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.
By Alessandro Coretti, Nico Unglert, Sebastian Falkner, Georg K. H. Madsen, Christoph Dellago
arXiv:2608. 12624v1 Announce Type: new Abstract: Structure-preserving machine learning embeds physical structure directly into model architectures, yet uncertainty quantification (UQ) for such hard-constrained models remains limited because standard UQ methods may violate the encoded admissibility conditions, require architectural modifications, or impose substantial computational costs.
By Zequn He, Celia Reina
arXiv:2608.31028v1 Announce Type: cross
Abstract: Scientific discovery often requires reasoning over competing hypotheses that are consistent with experimental observations. For mixed-variable and co...
By James Crowley, Faez Ahmed, Anton van Beek
arXiv:2606. 16073v1 Announce Type: new Abstract: Sampling from complex, unnormalized probability densities is a fundamental challenge in Bayesian inference and probabilistic modeling.
By Kirill Korolev, Nikita Morozov, Stepan Pavlenko, Esmeralda S. Whitammer, Sergey Samsonov
arXiv:2606. 09949v1 Announce Type: cross Abstract: Data-driven PDE surrogates are trained with data produced by numerical PDE solvers.
By Pierre Cesar (DATAMOVE), Sofya Dymchenko (DATAMOVE), Abhishek Purandare (DATAMOVE), Bruno Raffin (DATAMOVE)
arXiv:2606. 23838v1 Announce Type: new Abstract: When two or more parameters or labels produce similar data, they are degenerate, or hard to distinguish.
By T. Lucas Makinen, Deaglan J. Bartlett, Niall Jeffrey, Benjamin D. Wandelt