Evolutionary One-Step Generators: Fast and Diverse Sampling for Discrete Design
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 propose EGO (Evolutionary Generators with One-step inference), a framework for training compact generators directly on discrete outputs. The method combines distribution matching with structural constraints and optional diversity or history-dependen...
| Authors | Marcus Vukojevic, Erik Nielsen, Veronica Lachi et al. |
|---|---|
| Primary category | cs.LG |
| Published | 6 October 2026 |
| Last updated at source | 6 October 2026 |
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