Implicit Bias of the JKO Scheme

Abstract

Wasserstein gradient flow provides a general framework for minimizing an energy functional $J$ over the space of probability measures on a Riemannian manifold $(M,g)$. Its canonical time-discretization, the Jordan-Kinderlehrer-Otto (JKO) scheme, produces for any step size $\eta>0$ a sequence of probability distributions $\rho_k^\eta$ that approximate to first order in $\eta$ Wasserstein gradient flow on $J$. But the JKO scheme also has many other remarkable properties not shared by other first order integrators, e.g. it preserves energy dissipation and exhibits unconditional stability for $\lambda$-geodesically convex functionals $J$. To better understand the JKO scheme we characterize its implicit bias at second order in $\eta$. We show that $\rho_k^\eta$ are approximated to order $\eta^2$ by Wasserstein gradient flow on a modified energy \[ J^{\eta}(\rho) = J(\rho) - \frac{\eta}{4}\int_M \Big\lVert \nabla_g \frac{\delta J}{\delta \rho} (\rho) \Big\rVert_{2}^{2} \,\rho(dx), \] obtained by subtracting from $J$ the squared metric curvature of $J$ times $\eta/4$. The JKO scheme therefore adds at second order in $\eta$ a deceleration in directions where the metric curvature of $J$ is rapidly changing. This corresponds to canonical implicit biases for common functionals: for entropy the implicit bias is the Fisher information, for KL-divergence it is the Fisher-Hyv{\"a}rinen divergence, and for Riemannian gradient descent it is the kinetic energy in the metric $g$. To understand the differences between minimizing $J$ and $J^\eta$ we study JKO-Flow, Wasserstein gradient flow on $J^\eta$, in several simple numerical examples. These include exactly solvable Langevin dynamics on the Bures-Wasserstein space and Langevin sampling from a quartic potential in 1D.