Evolutionary One-Step Generators: Fast and Diverse Sampling for Discrete Design

Excerpt

arXiv:2610.08367v1 Announce Type: new Abstract: Several discrete design tasks, such as molecular discovery, require diverse collections of useful candidates at low computational cost. High validity alone does not guarantee a useful candidate library: repeatedly generating the same valid structures leaves few distinct alternatives. Training for both feasibility and diversity is challenging because many relevant criteria can only be evaluated after hard decoding. To address this challenge, we prop