It is demonstrated 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.
Abstract
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 $n \to \infty$. 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 consider the power of architectural depth. 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. Using a Fourier implementation of the architecture, we further show that this acceleration in training time can be achieved without drastically increasing operational complexity. 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.
Overparameterization remains beneficial when paired with regularization: in the random-features theory and in U-Net experiments, optimally regularized large models---via a ridge penalty or early stopping, respectively---outperform any unregularized models.
Raphaël Urfin, Tony Bonnaire, Giulio Biroli et al.· 0 citations
Diffusion models trained on a finite dataset first learn to generate novel, high-quality samples and only much later collapse onto their training set. We identify the mechanism behind this separation of timescales and the object that probes it. The training dynamics of the score function are governed---exactly, and at...
Raphaël Urfin, Tony Bonnaire, Giulio Biroli et al.· 1 citation
Despite their empirical success, why diffusion models overcome the bottlenecks of classical score-based samplers remains unclear. In this work, we leverage Gaussian distributions to isolate this phenomenon. We establish 2-Wasserstein convergence bounds for optimized hyperparameters, showing that diffusion processes ach...
Adam Perbost, Francis R. Bach, Pierre Marion· 0 citations
Sampling equilibrium field configurations remains a major computational bottleneck in lattice field theory, motivating the development of generative samplers that can produce independent configurations. Diffusion models are promising for this purpose, but their standard denoising score matching objective requires sampl...
Dennis Grinwald, A. Singha, Khaled Kahouli et al.· 1 citation
Diffusion models have become the leading paradigm in generative modeling, yet many applications require sampling from distributions that are not those of any single pretrained model, but are instead defined through combinations of several models, possibly tilted toward high values of a downstream reward. Naively combin...
Diffusion models are typically viewed as stochastic processes that transform noise into data. We take a complementary perspective: a diffusion model defines a family of deterministic dynamical systems indexed by noise scale. At each fixed scale $\sigma$, we treat the denoiser as a self-map and study its dynamics. For a...
C. Amado, Marco Fumero, Francesco Locatello· 0 citations
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