Authors: Luca Maria Del Bono, Giulio Biroli, Patrick Charbonneau, Marylou Gabrié
Organizations: Dipartimento di Fisica, Sapienza Università di Roma, Piazzale Aldo Moro 5, Rome 00185, Italy · CNR-Nanotec, Rome unit, Piazzale Aldo Moro 5, Rome 00185, Italy · Laboratoire de Physique Statistique, École normale supérieure, PSL Research University, 24 rue Lhomond, 75005 Paris, France · École normale supérieure · Department of Physics, Duke University, Durham, North Carolina 27708, USA · Department of Chemistry, Duke University, Durham, North Carolina 27708, USA
Computational sampling has been central to the sciences since the mid-20th century. While machine-learning-based approaches have recently enabled major advances, their behavior remains poorly understood, with limited theoretical control over when and why they succeed. Here we provide such insight for diffusion models-a class of generative schemes highly effective in practice-by analyzing their application to the O(n) model of statistical field theory in the Gaussian limit n→∞. In this analytically tractable setting, we show that training a score model with a one-layer network architecture matching the exact solution exhibits a form of critical slowing down in parameter learning. This slowing down also impacts the generation process, indicating that the well-known difficulties of sampling near criticality persist even for learned generative models. To overcome this bottleneck, we demonstrate the power of combining architectural depth with physical locality. We find that using a two-layer architecture drastically reduces the critical slowing down, with the training time scaling logarithmically rather than quadratically with system size. By introducing a local score approximation we show that this acceleration in training time can be achieved without increasing the number of neural network parameters. Taken together, these results demonstrate that diffusion models can overcome the critical slowing down through appropriate architectural design, and establish a controlled framework for understanding and improving learned sampling methods in statistical physics and beyond.
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.
Despite the empirical success of score-based diffusion models, a complete theoretical understanding of how finite-sample learning, network parameterization, and numerical discretization jointly dictate generative quality remains underdeveloped. Existing sampling analyses often evaluate the generative performance conditional on an oracle score or a pre-specified error threshold. In this work, we establish a unified convergence and generalization framework for score-based diffusion models parameterized by practical ResNet-type architectures. We analyze the generalization and convergence properties from the practical finite-sample, discrete-time learning problem of the score function to the ideal continuous-time, population-level objective. Based on the generalization result of the learning problem of score function, we analyze the sampling process induced by the learned score function and provide an end-to-end total variation distance estimate for the generated terminal distribution. This estimate explicitly decomposes the overall generative error into four interpretable components: the truncation error of the forward process, the reverse-time discretization error, the generalization error incorporating both finite data and forward-time discretization, and the training optimization gap. Our results quantitatively characterize how the training sample size, temporal discretization grids, and optimization accuracy jointly control the final fidelity of samples generated by diffusion models.
Diffusion models generate samples by denoising along the score of a perturbed target distribution. In practice, one trains a neural diffusion model, which is computationally expensive. Recent work suggests that score matching implicitly smooths the empirical score, and that this smoothing bias promotes generalization by capturing low-dimensional data geometry. We propose moment-matched score-smoothed overdamped Langevin dynamics (MM-SOLD), a training-free interacting particle sampler that enforces the target moments throughout the sampling trajectory. We prove that, in the large-particle limit, the empirical particle density converges to a deterministic limit whose one-particle stationary marginal is a Gibbs--Boltzmann density obtained by exponentially tilting a naive score-smoothed diffusion target. The mean and covariance of this distribution agree with the empirical moments of the training data. Experiments on 2D distributions and latent-space image generation show that MM-SOLD enables fast, robust, training-free sampling on CPUs, with sample fidelity and diversity competitive with neural diffusion baselines.