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Simulating the long-time evolution of Hamiltonian systems is limited by the small timesteps required for stable numerical integration. To overcome this constraint, we introduce a framework to learn Hamiltonian Flow Maps by predicting the…

The Hamiltonian formalism plays a central role in classical and quantum physics. Hamiltonians are the main tool for modelling the continuous time evolution of systems with conserved quantities, and they come equipped with many useful…

Machine Learning · Computer Science 2020-02-17 Peter Toth , Danilo Jimenez Rezende , Andrew Jaegle , Sébastien Racanière , Aleksandar Botev , Irina Higgins

This work focuses on learning non-canonical Hamiltonian dynamics from data, where long-term predictions require the preservation of structure both in the learned model and in numerical schemes. Previous research focused on either facet,…

Machine Learning · Computer Science 2025-10-03 Clémentine Courtès , Emmanuel Franck , Michael Kraus , Laurent Navoret , Léopold Trémant

Hamiltonian Monte Carlo is a widely used algorithm for sampling from posterior distributions of complex Bayesian models. It can efficiently explore high-dimensional parameter spaces guided by simulated Hamiltonian flows. However, the…

Computation · Statistics 2019-04-29 Lingge Li , Andrew Holbrook , Babak Shahbaba , Pierre Baldi

Hamilton's equations are fundamental for modeling complex physical systems, where preserving key properties such as energy and momentum is crucial for reliable long-term simulations. Geometric integrators are widely used for this purpose,…

Machine Learning · Computer Science 2026-03-17 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

This paper proposes Hamiltonian Learning, a novel unified framework for learning with neural networks "over time", i.e., from a possibly infinite stream of data, in an online manner, without having access to future information. Existing…

Machine Learning · Computer Science 2024-09-19 Stefano Melacci , Alessandro Betti , Michele Casoni , Tommaso Guidi , Matteo Tiezzi , Marco Gori

The past few years have witnessed an increased interest in learning Hamiltonian dynamics in deep learning frameworks. As an inductive bias based on physical laws, Hamiltonian dynamics endow neural networks with accurate long-term…

Machine Learning · Computer Science 2022-03-02 Zhijie Chen , Mingquan Feng , Junchi Yan , Hongyuan Zha

Hamilton's equations of motion form a fundamental framework in various branches of physics, including astronomy, quantum mechanics, particle physics, and climate science. Classical numerical solvers are typically employed to compute the…

Machine Learning · Computer Science 2024-10-25 Priscilla Canizares , Davide Murari , Carola-Bibiane Schönlieb , Ferdia Sherry , Zakhar Shumaylov

We generalize the Hamiltonian Monte Carlo algorithm with a stack of neural network layers and evaluate its ability to sample from different topologies in a two dimensional lattice gauge theory. We demonstrate that our model is able to…

High Energy Physics - Lattice · Physics 2021-05-10 Sam Foreman , Xiao-Yong Jin , James C. Osborn

Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

While Hamiltonian mechanics provides a powerful inductive bias for neural networks modeling dynamical systems, Hamiltonian Neural Networks and their variants often fail to capture complex temporal dynamics spanning multiple timescales. This…

Machine Learning · Computer Science 2026-03-17 Yaojun Li , Yulong Yang , Christine Allen-Blanchette

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine…

Computational Physics · Physics 2022-07-01 Marios Mattheakis , David Sondak , Akshunna S. Dogra , Pavlos Protopapas

Reconstructing the KAM dynamics diagram of Hamiltonian system from the time series of a limited number of parameters is an outstanding question in nonlinear science, especially when the Hamiltonian governing the system dynamics are unknown.…

Signal Processing · Electrical Eng. & Systems 2021-08-11 Han Zhang , Huawei Fan , Liang Wang , Xingang Wang

Hamiltonian dynamics describe a wide range of physical systems. As such, data-driven simulations of Hamiltonian systems are important for many scientific and engineering problems. In this work, we propose kernel-based methods for…

Numerical Analysis · Mathematics 2025-09-23 Yasamin Jalalian , Mostafa Samir , Boumediene Hamzi , Peyman Tavallali , Houman Owhadi

Modeling of conservative systems with neural networks is an area of active research. A popular approach is to use Hamiltonian neural networks (HNNs) which rely on the assumptions that a conservative system is described with Hamilton's…

Artificial Intelligence · Computer Science 2024-07-18 Katsiaryna Haitsiukevich , Alexander Ilin

Complex systems often show macroscopic coherent behavior due to the interactions of microscopic agents like molecules, cells, or individuals in a population with their environment. However, simulating such systems poses several…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-11 Asif Hamid , Danish Rafiq , Shahkar Ahmad Nahvi , Mohammad Abid Bazaz

Flow models are a cornerstone of modern machine learning. They are generative models that progressively transform probability distributions according to learned dynamics. Specifically, they learn a continuous-time Markov process that…

Quantum Physics · Physics 2025-10-10 David Layden , Ryan Sweke , Vojtěch Havlíček , Anirban Chowdhury , Kirill Neklyudov

Hamiltonian systems are differential equations which describe systems in classical mechanics, plasma physics, and sampling problems. They exhibit many structural properties, such as a lack of attractors and the presence of conservation…

Numerical Analysis · Mathematics 2022-01-14 Christian Offen , Sina Ober-Blöbaum

Learning quantum Hamiltonians with high precision is important for quantum physics and quantum information science. We propose a multi-stage neural network framework that significantly enhances Hamiltonian learning precision through…

Quantum Physics · Physics 2025-03-11 Zhengjie Kang , Hao Li , Shuo Wang , Jiaojiao Li , Yuanjie Zhang , Zhihuang Luo

Multiscale is a hallmark feature of complex nonlinear systems. While the simulation using the classical numerical methods is restricted by the local \textit{Taylor} series constraints, the multiscale techniques are often limited by finding…

Dynamical Systems · Mathematics 2024-05-07 Asif Hamid , Danish Rafiq , Shahkar Ahmad Nahvi , Mohammad Abid Bazaz
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