mlsanityData to 7 Oct 2026

Emergent autonomous scientific research capabilities of large language models

arXiv 2304.05332 ↗First posted 11 Apr 2023physics.chem-ph cs.CLcited by 127

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Cited by 49 in LLM agents and tool use, but placed by its own abstract, which didn’t fit.

Abstract (arXiv)

Transformer-based large language models are rapidly advancing in the field of machine learning research, with applications spanning natural language, biology, chemistry, and computer programming. Extreme scaling and reinforcement learning from human feedback have significantly improved the quality of generated text, enabling these models to perform various tasks and reason about their choices. In this paper, we present an Intelligent Agent system that combines multiple large language models for autonomous design, planning, and execution of scientific experiments. We showcase the Agent's scientific research capabilities with three distinct examples, with the most complex being the successful performance of catalyzed cross-coupling reactions. Finally, we discuss the safety implications of such systems and propose measures to prevent their misuse.

Key facts. Cited by 127 papers in the map (data through 7 Oct 2026). Builds on 9 of its 14 references that are in the map. First posted on arXiv 11 Apr 2023.

Builds on

9 of 14 references.

References · 9

  1. 2020Language Models are Few-Shot Learnerscited by 32,199
  2. 2022Training language models to follow instructions with human feedbackcited by 15,712
  3. 2023LLaMA: Open and Efficient Foundation Language Modelscited by 13,958
  4. 2022PaLM: Scaling Language Modeling with Pathwayscited by 5,304
  5. 2022Training Compute-Optimal Large Language Modelscited by 2,927
  6. 2019Fine-Tuning Language Models from Human Preferencescited by 2,124
  7. 2022LaMDA: Language Models for Dialog Applicationscited by 1,218
  8. 2022BioGPT: Generative Pre-trained Transformer for Biomedical Text Generation and Miningcited by 531
  9. 2021Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attentioncited by 20

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Cited by year (2026 to 7 Oct)

Citing papers per year: 2023: 39; 2024: 30; 2025: 33; 2026: 25.

127 papers.

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  1. 2023A Survey on Large Language Model based Autonomous Agentscited by 2,203
  2. 2023The Rise and Potential of Large Language Model Based Agents: A Surveycited by 1,422
  3. 2023A Comprehensive Overview of Large Language Modelscited by 639
  4. 2023Prompt Injection attack against LLM-integrated Applicationscited by 568
  5. 2024AgentHarm: A Benchmark for Measuring Harmfulness of LLM Agentscited by 406
  6. 2023Understanding the Effects of RLHF on LLM Generalisation and Diversitycited by 386
  7. 2023Tool Learning with Foundation Modelscited by 302
  8. 2023Large Language Models Empowered Agent-based Modeling and Simulation: A Survey and Perspectivescited by 253
  9. 2023What can Large Language Models do in chemistry? A comprehensive benchmark on eight taskscited by 179
  10. 2023Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Modelscited by 131
  11. 2024LLM Agents can Autonomously Exploit One-day Vulnerabilitiescited by 125
  12. 2024LLM Agents can Autonomously Hack Websitescited by 108
38 more
  1. 2023Avalon's Game of Thoughts: Battle Against Deception through Recursive Contemplationcited by 102
  2. 2023Large Language Models for Automated Open-domain Scientific Hypotheses Discoverycited by 100
  3. 2025DeepReview: Improving LLM-based Paper Review with Human-like Deep Thinking Processcited by 97
  4. 2023Frontier AI Regulation: Managing Emerging Risks to Public Safetycited by 95
  5. 2024AIOS: LLM Agent Operating Systemcited by 94
  6. 2024Chain of Ideas: Revolutionizing Research Via Novel Idea Development with LLM Agentscited by 94
  7. 202314 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathoncited by 85
  8. 2024Visibility into AI Agentscited by 77
  9. 2023Use of LLMs for Illicit Purposes: Threats, Prevention Measures, and Vulnerabilitiescited by 76
  10. 2023Can GPT-4 Perform Neural Architecture Search?cited by 74
  11. 2023Igniting Language Intelligence: The Hitchhiker's Guide From Chain-of-Thought Reasoning to Language Agentscited by 72
  12. 2025MedAgent-Pro: Towards Evidence-based Multi-modal Medical Diagnosis via Reasoning Agentic Workflowcited by 71
  13. 2023Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB filescited by 59
  14. 2023Why Does ChatGPT Fall Short in Providing Truthful Answers?cited by 54
  15. 2024A Safe Harbor for AI Evaluation and Red Teamingcited by 46
  16. 2023Large Language Models are Zero Shot Hypothesis Proposerscited by 45
  17. 2023BioPlanner: Automatic Evaluation of LLMs on Protocol Planning in Biologycited by 42
  18. 2023Can large language models democratize access to dual-use biotechnology?cited by 33
  19. 2024Large Language Models as Biomedical Hypothesis Generators: A Comprehensive Evaluationcited by 33
  20. 2024ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedbackcited by 32
  21. 2024CACTUS: Chemistry Agent Connecting Tool-Usage to Sciencecited by 32
  22. 2023Open-Sourcing Highly Capable Foundation Models: An evaluation of risks, benefits, and alternative methods for pursuing open-source objectivescited by 31
  23. 2024How Far Are We From AGI: Are LLMs All We Need?cited by 31
  24. 2025LLM-Powered GUI Agents in Phone Automation: Surveying Progress and Prospectscited by 31
  25. 2023ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedbackcited by 30
  26. 2023An In-depth Survey of Large Language Model-based Artificial Intelligence Agentscited by 30
  27. 2024Exploring Autonomous Agents through the Lens of Large Language Models: A Reviewcited by 30
  28. 2023AI capabilities can be significantly improved without expensive retrainingcited by 28
  29. 2024AgentLens: Visual Analysis for Agent Behaviors in LLM-based Autonomous Systemscited by 23
  30. 2026AutoResearchClaw: Self-Reinforcing Autonomous Research with Human-AI Collaborationcited by 23
  31. 2023HoneyBee: Progressive Instruction Finetuning of Large Language Models for Materials Sciencecited by 22
  32. 2024STRIDE: A Tool-Assisted LLM Agent Framework for Strategic and Interactive Decision-Makingcited by 22
  33. 2023Generative Agent-Based Modeling: Unveiling Social System Dynamics through Coupling Mechanistic Models with Generative Artificial Intelligencecited by 19
  34. 2024LLM-3D Print: Large Language Models To Monitor and Control 3D Printingcited by 18
  35. 2025A Survey on Remote Sensing Foundation Models: From Vision to Multimodalitycited by 18
  36. 2024Quantum Many-Body Physics Calculations with Large Language Modelscited by 17
  37. 2023Why Can Large Language Models Generate Correct Chain-of-Thoughts?cited by 16
  38. 2024Efficient Non-Parametric Uncertainty Quantification for Black-Box Large Language Models and Decision Planningcited by 16

50 most cited of 127 All 127 (JSON)

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