-11-14 Shami A Alsallami , Jitse Niesen , Frank W Nijhoff

We detail how incorporating physics into neural network design can significantly improve the learning and forecasting of dynamical systems, even nonlinear systems of many dimensions. A map building perspective elucidates the superiority of…

Neural and Evolutionary Computing · Computer Science 2020-08-11 Scott T. Miller , John F. Lindner , Anshul Choudhary , Sudeshna Sinha , William L. Ditto

We introduce a Hamiltonian Monte Carlo (HMC) methodology based on a randomized selection of integration times, referred to as eHMC, where "e" stands for empirical. The approach relies on an offline calibration phase that leverages…

Computation · Statistics 2026-05-25 Changye Wu , Pierre Pudlo , Christian P. Robert , Julien Stoehr

The objective of this paper is to design novel multi-layer neural network architectures for multiscale simulations of flows taking into account the observed data and physical modeling concepts. Our approaches use deep learning concepts…

Numerical Analysis · Mathematics 2018-06-14 Yating Wang , Siu Wun Cheung , Eric T. Chung , Yalchin Efendiev , Min Wang

The equations of classical mechanics can be used to model the time evolution of countless physical systems, from the astrophysical to the atomic scale. Accurate numerical integration requires small time steps, which limits the computational…

Chemical Physics · Physics 2026-03-09 Filippo Bigi , Johannes Spies , Michele Ceriotti

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

We apply the method of flow equations to describe quantum systems subject to a time-periodic drive with a time-dependent envelope. The driven Hamiltonian is expressed in terms of its constituent Fourier harmonics with amplitudes that may…

Quantum Physics · Physics 2022-01-12 Viktor Novičenko , Giedrius Žlabys , Egidijus Anisimovas

Hamiltonian Monte Carlo (HMC) samples efficiently from high-dimensional posterior distributions with proposed parameter draws obtained by iterating on a discretized version of the Hamiltonian dynamics. The iterations make HMC…

Computation · Statistics 2019-05-03 Khue-Dung Dang , Matias Quiroz , Robert Kohn , Minh-Ngoc Tran , Mattias Villani
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