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:2607. 03809v1 Announce Type: new Abstract: Normalising flows provide a powerful variational family for approximate inference, yet individual architectures often fail to generalise across heterogeneous posterior geometries.
By Benjamin Wiriyapong, Oktay Karakus, Can Eyupoglu, Kirill Sidorov
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.
By Saleh Bunaiyan, Corentin Delacour, Shuvro Chowdhury, Kyle Lee, Abdelrahman S. Abdelrahman, Kerem Y. Camsari
arXiv:2509. 23385v5 Announce Type: replace-cross Abstract: Simulation-based inference (SBI) is transforming experimental sciences by enabling parameter estimation in complex non-linear models from simulated data.
By Pierre-Louis Ruhlmann, Michael Arbel, Florence Forbes, Pedro L. C. Rodrigues
arXiv:2609.22663v1 Announce Type: cross
Abstract: Molecular systems have many degrees of freedom, but their metastable behavior can often be described by a few collective variables. Identifying these...
By Venkata Sai Sreyas Adury (Chemical Physics Program and Institute for Physical Science and Technology, University of Maryland), Pratyush Tiwary (Biophysics Program and Institute for Physical Science and Technology, University of Maryland, Department of Chemistry and Biochemistry and Institute for Physical Science and Technology, University of Maryland, University of Maryland Institute for Health Computing, Bethesda, USA)
arXiv:2608. 12795v1 Announce Type: cross Abstract: Simulating the ALICE Zero Degree Calorimeter (ZDC) neutron detector responses at the LHC is computationally expensive, requiring complex Monte Carlo chains.
By Emilia Majerz, Jacek Otwinowski, Witold Dzwinel, Jacek Kitowski