# Emergent autonomous scientific research capabilities of large language models

arXiv: https://arxiv.org/abs/2304.05332 · HTML: https://mlsanity.com/paper/2304.05332/

## Key facts

- Cited by 132 papers in the map (data through 14 Oct 2026).
- Builds on 9 of its 14 references that are in the map.
- First posted on arXiv 11 Apr 2023.

## Builds on (most cited first, 9 of 9)

- [Language Models are Few-Shot Learners](https://mlsanity.com/paper/2005.14165/) (2020)
- [Training language models to follow instructions with human feedback](https://mlsanity.com/paper/2203.02155/) (2022)
- [LLaMA: Open and Efficient Foundation Language Models](https://mlsanity.com/paper/2302.13971/) (2023)
- [PaLM: Scaling Language Modeling with Pathways](https://mlsanity.com/paper/2204.02311/) (2022)
- [Training Compute-Optimal Large Language Models](https://mlsanity.com/paper/2203.15556/) (2022)
- [Fine-Tuning Language Models from Human Preferences](https://mlsanity.com/paper/1909.08593/) (2019)
- [LaMDA: Language Models for Dialog Applications](https://mlsanity.com/paper/2201.08239/) (2022)
- [BioGPT: Generative Pre-trained Transformer for Biomedical Text Generation and Mining](https://mlsanity.com/paper/2210.10341/) (2022)
- [Generative Chemical Transformer: Neural Machine Learning of Molecular Geometric Structures from Chemical Language via Attention](https://mlsanity.com/paper/2103.00213/) (2021)

## Built on by (most cited first, 30 of 132)

- [A Survey on Large Language Model based Autonomous Agents](https://mlsanity.com/paper/2308.11432/) (2023)
- [The Rise and Potential of Large Language Model Based Agents: A Survey](https://mlsanity.com/paper/2309.07864/) (2023)
- [A Comprehensive Overview of Large Language Models](https://mlsanity.com/paper/2307.06435/) (2023)
- [Prompt Injection attack against LLM-integrated Applications](https://mlsanity.com/paper/2306.05499/) (2023)
- [AgentHarm: A Benchmark for Measuring Harmfulness of LLM Agents](https://mlsanity.com/paper/2410.09024/) (2024)
- [Understanding the Effects of RLHF on LLM Generalisation and Diversity](https://mlsanity.com/paper/2310.06452/) (2023)
- [Tool Learning with Foundation Models](https://mlsanity.com/paper/2304.08354/) (2023)
- [Large Language Models Empowered Agent-based Modeling and Simulation: A Survey and Perspectives](https://mlsanity.com/paper/2312.11970/) (2023)
- [What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks](https://mlsanity.com/paper/2305.18365/) (2023)
- [Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models](https://mlsanity.com/paper/2306.08018/) (2023)
- [LLM Agents can Autonomously Exploit One-day Vulnerabilities](https://mlsanity.com/paper/2404.08144/) (2024)
- [LLM Agents can Autonomously Hack Websites](https://mlsanity.com/paper/2402.06664/) (2024)
- [Avalon's Game of Thoughts: Battle Against Deception through Recursive Contemplation](https://mlsanity.com/paper/2310.01320/) (2023)
- [Large Language Models for Automated Open-domain Scientific Hypotheses Discovery](https://mlsanity.com/paper/2309.02726/) (2023)
- [DeepReview: Improving LLM-based Paper Review with Human-like Deep Thinking Process](https://mlsanity.com/paper/2503.08569/) (2025)
- [Frontier AI Regulation: Managing Emerging Risks to Public Safety](https://mlsanity.com/paper/2307.03718/) (2023)
- [AIOS: LLM Agent Operating System](https://mlsanity.com/paper/2403.16971/) (2024)
- [Chain of Ideas: Revolutionizing Research Via Novel Idea Development with LLM Agents](https://mlsanity.com/paper/2410.13185/) (2024)
- [14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon](https://mlsanity.com/paper/2306.06283/) (2023)
- [Use of LLMs for Illicit Purposes: Threats, Prevention Measures, and Vulnerabilities](https://mlsanity.com/paper/2308.12833/) (2023)
- [Visibility into AI Agents](https://mlsanity.com/paper/2401.13138/) (2024)
- [Can GPT-4 Perform Neural Architecture Search?](https://mlsanity.com/paper/2304.10970/) (2023)
- [MedAgent-Pro: Towards Evidence-based Multi-modal Medical Diagnosis via Reasoning Agentic Workflow](https://mlsanity.com/paper/2503.18968/) (2025)
- [Igniting Language Intelligence: The Hitchhiker's Guide From Chain-of-Thought Reasoning to Language Agents](https://mlsanity.com/paper/2311.11797/) (2023)
- [Language models can generate molecules, materials, and protein binding sites directly in three dimensions as XYZ, CIF, and PDB files](https://mlsanity.com/paper/2305.05708/) (2023)
- [Large Language Model Safety: A Holistic Survey](https://mlsanity.com/paper/2412.17686/) (2024)
- [Why Does ChatGPT Fall Short in Providing Truthful Answers?](https://mlsanity.com/paper/2304.10513/) (2023)
- [A Safe Harbor for AI Evaluation and Red Teaming](https://mlsanity.com/paper/2403.04893/) (2024)
- [Large Language Models are Zero Shot Hypothesis Proposers](https://mlsanity.com/paper/2311.05965/) (2023)
- [BioPlanner: Automatic Evaluation of LLMs on Protocol Planning in Biology](https://mlsanity.com/paper/2310.10632/) (2023)

## 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.