Machine learning for four-dimensional SU(3) lattice gauge theories

Implicit score matching provides a computationally efficient approach for training diffusion models and generating high-quality samples from complex distributions. In this work, we develop a score-matching framework for SU(N) lattice gauge theories, which can be extended to other Lie groups. We apply the method to SU(3) gauge configurations with the Wilson gauge action in two and four dimensions and assess the quality of the generated samples by comparison with Hybrid Monte Carlo (HMC) simulations. We show that the diffusion models can be successfully trained and applied for sampling the Wilson gauge action. For large values of inverse coupling, accurate reverse-time integration requires predictor-corrector schemes, for which we introduce a corrector based on Hamiltonian molecular dynamics. While the corrector significantly improves sampling quality, it also increases the computational cost. We outline several strategies for improving sampling efficiency.

In the Wilson formulation of lattice gauge theory, the fundamental degrees of freedom are group-valued link variables, while the action is a sum over the trace of the plaquettes, the smallest Wilson loops. For generative sampling methods such as normalizing flows, this poses a challenge: the distribution of an individual plaquette is easy to model, but mapping sampled plaquettes to the links is the obstruction. We explore a statistical way around this in two dimensions for the $\mathrm{SU}(N)$ gauge theory with the Wilson plaquette action. The action can be written in terms of holonomy variables, which determine the links once a consistency condition at the four corners of an extended lattice is satisfied. Using a boundary condition that only affects the holonomies, we trade this consistency condition for a conditional sampling problem, which reduces to sampling $X,Y\in\mathrm{SU}(N)$ given the group commutator $Z=XYX^\dagger Y^\dagger$, where $Z\in\mathrm{SU}(N)$ depends on the four corners. Plaquettes are sampled independently, and the resulting configurations carry weights due to the additional conditional sampling. We obtain the density of $Z$, which determines these weights, in closed form for $\mathrm{SU}(2)$ and $\mathrm{SU}(3)$. A normalizing flow models the single-plaquette distribution for $\mathrm{SU}(2)$ and $\mathrm{SU}(3)$; for the group-commutator problem we use a closed-form sampler for $\mathrm{SU}(2)$ and a trained normalizing flow for $\mathrm{SU}(3)$. In our tests on $2\times2$ and $32\times32$ lattices at two couplings each, per-plaquette acceptance rates exceed $99\%$ and the effective sample size of the final weights is moderate, typically above one half.

We present a first study of a diffusion-based approach to accelerated sampling of the $N_f = 2$ lattice Schwinger model. Our work is inspired by recent and growing successes in developing such generative models for ensemble generation in LFT to overcome the well-known critical slowing down problem. We train a U(1)-equivariant score-based generative model to sample gauge link configurations from the marginal Schwinger model. By computing model likelihoods, we obtain unbiased estimates for observables that closely match those produced by MCMC simulations. We also demonstrate improvement over HMC as measured qualitatively by a reduction in topological freezing near critical parameters.