From Automation to Autonomy: A Survey on Large Language Models in Scientific Discovery
Tianshi Zheng, Zheye Deng, Hong Ting Tsang, Weiqi Wang, Jiaxin Bai, Zihao Wang, Yangqiu Song
Abstract
Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI collaboration. This survey systematically charts this burgeoning field, placing a central focus on the changing roles and escalating capabilities of LLMs in science. Through the lens of the scientific method, we introduce a foundational three-level taxonomy—Tool, Analyst, and Scientist—to delineate their escalating autonomy and evolving responsibilities within the research lifecycle. We further identify pivotal challenges and future research trajectories such as robotic automation, self-improvement, and ethical governance. Overall, this survey provides a conceptual architecture and strategic foresight to navigate and shape the future of AI-driven scientific discovery, fostering both rapid innovation and responsible advancement.- Anthology ID:
- 2025.emnlp-main.895
- Volume:
- Proceedings of the 2025 Conference on Empirical Methods in Natural Language Processing
- Month:
- November
- Year:
- 2025
- Address:
- Suzhou, China
- Editors:
- Christos Christodoulopoulos, Tanmoy Chakraborty, Carolyn Rose, Violet Peng
- Venue:
- EMNLP
- SIG:
- Publisher:
- Association for Computational Linguistics
- Note:
- Pages:
- 17744–17761
- Language:
- URL:
- https://preview.aclanthology.org/ingest-emnlp/2025.emnlp-main.895/
- DOI:
- Cite (ACL):
- Tianshi Zheng, Zheye Deng, Hong Ting Tsang, Weiqi Wang, Jiaxin Bai, Zihao Wang, and Yangqiu Song. 2025. From Automation to Autonomy: A Survey on Large Language Models in Scientific Discovery. In Proceedings of the 2025 Conference on Empirical Methods in Natural Language Processing, pages 17744–17761, Suzhou, China. Association for Computational Linguistics.
- Cite (Informal):
- From Automation to Autonomy: A Survey on Large Language Models in Scientific Discovery (Zheng et al., EMNLP 2025)
- PDF:
- https://preview.aclanthology.org/ingest-emnlp/2025.emnlp-main.895.pdf