Neural Hamiltonian Diffusions for Modeling Structured Geometric Dynamics

We propose Neural Hamiltonian Diffusion (NHD), a unified framework for learning stochastic Hamiltonian dynamics on differentiable manifolds. Unlike conventional Hamiltonian Neural Networks (HNNs), which assume noise-free dynamics in flat Euclidean spaces, our approach models stochastic differential equations (SDEs) on curved manifolds endowed with both a Riemannian metric and a Poisson structure. Specifically, we parameterize a neural Hamiltonian and define the dynamics via a Stratonovich SDE whose drift is the Poisson vector field lifted horizontally to the orthonormal frame bundle. This construction ensures coordinate-invariant, gauge-consistent dynamics across (pseudo-)Riemannian manifolds, enabling physically plausible modeling in systems with geometric constraints, periodicity, or relativistic structure. We establish generalization guarantees under curvature-dependent complexity and demonstrate applications across diverse scientific domains, including toroidal molecular dynamics, quantum spin systems, and relativistic n -body problems in Schwarzschild spacetime.