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Related papers: LLM-AutoSciLab: Closed-Loop Scientific Discovery v…

200 papers

Scientific innovation relies on detailed workflows, which include critical steps such as analyzing literature, generating ideas, validating these ideas, interpreting results, and inspiring follow-up research. However, scientific…

Computation and Language · Computer Science 2024-06-11 Xingjian Zhang , Yutong Xie , Jin Huang , Jinge Ma , Zhaoying Pan , Qijia Liu , Ziyang Xiong , Tolga Ergen , Dongsub Shim , Honglak Lee , Qiaozhu Mei

LLMs are increasingly deployed in autonomous laboratories, under the assumption that their domain priors and reasoning over iterative feedback let them converge on good designs in fewer iterations than feedback-only baselines. Current…

Machine Learning · Computer Science 2026-05-18 Marilyn Zhang , Tianfeng Chen , Fabián Barzuna , Ankita Rathod , Mark E. Whiting

Trustworthy language models should provide both correct and verifiable answers. However, citations generated directly by standalone LLMs are often unreliable. As a result, current systems insert citations by querying an external retriever…

Artificial Intelligence · Computer Science 2026-04-07 Yukun Huang , Sanxing Chen , Jian Pei , Manzil Zaheer , Bhuwan Dhingra

Evaluating large language models (LLMs) on question answering often relies on static benchmarks that reward memorization and understate the role of retrieval, failing to capture the dynamic nature of world knowledge. We present…

Computation and Language · Computer Science 2025-11-07 Heng Zhou , Ao Yu , Yuchen Fan , Jianing Shi , Li Kang , Hejia Geng , Yongting Zhang , Yutao Fan , Yuhao Wu , Tiancheng He , Yiran Qin , Lei Bai , Zhenfei Yin

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to…

Machine Learning · Computer Science 2025-10-16 Kanishk Gandhi , Michael Y. Li , Lyle Goodyear , Agam Bhatia , Louise Li , Aditi Bhaskar , Mohammed Zaman , Noah D. Goodman

Automated methods for discovering mechanistic simulator models from observational data offer a promising path toward accelerating scientific progress. Such methods often take the form of agentic-style iterative workflows that repeatedly…

Machine Learning · Computer Science 2026-02-23 Stefan Wahl , Raphaela Schenk , Ali Farnoud , Jakob H. Macke , Daniel Gedon

Scientific reasoning poses an excessive challenge for even the most advanced Large Language Models (LLMs). To make this task more practical and solvable for LLMs, we introduce a new task setting named tool-augmented scientific reasoning.…

Computation and Language · Computer Science 2024-02-22 Yubo Ma , Zhibin Gou , Junheng Hao , Ruochen Xu , Shuohang Wang , Liangming Pan , Yujiu Yang , Yixin Cao , Aixin Sun , Hany Awadalla , Weizhu Chen

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Large Language Models (LLMs) drive scientific question-answering on modern search engines, yet their evaluation robustness remains underexplored. We introduce YESciEval, an open-source framework that combines fine-grained rubric-based…

Computation and Language · Computer Science 2025-05-30 Jennifer D'Souza , Hamed Babaei Giglou , Quentin Münch

As networking systems become increasingly complex, achieving disruptive innovation grows more challenging. At the same time, recent progress in Large Language Models (LLMs) has shown strong potential for scientific hypothesis formation and…

Networking and Internet Architecture · Computer Science 2026-03-30 Mengrui Zhang , Bang Huang , Yunxin Xu , Haiying Huang , Luxi Zhao , Mochun Long , Qingyu Song , Qiao Xiang , Xue Liu , Jiwu Shu

The paper surveys automated scientific discovery, from equation discovery and symbolic regression to autonomous discovery systems and agents. It discusses the individual approaches from a "big picture" perspective and in context, but also…

Artificial Intelligence · Computer Science 2026-05-01 Stefan Kramer , Mattia Cerrato , Jannis Brugger , Sašo Džeroski , Ross King

This project investigates the efficacy of Large Language Models (LLMs) in understanding and extracting scientific knowledge across specific domains and to create a deep learning framework: Knowledge AI. As a part of this framework, we…

Computation and Language · Computer Science 2024-08-12 Balaji Muralidharan , Hayden Beadles , Reza Marzban , Kalyan Sashank Mupparaju

Large language models (LLMs) show remarkable potential in scientific hypothesis discovery. However, existing approaches face two critical limitations: they treat divergent exploratory ideation and convergent fine-grained refinement as…

Computation and Language · Computer Science 2026-05-29 Hongran An , Zonglin Yang

Modern AI algorithms require labeled data. In real world, majority of data are unlabeled. Labeling the data are costly. this is particularly true for some areas requiring special skills, such as reading radiology images by physicians. To…

Machine Learning · Statistics 2026-03-31 Yiran Huang , Jian-Feng Yang , Haoda Fu

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Self-driving laboratories (SDLs) close the loop between experiment design, automated execution, and data-driven decision making, and they provide a demanding testbed for agentic AI under expensive actions, noisy and delayed feedback, strict…

Artificial Intelligence · Computer Science 2026-01-27 Xuanzhou Chen , Audrey Wang , Stanley Yin , Hanyang Jiang , Dong Zhang

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are…

Artificial Intelligence · Computer Science 2026-05-01 Shuxing Yang , Fujia Chen , Rui Zhao , Junyao Wu , Yize Wang , Haiyao Luo , Ning Han , Qiaolu Chen , Yuze Hu , Wenhao Li , Mingzhu Li , Hongsheng Chen , Yihao Yang

As AI promises to accelerate scientific discovery, it remains unclear whether fully AI-driven research is possible and whether it can adhere to key scientific values, such as transparency, traceability and verifiability. Mimicking human…

Other Quantitative Biology · Quantitative Biology 2024-04-30 Tal Ifargan , Lukas Hafner , Maor Kern , Ori Alcalay , Roy Kishony

Scientific discovery is an extended process of ideation--surveying prior work, forming hypotheses, and refining reasoning--yet existing approaches treat this phase as a brief preamble despite its central role in research. We introduce…

Computation and Language · Computer Science 2026-05-04 James Mooney , Zae Myung Kim , Young-Jun Lee , Dongyeop Kang
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