arXiv:2606. 27481v1 Announce Type: cross Abstract: We present a first study of a diffusion-based approach to accelerated sampling of the $N_f = 2$ lattice Schwinger model.
arXiv:2606. 30773v1 Announce Type: cross Abstract: We introduce a novel technique for scalable sampling of spin-system states with continuous symmetries using diffusion models.
arXiv:2510. 26081v2 Announce Type: replace-cross Abstract: Near the critical point, Markov Chain Monte Carlo (MCMC) simulations of lattice quantum field theories (LQFT) become increasingly inefficient due to critical slowing down.
arXiv:2609.15894v1 Announce Type: cross Abstract: Some of the sharpest challenges in sampling from the energy functions of physical systems arise at phase transitions, where the density of states cha...
arXiv:2605.11199v2 Announce Type: replace-cross Abstract: Neural generative samplers for lattice field theory can be costly to train and evaluate. When they miss modes or assign them incorrect relati...
arXiv:2608. 07648v1 Announce Type: cross Abstract: Sampling high-dimensional probability distributions is a central task in scientific computing, with applications ranging from Bayesian inference to statistical physics and molecular simulation.
arXiv:2609.27306v1 Announce Type: new Abstract: Conventional score-based diffusion models learn scores without representing normalized densities, whereas tractable normalized models support both samp...
METALICA is a new method that combines Metadynamics with Replica Exchange on pretrained diffusion models to improve sampling of rare conformational states in proteins. It builds a bias potential along a chosen Collective Variable, pushes new samples away from previously visited ones, and reweights them to recover the unbiased distribution. By running one replica per diffusion level and allowing inter‑replica communication, METALICA can generate long Markov chains that uncover rare events, as demonstrated on a bimodal test system and on protein unfolding where it reveals a second free‑energy minimum that other methods miss.
The paper introduces NS‑Flows, a flow‑based nested sampling method that replaces Markov‑chain updates with a conditional normalizing flow trained on live sets. By applying this technique to a Lennard‑Jones particle system, the authors achieve over two orders of magnitude fewer energy evaluations and a roughly one‑third reduction in wall‑clock time compared to traditional nested sampling. The study also shows that the flow’s generation efficiency varies non‑monotonically along the annealing trajectory, providing a diagnostic of the system’s internal mode complexity and identifying liquid‑like ensembles as the most challenging for current flow architectures.
arXiv:2605.12597v3 Announce Type: replace-cross Abstract: Computational sampling has been central to the sciences since the mid-20th century. While machine-learning-based approaches have recently ena...
arXiv:2602. 16634v2 Announce Type: replace-cross Abstract: The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation.
arXiv:2608. 12438v1 Announce Type: new Abstract: We formulate generative modeling as a path integral in which flow-based, diffusion-based, variational, and adversarial models arise as different evaluation principles for a single master action.
arXiv:2607. 04780v1 Announce Type: cross Abstract: Sequential Monte Carlo (SMC) methods are a natural tool for post-hoc conditioning of pretrained generative models, but in many applications the mutation kernels used by the particle system are biased approximations of an ideal Feynman--Kac flow.