Agents of Discovery
On the map: LLM agents and tool use → Web, search, and research agents
Abstract (arXiv)
The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning (ML) tools for data analysis has recently proliferated, these tools are typically special-purpose algorithms that rely, for example, on encoded physics knowledge to reach optimal performance. In this work, we investigate a new and orthogonal direction: Using recent progress in large language models (LLMs) to create a team of agents -- instances of LLMs with specific subtasks -- that jointly solve data analysis-based research problems in a way similar to how a human researcher might: by creating code to operate standard tools and libraries (including ML systems) and by building on results of previous iterations. If successful, such agent-based systems could be deployed to automate routine analysis components to counteract the increasing complexity of modern tool chains. To investigate the capabilities of current-generation commercial LLMs, we consider the task of anomaly detection via the publicly available and highly-studied LHC Olympics dataset. Several current models by OpenAI (GPT-4o, o4-mini, GPT-4.1, and GPT-5) are investigated and their stability tested. Overall, we observe the capacity of the agent-based system to solve this data analysis problem. The best agent-created solutions mirror the performance of human state-of-the-art results.
Key facts. Cited by 2 papers in the map (data through 7 Oct 2026). Placed in Web, search, and research agents, one of 16 directions in LLM agents and tool use. Builds on 21 of its 53 references that are in the map. First posted on arXiv 10 Sep 2025.
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21 of 53 references.
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Other references · 20
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- 2023ChemCrow: Augmenting large-language models with chemistry toolscited by 609
- 2022Why do tree-based models still outperform deep learning on tabular data?cited by 198
- 2021A Living Review of Machine Learning for Particle Physicscited by 77
- 2020Anomaly Detection with Density Estimationcited by 71
- 2021Machine Learning in the Search for New Fundamental Physicscited by 50
- 2017Classification without labels: Learning from mixed samples in high energy physicscited by 42
- 2025Transforming Science with Large Language Models: A Survey on AI-assisted Scientific Discovery, Experimentation, Content Generation, and Evaluationcited by 41
8 more
- 2023Machine Learning for Anomaly Detection in Particle Physicscited by 29
- 2023Iterative Translation Refinement with Large Language Modelscited by 27
- 2025Large Physics Models: Towards a collaborative approach with Large Language Models and Foundation Modelscited by 14
- 2020Simulation-Assisted Decorrelation for Resonant Anomaly Detectioncited by 13
- 2024Large Language Models for Human-Machine Collaborative Particle Accelerator Tuning through Natural Languagecited by 9
- 2024Multi3Hate: Multimodal, Multilingual, and Multicultural Hate Speech Detection with Vision-Language Modelscited by 7
- 2025Around the World in 24 Hours: Probing LLM Knowledge of Time and Placecited by 6
- 2025Decision-Making with Deliberation: Meta-reviewing as a Document-grounded Dialoguecited by 3
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Citing papers per year: 2026: 2.
2 papers.
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- 2026Reliable LLM-Generated Programs for High-Energy Physics Experiments through Graph-Grounded Software Knowledge ↗
- 2026From Experimental Limits to Physical Insight: A Retrieval-Augmented Multi-Agent Framework for Interpreting Searches Beyond the Standard Model