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The solution of problems in physics is often facilitated by a change of variables. In this work we present neural transformations to learn symmetries of Hamiltonian mechanical systems. Maintaining the Hamiltonian structure requires novel…

Computational Physics · Physics 2019-06-12 Roberto Bondesan , Austen Lamacraft

In this paper, we develop a neural network-based approach for time-series prediction in unknown Hamiltonian dynamical systems. Our approach leverages a surrogate model and learns the system dynamics using generalized coordinates (positions)…

Machine Learning · Computer Science 2025-02-03 Taehyeun Kim , Tae-Geun Kim , Anouck Girard , Ilya Kolmanovsky

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

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

By incorporating physical consistency as inductive bias, deep neural networks display increased generalization capabilities and data efficiency in learning nonlinear dynamic models. However, the complexity of these models generally…

Machine Learning · Computer Science 2025-03-03 Katharina Friedl , Noémie Jaquier , Jens Lundell , Tamim Asfour , Danica Kragic

Modular neural networks outperform nonmodular neural networks on tasks ranging from visual question answering to robotics. These performance improvements are thought to be due to modular networks' superior ability to model the compositional…

Machine Learning · Computer Science 2025-03-12 Akhilan Boopathy , Sunshine Jiang , William Yue , Jaedong Hwang , Abhiram Iyer , Ila Fiete

Effective inclusion of physics-based knowledge into deep neural network models of dynamical systems can greatly improve data efficiency and generalization. Such a-priori knowledge might arise from physical principles (e.g., conservation…

Machine Learning · Computer Science 2022-12-13 Franck Djeumou , Cyrus Neary , Eric Goubault , Sylvie Putot , Ufuk Topcu

Understanding the learning dynamics of neural networks is one of the key issues for the improvement of optimization algorithms as well as for the theoretical comprehension of why deep neural nets work so well today. In this paper, we…

Machine Learning · Statistics 2021-03-18 Zhenyu Liao , Romain Couillet

By embedding physical intuition, network architectures enforce fundamental properties, such as energy conservation laws, leading to plausible predictions. Yet, scaling these models to intrinsically high-dimensional systems remains a…

Machine Learning · Computer Science 2026-05-14 Katharina Friedl , Noémie Jaquier , Alyx Liao , Danica Kragic

Reasoning about the physical world requires models that are endowed with the right inductive biases to learn the underlying dynamics. Recent works improve generalization for predicting trajectories by learning the Hamiltonian or Lagrangian…

Machine Learning · Computer Science 2020-10-27 Marc Finzi , Ke Alexander Wang , Andrew Gordon Wilson

Deep learning models are yielding increasingly better performances thanks to multiple factors. To be successful, model may have large number of parameters or complex architectures and be trained on large dataset. This leads to large…

Machine Learning · Computer Science 2022-12-20 Jean-Roch Vlimant , Junqi Yin

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

Statistical learning in high-dimensional spaces is challenging without a strong underlying data structure. Recent advances with foundational models suggest that text and image data contain such hidden structures, which help mitigate the…

Machine Learning · Statistics 2025-02-04 Charles Arnal , Clement Berenfeld , Simon Rosenberg , Vivien Cabannes

Machine learning methods are widely used in the natural sciences to model and predict physical systems from observation data. Yet, they are often used as poorly understood "black boxes," disregarding existing mathematical structure and…

Machine Learning · Computer Science 2023-10-24 Marco David , Florian Méhats

We explore unique considerations involved in fitting ML models to data with very high precision, as is often required for science applications. We empirically compare various function approximation methods and study how they scale with…

Machine Learning · Computer Science 2023-02-01 Eric J. Michaud , Ziming Liu , Max Tegmark

Recurrent neural networks (RNNs) have gained a great deal of attention in solving sequential learning problems. The learning of long-term dependencies, however, remains challenging due to the problem of a vanishing or exploding hidden…

Machine Learning · Computer Science 2020-03-17 Konstantin Rusch , John W. Pearson , Konstantinos C. Zygalakis

Over the past few years, deep learning has risen to the foreground as a topic of massive interest, mainly as a result of successes obtained in solving large-scale image processing tasks. There are multiple challenging mathematical problems…

The success of the current wave of artificial intelligence can be partly attributed to deep neural networks, which have proven to be very effective in learning complex patterns from large datasets with minimal human intervention. However,…

Machine Learning · Computer Science 2022-06-01 Haakon Robinson , Suraj Pawar , Adil Rasheed , Omer San

The beauty of physics is that there is usually a conserved quantity in an always-changing system, known as the constant of motion. Finding the constant of motion is important in understanding the dynamics of the system, but typically…

Machine Learning · Computer Science 2022-10-05 Muhammad Firmansyah Kasim , Yi Heng Lim

Hamiltonian systems with multiple timescales arise in molecular dynamics, classical mechanics, and theoretical physics. Long-time numerical integration of such systems requires resolving fast dynamics with very small time steps, which…

Numerical Analysis · Mathematics 2025-10-30 Rui Fang , Richard Tsai