arXiv Machine Learning By Winfried Ripken, Michael Plainer, Gregor Lied, Thorben Frank, Oliver T. Unke, Stefan Chmiela, Frank No\'e, Klaus-Robert M\"uller

Learning Hamiltonian Flow Maps: Mean Flow Consistency for Large-Timestep Molecular Dynamics

Read the original on arXiv Machine Learning →

arXiv:2601. 22123v4 Announce Type: replace Abstract: Simulating the long-time evolution of Hamiltonian systems is limited by the small timesteps required for stable numerical integration.

Summary generated by The Flow from the publisher's feed. The full article lives at arXiv Machine Learning.

arXiv Machine Learning
Jul 10

Neural non-canonical Hamiltonian dynamics for long-time simulations

arXiv:2510. 01788v2 Announce Type: replace Abstract: 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.

By Cl\'ementine Court\`es (IRMA, MACARON), Emmanuel Franck (MACARON), Michael Kraus (IPP), Laurent Navoret (IRMA, MACARON), L\'eopold Tr\'emant (LML)