Organizations: Department of Mathematics, Imperial College London
Abstract
We develop a class of diffusion-based stochastic particle optimisation methods for loss functions with intractable gradients. Specifically, we consider problems in which the loss gradient is an integral with respect to a parameter-dependent distribution, a structure that includes training generative models, fine-tuning, and learning latent-variable models. We introduce mean-field dynamics and its interacting-particle approximations, which contain several existing algorithms as special cases and provides a route to constructing new methods. Under well-posedness and joint contractivity assumptions, we prove exponential convergence and show that the continuous-time particle system admits a non-asymptotic error bound. We illustrate it by developing momentum and higher-order Langevin variants and evaluating them on maximum marginal-likelihood estimation and energy-based-model training.
We develop interacting particle algorithms for learning latent variable models with energy-based priors. To do so, we leverage recent developments in particle-based methods for solving maximum marginal likelihood estimation (MMLE) problems. Specifically, we provide a continuous-time framework for learning latent energy-based models, by defining stochastic differential equations (SDEs) that provably solve the MMLE problem. We obtain a practical algorithm as a discretisation of these SDEs and provide theoretical guarantees for the convergence of the proposed algorithm. Finally, we empirically validate the effectiveness of our method on synthetic and image datasets and demonstrate that using a particle based approach offers significant improvement in computational efficiency.
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.
Sampling-based optimization (SBO), like cross-entropy method and evolutionary algorithms, has achieved many successes in solving non-convex problems without gradients, yet its convergence is poorly understood. In this paper, we establish a non-asymptotic convergence analysis for SBO through the lens of smoothing. Specifically, we recast SBO as gradient descent on a smoothed objective, mirroring noise-conditioned score ascent in diffusion models. Our first contribution is a landscape analysis of the smoothed objective, demonstrating how smoothing helps escape local minima and uncovering a fundamental coverage-optimality trade-off: smoothing renders the landscape more benign by enlarging the locally convex region around the global minimizer, but at the cost of introducing an optimality gap. Building on this insight, we establish non-asymptotic convergence guarantees for SBO algorithms to a neighborhood of the global minimizer. Furthermore, we propose an annealed SBO algorithm, Diffusion-Inspired Dual-Annealing (DIDA), which is provably convergent to the global optimum. We conduct extensive numerical experiments to verify our landscape results and also demonstrate the compelling performance of DIDA compared to other gradient-free optimization methods. Lastly, we discuss implications of our results for diffusion models.