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Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling…

Computation and Language · Computer Science 2025-01-14 Xiangru Tang , Tianyu Hu , Muyang Ye , Yanjun Shao , Xunjian Yin , Siru Ouyang , Wangchunshu Zhou , Pan Lu , Zhuosheng Zhang , Yilun Zhao , Arman Cohan , Mark Gerstein

Capturing human learning behavior based on deep learning methods has become a major research focus in both psychology and intelligent systems. Recent approaches rely on controlled experiments or rule-based models to explore cognitive…

Artificial Intelligence · Computer Science 2025-08-08 Yu Yuan , Lili Zhao , Wei Chen , Guangting Zheng , Kai Zhang , Mengdi Zhang , Qi Liu

Large language models (LLMs) serve as an active and promising field of generative artificial intelligence and have demonstrated abilities to perform complex tasks in multiple domains, including mathematical and scientific reasoning. In this…

Artificial Intelligence · Computer Science 2026-03-03 Ao Cheng , Lei Zhang , Guowei He

Understanding and reasoning on the large-scale scientific literature is a crucial touchstone for large language model (LLM) based agents. However, existing works are mainly restricted to tool-free tasks within single papers, largely due to…

Artificial Intelligence · Computer Science 2026-02-02 Daoyu Wang , Mingyue Cheng , Shuo Yu , Zirui Liu , Ze Guo , Xin Li , Qi Liu

The transition from optical identification of 2D quantum materials to practical device fabrication requires dynamic reasoning beyond the detection accuracy. While recent domain-specific Multimodal Large Language Models (MLLMs) successfully…

Computer Vision and Pattern Recognition · Computer Science 2026-03-19 Sankalp Pandey , Xuan-Bac Nguyen , Hoang-Quan Nguyen , Tim Faltermeier , Nicholas Borys , Hugh Churchill , Khoa Luu

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g.,…

Databases · Computer Science 2026-03-11 Yue Wua , Tianhao Su , Rui Hu , Mingchuan Zhao , Shunbo Hu , Deng Pan , Jizhong Huang

Large Language Models (LLMs) have been successful in mathematical reasoning tasks such as formal theorem proving when integrated with interactive proof assistants like Lean. Existing approaches involve training or fine-tuning an LLM on a…

Machine Learning · Computer Science 2025-03-07 Adarsh Kumarappan , Mo Tiwari , Peiyang Song , Robert Joseph George , Chaowei Xiao , Anima Anandkumar

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

Advances in LLMs have produced agents with knowledge and operational capabilities comparable to human scientists, suggesting potential to assist, accelerate, and automate research. However, existing studies mainly evaluate such systems on…

The advancement in large language models (LLMs) and large vision models has fueled the rapid progress in multi-modal vision-language reasoning capabilities. However, existing vision-language models (VLMs) remain challenged by compositional…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Yichang Xu , Gaowen Liu , Ramana Rao Kompella , Sihao Hu , Fatih Ilhan , Selim Furkan Tekin , Zachary Yahn , Ling Liu

There are two main barriers to using large language models (LLMs) in clinical reasoning. Firstly, while LLMs exhibit significant promise in Natural Language Processing (NLP) tasks, their performance in complex reasoning and planning falls…

Artificial Intelligence · Computer Science 2024-12-31 Shengxin Hong , Liang Xiao , Xin Zhang , Jianxia Chen

Navigating the complexities of physics reasoning has long been a difficult task for Large Language Models (LLMs), requiring a synthesis of profound conceptual understanding and adept problem-solving techniques. In this study, we investigate…

Computation and Language · Computer Science 2025-07-04 Nifu Dan , Yujun Cai , Yiwei Wang

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Agentic AI has significantly extended the capabilities of large language models (LLMs) by enabling complex reasoning and tool use. However, most existing frameworks are tailored to domains such as mathematics, coding, or web automation, and…

Artificial Intelligence · Computer Science 2025-10-15 Md Hasebul Hasan , Mahir Labib Dihan , Tanzima Hashem , Mohammed Eunus Ali , Md Rizwan Parvez

Large Language Models (LLMs) achieve competitive results compared to human experts in medical examinations. However, it remains a challenge to apply LLMs to complex clinical decision-making, which requires a deep understanding of medical…

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Recent progress in large language models (LLMs) has enabled substantial advances in solving mathematical problems. However, existing benchmarks often fail to reflect the complexity of real-world problems, which demand open-ended,…

Artificial Intelligence · Computer Science 2025-05-22 Cheng Qian , Hongyi Du , Hongru Wang , Xiusi Chen , Yuji Zhang , Avirup Sil , Chengxiang Zhai , Kathleen McKeown , Heng Ji

A wide range of real-world applications is characterized by their symbolic nature, necessitating a strong capability for symbolic reasoning. This paper investigates the potential application of Large Language Models (LLMs) as symbolic…

Computation and Language · Computer Science 2024-01-18 Meng Fang , Shilong Deng , Yudi Zhang , Zijing Shi , Ling Chen , Mykola Pechenizkiy , Jun Wang

Entity alignment (EA) aims to identify entities across different knowledge graphs (KGs) that refer to the same real-world object and plays a critical role in knowledge fusion and integration. Traditional EA methods mainly rely on knowledge…

Information Retrieval · Computer Science 2026-04-14 Yixuan Nan , Xixun Lin , Yanmin Shang , Ge Zhang , Zheng Fang , Fang Fang , Yanan Cao

We show that multi-agent systems guided by vision-language models (VLMs) improve end-to-end autonomous scientific discovery. By treating plots as verifiable checkpoints, a VLM-as-a-judge evaluates figures against dynamically generated…

Computation and Language · Computer Science 2025-11-19 Kahaan Gandhi , Boris Bolliet , Inigo Zubeldia