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cs.LG2026
CliffSearch: Structured Agentic Co-Evolution over Theory and Code for Scientific Algorithm Discovery
Youssef Mroueh, Carlos Fonseca, Brian Belgodere +1
Scientific algorithm discovery is iterative: hypotheses are proposed, implemented, stress-tested, and revised. Current LLM-guided search systems accelerate proposal generation, but…
cs.LG2025
GP-MoLFormer-Sim: Test Time Molecular Optimization through Contextual Similarity Guidance
Jiri Navratil, Jarret Ross, Payel Das +4
The ability to design molecules while preserving similarity to a target molecule and/or property is crucial for various applications in drug discovery, chemical design, and biology…