AutoMS: Multi-Agent Evolutionary Search for Cross-Physics Inverse Microstructure Design
On the map: LLM agents and tool use → Medical and scientific domain agents
Abstract (arXiv)
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.
Key facts. Cited by 1 paper in the map (data through 14 Oct 2026). Placed in Medical and scientific domain agents, one of 16 directions in LLM agents and tool use. Builds on 29 of its 57 references that are in the map. First posted on arXiv 28 Mar 2026.
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29 of 57 references.
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Other references · 28
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- 2024From Local to Global: A Graph RAG Approach to Query-Focused Summarizationcited by 1,453
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- 2021Deep Generative Models in Engineering Design: A Reviewcited by 105
- 2025From Automation to Autonomy: A Survey on Large Language Models in Scientific Discoverycited by 93
- 2022Diffusion Models Beat GANs on Topology Optimizationcited by 79
- 2023Inverse-design of nonlinear mechanical metamaterials via video denoising diffusion modelscited by 48
16 more
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- 2024MetaOpenFOAM: an LLM-based multi-agent framework for CFDcited by 39
- 2023Denoising diffusion algorithm for inverse design of microstructures with fine-tuned nonlinear material propertiescited by 24
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- 2025PINNsAgent: Automated PDE Surrogation with Large Language Modelscited by 17
- 2025MooseAgent: A LLM Based Multi-agent Framework for Automating Moose Simulationcited by 17
- 2024LLM experiments with simulation: Large Language Model Multi-Agent System for Simulation Model Parametrization in Digital Twinscited by 16
- 2025Exposing Numeracy Gaps: A Benchmark to Evaluate Fundamental Numerical Abilities in Large Language Modelscited by 14
- 2019Microstructure synthesis using style-based generative adversarial networkcited by 8
- 2023Physics simulation capabilities of LLMscited by 6
- 2025MIND: Microstructure INverse Design with Generative Hybrid Neural Representationcited by 4
- 2025ChemHTS: Hierarchical Tool Stacking for Enhancing Chemical Agentscited by 4
- 2024Material Microstructure Design Using VAE-Regression with Multimodal Priorcited by 3
- 2025MetaGen: A DSL, Database, and Benchmark for VLM-Assisted Metamaterial Generationcited by 3
- 2025Inverse Design of Metamaterials with Manufacturing-Guiding Spectrum-to-Structure Conditional Diffusion Modelcited by 2
- 2025PCG-Informed Neural Solvers for High-Resolution Homogenization of Periodic Microstructurescited by 1
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Citing papers per year: 2026: 1.
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