arXiv:2607. 27077v1 Announce Type: new Abstract: 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.
By Nicolas B\'ereux, Aur\'elien Decelle, Cyril Furtlehner, Beatriz Seoane
Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics. This challenge has driven the development of Boltzmann Generators (BGs), which allow rapid generation of uncorrelated equilibrium samples by combining a generative model with exact likelihoods and an importance sampling correction.
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.
arXiv:2606. 27361v1 Announce Type: cross Abstract: Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics.
By Danyal Rehman, Charlie B. Tan, Yoshua Bengio, Avishek Joey Bose, Alexander Tong
The paper introduces a new transition kernel for Restricted Boltzmann Machines that operates over the sequence of models used in Deep Tempering. This kernel employs a round‑trip structure, allowing nonlocal moves in a single transition while keeping the RBM sequence unchanged. Experiments demonstrate that it achieves higher sampling quality with fewer transitions than both blocked Gibbs sampling and Deep Tempering, and it stabilizes learning by reducing training failures.
By Kaiji Sekimoto, Muneki Yasuda
The paper introduces Langevin simulated bifurcation (LSB), a fast, parallel Boltzmann sampler that matches the accuracy of sequential MCMC methods. It also proposes conditional expectation matching (CEM), an efficient technique for estimating the effective temperature of samples from energy‑based models with conditional independence. Building on these, the authors develop sampler adaptive learning (SAL), which adjusts the model temperature to align with the distribution produced by LSB, enabling efficient training of semi‑restricted Boltzmann machines (SRBMs) and outperforming conventional methods on synthetic spin‑glass datasets.
By Kentaro Kubo, Hayato Goto