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
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Publisher:
Association for Computational Linguistics
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Pages:
17744–17761
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URL:
https://preview.aclanthology.org/ingest-emnlp/2025.emnlp-main.895/
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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)
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