Kernel Approximation of Fisher-Rao Gradient Flows

The purpose of this paper is to answer a few open questions in the interface of kernel methods and PDE gradient flows. Motivated by recent advances in machine learning, particularly in generative modeling and sampling, we present a rigorous investigation of Fisher-Rao and Wasserstein type gradient flows concerning their gradient structures, flow equations, and their kernel approximations. Specifically, we focus on the Fisher-Rao (also known as Hellinger) geometry and its various kernel-based approximations, developing a principled theoretical framework using tools from PDE gradient flows and optimal transport theory. We also provide a complete characterization of gradient flows in the maximum-mean discrepancy (MMD) space, with connections to existing learning and inference algorithms. Our analysis reveals precise theoretical insights linking Fisher-Rao flows, Stein flows, kernel discrepancies, and nonparametric regression. We then rigorously prove evolutionary $\Gamma$-convergence for kernel-approximated Fisher-Rao flows, providing theoretical guarantees beyond pointwise convergence. Finally, we analyze energy dissipation using the Helmholtz-Rayleigh principle, establishing important connections between classical theory in mechanics and modern machine learning practice. Our results provide a unified theoretical foundation for understanding and analyzing approximations of gradient flows in machine learning applications through a rigorous gradient flow and variational method perspective.

Interaction-Force Transport Gradient Flows

This paper presents a new type of gradient flow geometries over non-negative and probability measures motivated via a principled construction that combines the optimal transport and interaction forces modeled by reproducing kernels. Concretely, we propose the interaction-force transport (IFT) gradient flows and its spherical variant via an infimal convolution of the Wasserstein and spherical MMD Riemannian metric tensors. We then develop a particle-based optimization algorithm based on the JKO-splitting scheme of the mass-preserving spherical IFT gradient flows. Finally, we provide both theoretical global exponential convergence guarantees and empirical simulation results for applying the IFT gradient flows to the sampling task of MMD-minimization studied by Arbel et al. [2019]. Furthermore, we prove that the spherical IFT gradient flow enjoys the best of both worlds by providing the global exponential convergence guarantee for both the MMD and KL energy.