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AutoMS: Multi-Agent Evolutionary Search for Cross-Physics Inverse Microstructure Design

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Designing microstructures with coupled cross-physics objectives is a fundamental challenge where traditional topology optimization is often computationally prohibitive and deep generative models frequently suffer from physical hallucinations. We introduce AutoMS, a multi-agent neuro-symbolic framework that reformulates inverse design as an LLM-driven evolutionary search. AutoMS leverages LLMs as semantic navigators to decompose complex requirements and coordinate agent workflows, while a novel Simulation-Aware Evolutionary Search (SAES) mechanism handles low-level numerical optimization via local gradient approximation and directed parameter updates. This architecture achieves a state-of-the-art 83.8% success rate on 17 diverse cross-physics tasks, significantly outperforming both traditional evolutionary algorithms and existing agentic baselines. By decoupling open-ended semantic orchestration from simulation-grounded numerical search, AutoMS provides a robust pathway for navigating complex physical landscapes that remain intractable for standard generative or purely linguistic approaches.

Zhenyuan Zhao, Yu Xing, Tianyang Xue, Lingxin Cao, Xin Yan, Lin Lu• 2026

Related benchmarks

TaskDatasetResultRank
Cross-Physics Inverse Microstructure Design17 benchmark tasks
SR83.8
3
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