SasAgent : multi-agent artificial intelligence system for small-angle scattering data analysis

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Authors: Lijie Ding, Changwoo Do
Cited by: 1
References: 26

Abstract

We introduce SasAgent , a multi-agent artificial intelligence (AI) system powered by large language models (LLMs) that automates small-angle scattering (SAS) data analysis by using tools from the SasView software and enables user interaction via text input. SasAgent features a coordinator agent that interprets user prompts and delegates tasks to three specialized agents for scattering length density (SLD) calculation, synthetic data generation and experimental data fitting. These agents utilize LLM-friendly tools to execute tasks efficiently. These tools, including the model data tool, retrieval augmented generation documentation tool, BumpsFitting tool and SLD calculator tool, are derived from the SasView Python library. A Gradio -based interface enhances user accessibility. Through diverse examples, we demonstrate SasAgent's ability to interpret complex prompts, calculate SLDs, generate accurate scattering data and fit experimental datasets using the SasView fitting engine. This work showcases the potential of LLM-driven AI systems to streamline scientific workflows and enhance automation in SAS research.

Fields of Study & Subjects

Machine Learning in Materials Science Enzyme Structure and Function Advanced Electron Microscopy Techniques and Applications

Publication details

Journal / source
Journal of Applied Crystallography
Publisher
International Union of Crystallography (IUCr)
Volume
59
Issue
2
Pages
578–585
Publication date
28 March 2026