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N. Unglert

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#machine learning Preprint Sep 2026

Generative Nested Sampling of Atomistic Thermodynamic Landscapes

This work introduces NS-Flows: a single conditional normalizing flow, conditioned on the NS energy bound and trained on a sliding window of recent live sets, that replaces MCMC by direct parallel draws corrected by importance-weighted rejection resampling, allowing flow training without structured priors or a pre-exist...

A. Coretti, N. Unglert, Sebastian Falkner et al. · 0 citations