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Vincent Souveton

Publications and source records attributed to Vincent Souveton.

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Riemannian Neural Hamiltonian Flows: Geodesic Symplectic Transport and Interpretability

Hamiltonian normalizing flows are attractive generative models because their phase-space maps are invertible and volume preserving, but most neural constructions are formulated in Euclidean space. We introduce Riemannian Neural Hamiltonian Flows, which combine the fixed kinetic energy of a Riemannian manifold, a learned scalar potential, and an explicit geodesic leapfrog integrator. Our analysis explains how the learned Hamiltonian can be made interpretable. Every normalizable potential defines an implicit profile, and the position marginal initially accelerates along the relative score between that profile and the base. The matched potential is the interpretable specialization for which the implicit profile is the target. In the isotropic Gaussian case, the mechanism corresponds to a phase-space rotation. A local harmonic analysis extends this result around each mode of a general target on a manifold. The gap between the learned and the matched potential is the sum of a residual memory of the base and a bias of the model, and the two potentials agree when the position base has been transferred to the momentum. This can be achieved when the former is broader than the target. Numerical experiments on Euclidean, hyperbolic, and spherical spaces show competitive sample quality and numerical cost against a Riemannian continuous normalizing flow, and confirm the interpretability of the learned potential.

cs.LG

Fixed-kinetic Neural Hamiltonian Flows for enhanced interpretability and reduced complexity

Normalizing Flows (NF) are Generative models which transform a simple prior distribution into the desired target. They however require the design of an invertible mapping whose Jacobian determinant has to be computable. Recently introduced, Neural Hamiltonian Flows (NHF) are Hamiltonian dynamics-based flows, which are continuous, volume-preserving and invertible and thus make for natural candidates for robust NF architectures. In particular, their similarity to classical Mechanics could lead to easier interpretability of the learned mapping. In this paper, we show that the current NHF architecture may still pose a challenge to interpretability. Inspired by Physics, we introduce a fixed-kinetic energy version of the model. This approach improves interpretability and robustness while requiring fewer parameters than the original model. We illustrate that on a 2D Gaussian mixture and on the MNIST and Fashion-MNIST datasets. Finally, we show how to adapt NHF to the context of Bayesian inference and illustrate the method on an example from cosmology.

cs.LG

Hamiltonian Normalizing Flows as kinetic PDE solvers: application to the 1D Vlasov-Poisson Equations

Many conservative physical systems can be described using the Hamiltonian formalism. A notable example is the Vlasov-Poisson equations, a set of partial differential equations that govern the time evolution of a phase-space density function representing collisionless particles under a self-consistent potential. These equations play a central role in both plasma physics and cosmology. Due to the complexity of the potential involved, analytical solutions are rarely available, necessitating the use of numerical methods such as Particle-In-Cell. In this work, we introduce a novel approach based on Hamiltonian-informed Normalizing Flows, specifically a variant of Fixed-Kinetic Neural Hamiltonian Flows. Our method transforms an initial Gaussian distribution in phase space into the final distribution using a sequence of invertible, volume-preserving transformations derived from Hamiltonian dynamics. The model is trained on a dataset comprising initial and final states at a fixed time T, generated via numerical simulations. After training, the model enables fast sampling of the final distribution from any given initial state. Moreover, by automatically learning an interpretable physical potential, it can generalize to intermediate states not seen during training, offering insights into the system's evolution across time.

cs.LG