arXiv:2602. 03729v3 Announce Type: replace Abstract: Sampling from unnormalized probability densities is a central challenge in computational science.
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:2601. 21026v2 Announce Type: replace-cross Abstract: Sampling configurations at thermodynamic equilibrium is a central challenge in statistical physics.
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.
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:2502. 04646v2 Announce Type: replace-cross Abstract: Weighted sampling -- sampling from a probability density function (PDF) proportional to the product of a base PDF and a weight function -- is a fundamental technique with wide-ranging applications in variance reduction, biased sampling, data augmentation, and more.
arXiv:2606. 15793v1 Announce Type: cross Abstract: This paper explores policy gradient algorithms for training stochastic policies to sample from structured discrete probability distributions under the Generative Flow Network (GFlowNet) framework.
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.
arXiv:2608. 18004v1 Announce Type: new Abstract: Probabilistic modeling of physical fields benefits from both a data-driven prior and known physical structure such as the governing equations.
arXiv:2606. 30228v1 Announce Type: new Abstract: Modern engineering workflows increasingly rely on massive parallel simulation, driving the need for scalable, large-batch Bayesian Optimization (BO).
arXiv:2606. 27361v1 Announce Type: cross Abstract: Efficient sampling of molecular systems at thermodynamic equilibrium is a hallmark challenge in statistical physics.
arXiv:2608. 17450v1 Announce Type: cross Abstract: Learning restricted Boltzmann machines (RBMs) is computationally challenging because it requires expectations whose exact evaluation is generally intractable.