papersSEP 10 04:00 UTC
New Paper Addresses Mode Coverage Gaps in Normalizing Flow Boltzmann Generators
A new arXiv study examines why normalizing flow Boltzmann generators trained with forward KL divergence can miss portions of a target distribution when the available training samples are biased or incomplete. The authors propose using variation in the log-ratio of importance weights as a signal to detect when a flow's samples fail to cover target modes. The approach aims to improve the reliability of flow-based samplers used in statistical physics and molecular simulation.