MoLRSI: A Recursive Self-Improving AI agent for Molecular Discovery
arXiv:2610.39714v1 Announce Type: new Abstract: Molecular discovery requires navigating vast combinatorial search spaces while balancing competing biological objectives. AI agents can automate expert-defined molecular design protocols, but automation alone does not address how to optimize workflows for new tasks or improve their development through experience. Here we introduce MoLRSI, an AI agent that combines systematic optimization of workflows and model architectures with persistent cross-t…