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Even though neural networks enjoy widespread use, they still struggle to learn the basic laws of physics. How might we endow them with better inductive biases? In this paper, we draw inspiration from Hamiltonian mechanics to train models…

Neural and Evolutionary Computing · Computer Science 2019-09-06 Sam Greydanus , Misko Dzamba , Jason Yosinski

Symmetries impose structure on the Hilbert space of a quantum mechanical model. The mathematical units of this structure are the irreducible representations of symmetry groups and I consider how they function as conceptual units of…

Quantum Physics · Physics 2018-01-29 N. L. Harshman

Evolutionary partial differential equations play a crucial role in many areas of science and engineering. Spatial discretization of these equations leads to a system of ordinary differential equations which can then be solved by numerical…

Numerical Analysis · Mathematics 2024-11-22 F. K. J. Niggl

We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy,…

Machine Learning · Computer Science 2023-03-28 Quercus Hernández , Alberto Badías , Francisco Chinesta , Elías Cueto

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

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

The fundamental laws of physics are intrinsically geometric, dictating the evolution of systems through principles of symmetry and conservation. While modern machine learning offers powerful tools for modeling complex dynamics from data,…

Machine Learning · Computer Science 2025-07-22 Amine Mohamed Aboussalah , Abdessalam Ed-dib

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…

Physical theories grounded in mathematical symmetries are an essential component of our understanding of a wide range of properties of the universe. Similarly, in the domain of machine learning, an awareness of symmetries such as rotation…

In this paper we show how the well-know local symmetries of Lagrangeans systems, and in particular the diffeomorphism invariance, emerge in the Hamiltonian formulation. We show that only the constraints which are linear in the momenta…

High Energy Physics - Theory · Physics 2010-11-01 V. Mukhanov , A. Wipf

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

Learning workable representations of dynamical systems is becoming an increasingly important problem in a number of application areas. By leveraging recent work connecting deep neural networks to systems of differential equations, we…

Machine Learning · Statistics 2020-03-03 Steindor Saemundsson , Alexander Terenin , Katja Hofmann , Marc Peter Deisenroth

Predicting the behaviors of Hamiltonian systems has been drawing increasing attention in scientific machine learning. However, the vast majority of the literature was focused on predicting separable Hamiltonian systems with their kinematic…

Machine Learning · Computer Science 2022-02-22 Shiying Xiong , Yunjin Tong , Xingzhe He , Shuqi Yang , Cheng Yang , Bo Zhu

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

In certain situations, neural networks are trained upon data that obey underlying symmetries. However, the predictions do not respect the symmetries exactly unless embedded in the network structure. In this work, we introduce architectures…

Machine Learning · Computer Science 2022-04-28 Anwesh Bhattacharya , Marios Mattheakis , Pavlos Protopapas

Conventional neural networks are universal function approximators, but because they are unaware of underlying symmetries or physical laws, they may need impractically many training data to approximate nonlinear dynamics. Recently introduced…

Machine Learning · Computer Science 2020-10-30 Anshul Choudhary , John F. Lindner , Elliott G. Holliday , Scott T. Miller , Sudeshna Sinha , William L. Ditto

We consider the problem of learning an interpretable potential energy function from a Hamiltonian system's trajectories. We address this problem for classical, separable Hamiltonian systems. Our approach first constructs a neural network…

Machine Learning · Computer Science 2019-07-30 Harish S. Bhat

A complete geometric classification of symmetries of autonomous Hamiltonian mechanical systems is established; explaining how to obtain their associated conserved quantities in all cases. In particular, first we review well-known results…

Mathematical Physics · Physics 2020-10-05 N. Román-Roy

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

Recognizing symmetries in data allows for significant boosts in neural network training, which is especially important where training data are limited. In many cases, however, the exact underlying symmetry is present only in an idealized…

High Energy Physics - Phenomenology · Physics 2025-04-07 Seth Nabat , Aishik Ghosh , Edmund Witkowski , Gregor Kasieczka , Daniel Whiteson