AI RESEARCH
Purely Agent-Driven Black-Box Optimization for Biological Design
arXiv CS.LG
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ArXi:2601.22382v2 Announce Type: replace Many key challenges in biological design -- such as small-molecule drug discovery, antimicrobial peptide development, and protein engineering -- can be framed as black-box optimization over vast, complex structured spaces. Existing methods rely mainly on raw structural data and struggle to exploit the rich scientific literature. While large language models (LLMs) have been added to these pipelines, they have been confined to narrow roles within structure-centered optimizers.