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This article presents an innovative approach to integrating port-Hamiltonian systems with neural network architectures, transitioning from deterministic to stochastic models. The study presents novel mathematical formulations and…

Dynamical Systems · Mathematics 2024-03-26 Luca Di Persio , Matthias Ehrhardt , Sofia Rizzotto

In traditional Graph Neural Networks (GNNs), the assumption of a fixed embedding manifold often limits their adaptability to diverse graph geometries. Recently, Hamiltonian system-inspired GNNs have been proposed to address the dynamic…

Machine Learning · Computer Science 2024-07-25 Jiaxu Liu , Xinping Yi , Tianle Zhang , Xiaowei Huang

In this work we propose a new numerical approach to distinguish between regular and chaotic orbits in Hamiltonian systems, based on the simultaneous integration of both the orbit and the deviation vectors using a symplectic scheme, hereby…

Chaotic Dynamics · Physics 2015-03-17 Anne-Sophie Libert , Charles Hubaux , Timoteo Carletti

We present a physical interpretation of machine learning functions, opening up the possibility to control properties of statistical systems via the inclusion of these functions in Hamiltonians. In particular, we include the predictive…

High Energy Physics - Lattice · Physics 2021-02-17 Dimitrios Bachtis , Gert Aarts , Biagio Lucini

A recently proposed class of models attempts to learn latent dynamics from high-dimensional observations, like images, using priors informed by Hamiltonian mechanics. While these models have important potential applications in areas like…

Machine Learning · Statistics 2021-11-12 Irina Higgins , Peter Wirnsberger , Andrew Jaegle , Aleksandar Botev

This paper introduces MDP homomorphic networks for deep reinforcement learning. MDP homomorphic networks are neural networks that are equivariant under symmetries in the joint state-action space of an MDP. Current approaches to deep…

Machine Learning · Computer Science 2021-01-21 Elise van der Pol , Daniel E. Worrall , Herke van Hoof , Frans A. Oliehoek , Max Welling

Theoretical and empirical evidence indicates that the depth of neural networks is crucial for their success. However, training becomes more difficult as depth increases, and training of very deep networks remains an open problem. Here we…

Machine Learning · Computer Science 2015-11-24 Rupesh Kumar Srivastava , Klaus Greff , Jürgen Schmidhuber

Symplectic integrators can be excellent for Hamiltonian initial value problems. Reasons for this include their preservation of invariant sets like tori, good energy behaviour, nonexistence of attractors, and good behaviour of statistical…

Numerical Analysis · Mathematics 2018-09-19 Robert I McLachlan , Christian Offen

Training deep neural networks (DNNs) can be difficult due to the occurrence of vanishing/exploding gradients during weight optimization. To avoid this problem, we propose a class of DNNs stemming from the time discretization of Hamiltonian…

Machine Learning · Computer Science 2021-04-28 Clara L. Galimberti , Liang Xu , Giancarlo Ferrari Trecate

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

We implement and investigate the numerical properties of a new family of integrators connecting both variants of the symplectic Euler schemes, and including an alternative to the classical symplectic mid-point scheme, with some additional…

Numerical Analysis · Mathematics 2015-08-14 Hugo Jiménez-Pérez , Jean-Pierre Vilotte , Barbara Romanowicz

Symplectic numerical methods have become a widely-used choice for the accurate simulation of Hamiltonian systems in various fields, including celestial mechanics, molecular dynamics and robotics. Even though their characteristics are…

Numerical Analysis · Mathematics 2025-06-27 Donát M. Takács , Tamás Fülöp

Heterogeneous Graph Neural Networks (HGNNs) have achieved promising results in various heterogeneous graph learning tasks, owing to their superiority in capturing the intricate relationships and diverse relational semantics inherent in…

Machine Learning · Computer Science 2025-07-15 Yunhui Liu , Xinyi Gao , Tieke He , Jianhua Zhao , Hongzhi Yin

Persistent homology has been applied to brain network analysis for finding the shape of brain networks across multiple thresholds. In the persistent homology, the shape of networks is often quantified by the sequence of $k$-dimensional…

Quantitative Methods · Quantitative Biology 2018-11-13 Hyekyoung Lee , Moo K. Chung , Hongyoon Choi , Hyejin Kang , Seunggyun Ha , Yu Kyeong Kim , Dong Soo Lee

Hybrid machine learning based on Hamiltonian formulations has recently been successfully demonstrated for simple mechanical systems, both energy conserving and not energy conserving. We introduce a pseudo-Hamiltonian formulation that is a…

Machine Learning · Computer Science 2023-02-15 Sølve Eidnes , Alexander J. Stasik , Camilla Sterud , Eivind Bøhn , Signe Riemer-Sørensen

Neural network training is typically viewed as gradient descent on a loss surface. We propose a fundamentally different perspective: learning is a structure-preserving transformation (a functor L) between the space of network parameters…

Machine Learning · Computer Science 2025-10-07 Abdulrahman Tamim

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

Symplectic integrators offer many advantages for the numerical solution of Hamiltonian differential equations, including bounded energy error and the preservation of invariant sets. Two of the central Hamiltonian systems encountered in…

Plasma Physics · Physics 2018-05-23 C. Leland Ellison , John M. Finn , Joshua W. Burby , Michael Kraus , Hong Qin , William M. Tang

In this work, a kernel-based surrogate for integrating Hamiltonian dynamics that is symplectic by construction and tailored to large prediction horizons is proposed. The method learns a scalar potential whose gradient enters a…

Numerical Analysis · Mathematics 2026-01-27 Robin Herkert , Tobias Ehring , Bernard Haasdonk

Physics-inspired neural networks (NNs), such as Hamiltonian or Lagrangian NNs, dramatically outperform other learned dynamics models by leveraging strong inductive biases. These models, however, are challenging to apply to many real world…

Machine Learning · Computer Science 2022-02-15 Nate Gruver , Marc Finzi , Samuel Stanton , Andrew Gordon Wilson