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.
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.
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:2602. 03729v3 Announce Type: replace Abstract: Sampling from unnormalized probability densities is a central challenge in computational science.
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.
arXiv:2601. 21026v2 Announce Type: replace-cross Abstract: Sampling configurations at thermodynamic equilibrium is a central challenge in statistical physics.
arXiv:2607. 15682v1 Announce Type: new Abstract: Sampling from an unnormalized Boltzmann density requires proposals that move probability mass globally while retaining enough path-probability information for statistical correction.
arXiv:2605. 31498v2 Announce Type: replace Abstract: A long standing challenge in computational chemistry and biophysics is efficiently sampling the Boltzmann distribution of molecules.
arXiv:2606. 04100v1 Announce Type: new Abstract: Machine learning interatomic potentials (MLIPs) enable efficient and accurate atomistic simulations but depend critically on the quality and diversity of the training data.
The paper presents a method that combines flow‑matching models with energy‑based modeling to explicitly construct scalar energy functions for physical fields. These energies are derived from a matching regression objective on a linear Gaussian interpolation, avoiding variational approximations or extra MCMC steps, and can be used for energy‑corrected data generation, out‑of‑distribution detection, and posterior sampling in inverse problems. The approach enables general MCMC samplers that reduce PDE residuals and spectral distance, and it demonstrates that combining data‑driven and physics‑based energies improves OOD detection accuracy.
arXiv:2607. 19198v1 Announce Type: cross Abstract: Amorphous materials exhibit exceptional mechanical and functional properties, yet their rugged energy landscapes are notoriously difficult to sample.
The paper introduces IsingFormer, a Transformer model trained on long‑run MCMC configurations, which provides global proposal moves for Parallel Tempering (PT). By integrating these learned proposals into PT—forming Transformer‑Augmented Parallel Tempering (TAPT)—the authors demonstrate lower residual energies on 3D spin‑glass instances and improved efficiency on integer factorization tasks. A scaling study shows TAPT reduces the time‑to‑solution exponent by about 33% compared to standard PT across tested problem sizes.
arXiv:2510. 11711v3 Announce Type: replace Abstract: This paper proposes a synergy of amortised and particle-based methods for sampling from distributions defined by unnormalised density functions.