AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning

• URL: http://arxiv.org/abs/2511.07262v1
• Date: Mon, 10 Nov 2025 16:06:33 GMT
• Title: AgenticSciML: Collaborative Multi-Agent Systems for Emergent Discovery in Scientific Machine Learning
• Authors: Qile Jiang, George Karniadakis,
• Abstract summary: AgenticSciML is a collaborative multi-agent system in which over 10 specialized AI agents collaborate to propose, critique, and refine SciML solutions.<n>The framework integrates structured debate, retrieval-augmented method memory, and ensemble-guided evolutionary search.<n>Results show that collaborative reasoning among AI agents can yield emergent methodological innovation.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains an expert-driven research process, requiring extensive experimentation and problem-specific insights. Here we introduce AgenticSciML, a collaborative multi-agent system in which over 10 specialized AI agents collaborate to propose, critique, and refine SciML solutions through structured reasoning and iterative evolution. The framework integrates structured debate, retrieval-augmented method memory, and ensemble-guided evolutionary search, enabling the agents to generate and assess new hypotheses about architectures and optimization procedures. Across physics-informed learning and operator learning tasks, the framework discovers solution methods that outperform single-agent and human-designed baselines by up to four orders of magnitude in error reduction. The agents produce novel strategies -- including adaptive mixture-of-expert architectures, decomposition-based PINNs, and physics-informed operator learning models -- that do not appear explicitly in the curated knowledge base. These results show that collaborative reasoning among AI agents can yield emergent methodological innovation, suggesting a path toward scalable, transparent, and autonomous discovery in scientific computing.

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