Daniel C. Hackett

Ryan Abbott, Michael S. Albergo, Denis Boyda et al. · deepmind

This work presents gauge-equivariant architectures for flow-based sampling in fermionic lattice field theories using pseudofermions as stochastic estimators for the fermionic determinant. This is the default approach in state-of-the-art lattice field theory calculations, making this development critical to the practical application of flow models to theories such as QCD. Methods by which flow-based sampling approaches can be improved via standard techniques such as even/odd preconditioning and the Hasenbusch factorization are also outlined. Numerical demonstrations in two-dimensional U(1) and SU(3) gauge theories with $N_f=2$ flavors of fermions are provided.

Ryan Abbott, Michael S. Albergo, Aleksandar Botev et al. · deepmind

Recent applications of machine-learned normalizing flows to sampling in lattice field theory suggest that such methods may be able to mitigate critical slowing down and topological freezing. However, these demonstrations have been at the scale of toy models, and it remains to be determined whether they can be applied to state-of-the-art lattice quantum chromodynamics calculations. Assessing the viability of sampling algorithms for lattice field theory at scale has traditionally been accomplished using simple cost scaling laws, but as we discuss in this work, their utility is limited for flow-based approaches. We conclude that flow-based approaches to sampling are better thought of as a broad family of algorithms with different scaling properties, and that scalability must be assessed experimentally.

Salvatore Calì, Daniel C. Hackett, Yin Lin et al.

This work develops neural-network--based preconditioners to accelerate solution of the Wilson-Dirac normal equation in lattice quantum field theories. The approach is implemented for the two-flavor lattice Schwinger model near the critical point. In this system, neural-network preconditioners are found to accelerate the convergence of the conjugate gradient solver compared with the solution of unpreconditioned systems or those preconditioned with conventional approaches based on even-odd or incomplete Cholesky decompositions, as measured by reductions in the number of iterations and/or complex operations required for convergence. It is also shown that a preconditioner trained on ensembles with small lattice volumes can be used to construct preconditioners for ensembles with many times larger lattice volumes, with minimal degradation of performance. This volume-transferring technique amortizes the training cost and presents a pathway towards scaling such preconditioners to lattice field theory calculations with larger lattice volumes and in four dimensions.

Ryan Abbott, Denis Boyda, Yang Fu et al.

Normalizing flows can be used to construct unbiased, reduced-variance estimators for lattice field theory observables that are defined by a derivative with respect to action parameters. This work implements the approach for observables involving gluonic operator insertions in the SU(3) Yang-Mills theory and two-flavor Quantum Chromodynamics (QCD) in four space-time dimensions. Variance reduction by factors of $10$-$60$ is achieved in glueball correlation functions and in gluonic matrix elements related to hadron structure, with demonstrated computational advantages. The observed variance reduction is found to be approximately independent of the lattice volume, so that volume transfer can be utilized to minimize training costs.

Sebastian A. R. Ellis, Daniel C. Hackett, Shirley Weishi Li et al.

Precise neutrino energy reconstruction is essential for next-generation long-baseline oscillation experiments, yet current methods remain limited by large uncertainties in neutrino-nucleus interaction modeling. Even so, it is well established that different interaction channels produce systematically varying amounts of missing energy and therefore yield different reconstruction performance--information that standard calorimetric approaches do not exploit. We introduce a strategy that incorporates this structure by classifying events according to their underlying interaction type prior to energy reconstruction. Using supervised machine-learning techniques trained on labeled generator events, we leverage intrinsic kinematic differences among quasi-elastic scattering, meson-exchange current, resonance production, and deep-inelastic scattering processes. A cross-generator testing framework demonstrates that this classification approach is robust to microphysics mismodeling and, when applied to a simulated DUNE $ν_μ$ disappearance analysis, yields improved accuracy and sensitivity. These results highlight a practical path toward reducing reconstruction-driven systematics in future oscillation measurements.

Ryan Abbott, Michael S. Albergo, Denis Boyda et al.

Normalizing flows are machine-learned maps between different lattice theories which can be used as components in exact sampling and inference schemes. Ongoing work yields increasingly expressive flows on gauge fields, but it remains an open question how flows can improve lattice QCD at state-of-the-art scales. We discuss and demonstrate two applications of flows in replica exchange (parallel tempering) sampling, aimed at improving topological mixing, which are viable with iterative improvements upon presently available flows.

Daniel C. Hackett, Joshua Isaacson, Shirley Weishi Li et al.

Neutrino-nucleus scattering cross sections are critical theoretical inputs for long-baseline neutrino oscillation experiments. However, robust modeling of these cross sections remains challenging. For a simple but physically motivated toy model of the DUNE experiment, we demonstrate that an accurate neural-network model of the cross section -- leveraging Standard Model symmetries -- can be learned from near-detector data. We then perform a neutrino oscillation analysis with simulated far-detector events, finding that the modeled cross section achieves results consistent with what could be obtained if the true cross section were known exactly. This proof-of-principle study highlights the potential of future neutrino near-detector datasets and data-driven cross-section models.

Ryan Abbott, Aleksandar Botev, Denis Boyda et al.

Machine-learned normalizing flows can be used in the context of lattice quantum field theory to generate statistically correlated ensembles of lattice gauge fields at different action parameters. This work demonstrates how these correlations can be exploited for variance reduction in the computation of observables. Three different proof-of-concept applications are demonstrated using a novel residual flow architecture: continuum limits of gauge theories, the mass dependence of QCD observables, and hadronic matrix elements based on the Feynman-Hellmann approach. In all three cases, it is shown that statistical uncertainties are significantly reduced when machine-learned flows are incorporated as compared with the same calculations performed with uncorrelated ensembles or direct reweighting.

Ryan Abbott, Michael S. Albergo, Aleksandar Botev et al.

Applications of normalizing flows to the sampling of field configurations in lattice gauge theory have so far been explored almost exclusively in two space-time dimensions. We report new algorithmic developments of gauge-equivariant flow architectures facilitating the generalization to higher-dimensional lattice geometries. Specifically, we discuss masked autoregressive transformations with tractable and unbiased Jacobian determinants, a key ingredient for scalable and asymptotically exact flow-based sampling algorithms. For concreteness, results from a proof-of-principle application to SU(3) lattice gauge theory in four space-time dimensions are reported.

Michael S. Albergo, Denis Boyda, Kyle Cranmer et al.

Recent results suggest that flow-based algorithms may provide efficient sampling of field distributions for lattice field theory applications, such as studies of quantum chromodynamics and the Schwinger model. In this work, we provide a numerical demonstration of robust flow-based sampling in the Schwinger model at the critical value of the fermion mass. In contrast, at the same parameters, conventional methods fail to sample all parts of configuration space, leading to severely underestimated uncertainties.

Denis Boyda, Salvatore Calì, Sam Foreman et al.

There is great potential to apply machine learning in the area of numerical lattice quantum field theory, but full exploitation of that potential will require new strategies. In this white paper for the Snowmass community planning process, we discuss the unique requirements of machine learning for lattice quantum field theory research and outline what is needed to enable exploration and deployment of this approach in the future.

Daniel C. Hackett, Chung-Chun Hsieh, Sahil Pontula et al.

Recent results have demonstrated that samplers constructed with flow-based generative models are a promising new approach for configuration generation in lattice field theory. In this paper, we present a set of training- and architecture-based methods to construct flow models for targets with multiple separated modes (i.e.~vacua) as well as targets with extended/continuous modes. We demonstrate the application of these methods to modeling two-dimensional real and complex scalar field theories in their symmetry-broken phases. In this context we investigate different flow-based sampling algorithms, including a composite sampling algorithm where flow-based proposals are occasionally augmented by applying updates using traditional algorithms like HMC.

Michael S. Albergo, Gurtej Kanwar, Sébastien Racanière et al.

Algorithms based on normalizing flows are emerging as promising machine learning approaches to sampling complicated probability distributions in a way that can be made asymptotically exact. In the context of lattice field theory, proof-of-principle studies have demonstrated the effectiveness of this approach for scalar theories, gauge theories, and statistical systems. This work develops approaches that enable flow-based sampling of theories with dynamical fermions, which is necessary for the technique to be applied to lattice field theory studies of the Standard Model of particle physics and many condensed matter systems. As a practical demonstration, these methods are applied to the sampling of field configurations for a two-dimensional theory of massless staggered fermions coupled to a scalar field via a Yukawa interaction.

Michael S. Albergo, Denis Boyda, Daniel C. Hackett et al.

This notebook tutorial demonstrates a method for sampling Boltzmann distributions of lattice field theories using a class of machine learning models known as normalizing flows. The ideas and approaches proposed in arXiv:1904.12072, arXiv:2002.02428, and arXiv:2003.06413 are reviewed and a concrete implementation of the framework is presented. We apply this framework to a lattice scalar field theory and to U(1) gauge theory, explicitly encoding gauge symmetries in the flow-based approach to the latter. This presentation is intended to be interactive and working with the attached Jupyter notebook is recommended.

Denis Boyda, Gurtej Kanwar, Sébastien Racanière et al.

We develop a flow-based sampling algorithm for $SU(N)$ lattice gauge theories that is gauge-invariant by construction. Our key contribution is constructing a class of flows on an $SU(N)$ variable (or on a $U(N)$ variable by a simple alternative) that respect matrix conjugation symmetry. We apply this technique to sample distributions of single $SU(N)$ variables and to construct flow-based samplers for $SU(2)$ and $SU(3)$ lattice gauge theory in two dimensions.

Gurtej Kanwar, Michael S. Albergo, Denis Boyda et al.

We define a class of machine-learned flow-based sampling algorithms for lattice gauge theories that are gauge-invariant by construction. We demonstrate the application of this framework to U(1) gauge theory in two spacetime dimensions, and find that near critical points in parameter space the approach is orders of magnitude more efficient at sampling topological quantities than more traditional sampling procedures such as Hybrid Monte Carlo and Heat Bath.