ADAPT for Science: A Multi-Agent System for Self-Evolving Scientific Optimization

Zhaoran Feng, Yuchen Ni, Jianan Liu, Lemao Liu, Dejing Dou +1

Scientific discovery often requires identifying a small number of high-performing designs in vast, constrained search spaces. This is difficult when evaluations are costly, feasible solutions are sparse, parameters are strongly coupled, and physical constraints are strict. Recent AI for AI methods can automatically improve algorithms and optimization procedures. However, general purpose approaches are not designed around scientific priors, physical constraints, and limited evaluation budgets. We introduce ADAPT for Science, a multi-agent framework that treats scientific optimization as two coupled decisions: where to search and how to search. ADAPT uses historical designs to identify promising and diverse initial conditions, progressively concentrates computation on favorable search directions, and evolves the optimization procedure from execution feedback. We evaluate ADAPT on the design of gravitational wave detectors using a differentiable physics simulator and eight unseen detector topologies. Under matched scientific evaluation budgets, ADAPT achieves a mean loss of 0.204 +/- 0.101, reducing loss by 54.9% relative to the best classical optimizer and by 62.2% relative to the…