Uniform-in-time convergence bounds for Persistent Contrastive Divergence algorithms

Energy-Based Models (EBMs) provide an interpretable framework for generative modeling of scientific data, but poor Markov Chain Monte Carlo mixing often limits their reliability. We introduce a training algorithm based on Parallel Trajectory Tempering (PTT), which exploits the continuity of the optimization path to maintain equilibrium sampling throughout learning. This enables stable and fast training on highly multimodal and data-scarce scientific datasets. Combined with reservoir sampling and adaptive optimization, PTT has a computational cost comparable to Persistent Contrastive Divergence, making it a practical replacement for standard training methods. It also provides direct estimates of thermalization times, equilibrium samples from trained models, and accurate log-likelihoods at essentially no additional cost. Experiments on Restricted Boltzmann Machines show that PTT consistently outperforms existing EBM training approaches. On discrete tabular data, it also surpasses state-of-the-art deep generative models, yielding higher-quality samples and greater robustness to overfitting and limited data. Our results make equilibrium maximum-likelihood training of EBMs practical and computationally efficient.

Learning an energy-based model from data samples is a central problem in machine learning. Many recent and popular methods, such as denoising score matching for training energy-based diffusion models, use stochastic interpolants to corrupt data samples at different noise levels indexed by a time variable. This defines a joint density over both the data space and time, and most methods learn its energy through either spatial or temporal differences. We identify distinct failure modes for both of these approaches. To solve them, we propose Spatiotemporal Noise-Contrastive Estimation (stNCE), a framework for learning the energy through joint spatiotemporal differences. stNCE unifies many existing methods and leads to new training objectives. Experiments on images and molecules demonstrate performance competitive with state-of-the-art density estimation methods.

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.