arXiv Machine Learning

A matched-integrator evaluation of Hamiltonian neural networks on pendulum and Kepler dynamics

arXiv:2608. 10235v1 Announce Type: new Abstract: Hamiltonian Neural Networks (HNNs) parameterize conservative dynamics through a learned scalar Hamiltonian, providing an architectural prior that is absent from generic vector-field neural networks.

arXiv Machine Learning
Jun 26

Symplectic Neural Networks for learning Generalized Hamiltonians

arXiv:2606. 27029v1 Announce Type: new Abstract: Hamiltonian Neural Networks (HNNs) integrate physical priors into neural models by learning a system's Hamiltonian, improving generalization and sample efficiency.

By Harsh Choudhary, Vyacheslav Kungurtsev, Chandan Gupta, Melvin Leok, Georgios Korpas
arXiv Machine Learning
Sep 4

Data-efficient Kernel Methods for Learning Hamiltonian Systems

The paper introduces kernel-based methods for learning Hamiltonian systems directly from trajectory data, offering both a 2‑step approach (reconstruct trajectories first, then learn the Hamiltonian) and a 1‑step approach (joint inference). Experiments on mass‑spring dynamics, a nonlinear pendulum, and the Henon‑Heiles system show that the methods achieve accurate, data‑efficient predictions, outperforming 2‑step baselines especially when data are scarce, while preserving the Hamiltonian structure. The authors also provide a priori error estimates and a general numerical framework applicable to arbitrary dynamical systems.

By Yasamin Jalalian, Mostafa Samir, Boumediene Hamzi, Peyman Tavallali, Houman Owhadi
arXiv Machine Learning
Aug 14

History-informed Lagrangian Neural Networks

arXiv:2608. 13215v1 Announce Type: new Abstract: Forecasting the long-horizon evolution of mechanical systems from position-only observations is a pivotal yet difficult task, as hidden velocities and trajectory-specific physical properties must be inferred simultaneously.

By Tianshuo Zhang, Xianglei Xing, Wenzhe Zhai, Jia Gao, He Cao
arXiv AI
Jun 15

A Fixed-Point Neural Operator for Size- and Functional-Transferable Hamiltonian Prediction

arXiv:2606. 14498v1 Announce Type: cross Abstract: Predicting the Kohn-Sham Hamiltonian with machine learning can accelerate density functional theory while retaining access to molecular orbitals, energy levels, and electronic-structure observables that energy-only surrogates cannot resolve.

By Yunhong Lou, Xihang Yue, Xinran Wei, Tianqi Deng, Linchao Zhu