Learning the generating functional for variance reduction in lattice QCD
Authors: Ryan Abbott, Yang Fu, Daniel C. Hackett, Gurtej Kanwar, Fernando Romero-López, Phiala E. Shanahan
Organizations: 1Physics Department, Columbia University, New York, NY 10027, USA · Center for Theoretical Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · 3The NSF AI Institute for Artificial Intelligence and Fundamental Interactions · 4Fermi National Accelerator Laboratory, Batavia, IL 60510, U.S.A. · 5Higgs Centre for Theoretical Physics, School of Physics and Astronomy, University of Edinburgh, EH9 3FD Edinburgh, United Kingdom · 6Albert Einstein Center, Institute for Theoretical Physics, University of Bern, 3012 Bern, Switzerland
The generating functional in quantum field theory provides the natural framework for constructing correlation functions as derivatives with respect to source operators. We present a methodology that leverages machine-learned normalizing flows to reduce the variance of arbitrary N-point correlation functions of bosonic operators in lattice gauge field theory calculations by encoding a representation of the generating functional. We show that it is possible to systematically approach noiseless estimators of correlation functions in this framework. We demonstrate this methodology with applications to calculations of glueball correlation functions and Wilson loops in Quantum Chromodynamics and Yang-Mills theory. The results show up to three orders of magnitude variance reduction.
Neural generative samplers for lattice field theory can be costly to train and evaluate. When they miss modes or assign them incorrect relative weights, biased observables do not reveal which collective variables are responsible. We project a trained flow-matching velocity onto vector fields built from lattice operators and Fourier modes. In two-dimensional lattice φ4 theory, the projection separates changes in the overall magnetization from the lowest nonzero-momentum fluctuations and guides an explicit invertible proposal that treats them separately. Allowing the amplitude of the lowest nonzero-momentum fluctuations to depend on the magnetization improves the overlap between the proposal and target distributions, while the same two-parameter modification at higher momenta gives smaller improvements. The Metropolis--Hastings correction defines a Markov chain with the target Boltzmann distribution as its stationary law, and the normalized proposal density yields finite-volume partition-function estimates consistent with an independent HMC calculation. At the larger tested volume, the overlap between the proposal and target distributions deteriorates substantially, limiting the range over which the same parameterization remains effective.
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.
We present a first study of a diffusion-based approach to accelerated sampling of the Nf=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.