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The rapid advancement of large language models (LLMs) and multimodal foundation models has sparked growing interest in their potential for scientific research. However, scientific intelligence encompasses a broad spectrum of abilities…

Artificial Intelligence · Computer Science 2025-12-30 Yaping Zhang , Qixuan Zhang , Xingquan Zhang , Zhiyuan Chen , Wenwen Zhuang , Yupu Liang , Lu Xiang , Yang Zhao , Jiajun Zhang , Yu Zhou , Chengqing Zong

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Automating scientific discovery requires more than generating papers from ideas. Real research is iterative: hypotheses are challenged from multiple perspectives, experiments fail and inform the next attempt, and lessons accumulate across…

Large language models (LLMs) are increasingly being used for complex research tasks such as literature review, idea generation, and scientific paper analysis, yet their ability to truly understand and process the intricate relationships…

Computation and Language · Computer Science 2025-06-11 Shashidhar Reddy Javaji , Yupeng Cao , Haohang Li , Yangyang Yu , Nikhil Muralidhar , Zining Zhu

Active learning is a machine learning paradigm that aims to improve the performance of a model by strategically selecting and querying unlabeled data. One effective selection strategy is to base it on the model's predictive uncertainty,…

Machine Learning · Computer Science 2024-05-17 Seong Jin Cho , Gwangsu Kim , Junghyun Lee , Jinwoo Shin , Chang D. Yoo

Scientific literature is growing exponentially, creating a critical bottleneck for researchers to efficiently synthesize knowledge. While general-purpose Large Language Models (LLMs) show potential in text processing, they often fail to…

Computation and Language · Computer Science 2025-09-11 Fengyu She , Nan Wang , Hongfei Wu , Ziyi Wan , Jingmian Wang , Chang Wang

There is growing interest in using machine learning (ML) to support clinical diagnosis, but most approaches rely on static, fully observed datasets and fail to reflect the sequential, resource-aware reasoning clinicians use in practice.…

Artificial Intelligence · Computer Science 2025-11-18 Silas Ruhrberg Estévez , Nicolás Astorga , Mihaela van der Schaar

Many contemporary data-driven research efforts in the natural sciences, such as chemistry and materials science, require large-scale, high-performance entity recognition from scientific datasets. Large language models (LLMs) have…

Computation and Language · Computer Science 2025-09-10 Zihan Chen , Lei Shi , Weize Wu , Qiji Zhou , Yue Zhang

With recent Nobel Prizes recognising AI contributions to science, Large Language Models (LLMs) are transforming scientific research by enhancing productivity and reshaping the scientific method. LLMs are now involved in experimental design,…

Hypothetical induction is recognized as the main reasoning type when scientists make observations about the world and try to propose hypotheses to explain those observations. Past research on hypothetical induction is under a constrained…

Computation and Language · Computer Science 2024-06-13 Zonglin Yang , Xinya Du , Junxian Li , Jie Zheng , Soujanya Poria , Erik Cambria

As modern science becomes increasingly data-intensive, the ability to analyze and visualize large-scale, complex datasets is critical to accelerating discovery. However, many domain scientists lack the programming expertise required to…

Software Engineering · Computer Science 2025-12-01 Apu Kumar Chakroborti , Yi Ding , Lipeng Wan

Autonomous robots operating in open environments need the ability to continuously handle tasks that are not covered by predefined local methods. However, existing approaches often rely on repeated large-language-model (LLM) interaction for…

Robotics · Computer Science 2026-04-27 Hong Su

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

Computation and Language · Computer Science 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

Large Language Models (LLMs) are increasingly capable of generating complete applications from natural language instructions, creating new opportunities in science and education. In these domains, interactive scientific demonstrations are…

Software Engineering · Computer Science 2026-05-21 Qiaosheng Chen , Yang Liu , Lei Li , Kai Chen , Qipeng Guo , Gong Cheng , Fei Yuan

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support…

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

Large language models (LLMs) have shown strong knowledge reserves and task-solving capabilities, but still face the challenge of severe hallucination, hindering their practical application. Though scientific theories and rules can…

Computation and Language · Computer Science 2026-04-09 Maotian Ma , Zheni Zeng , Zhenghao Liu , Yukun Yan

We introduce CausaLab, a scalable environment for evaluating interactive causal discovery by LLM agents. Unlike prior evaluations, CausaLab evaluates both whether an agent can solve a problem using causal evidence and whether its answer is…

Artificial Intelligence · Computer Science 2026-05-29 Junlin Yang , Dylan Zhang , Xiangchen Song , Qirun Dai , Xiao Liu , Yuen Chen , Aniket Vashishtha , Jing Shi , Chenhao Tan , Hao Peng

Recently, Large Language Models (LLMs) have witnessed remarkable performance as zero-shot task planners for robotic manipulation tasks. However, the open-loop nature of previous works makes LLM-based planning error-prone and fragile. On the…

Robotics · Computer Science 2025-03-18 Zhi Zheng , Qian Feng , Hang Li , Alois Knoll , Jianxiang Feng