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Reducing hallucination of Large Language Models (LLMs) is imperative for use in the sciences, where reliability and reproducibility are crucial. However, LLMs inherently lack long-term memory, making it a nontrivial, ad hoc, and inevitably…

Computation and Language · Computer Science 2024-10-11 Yuan Chiang , Elvis Hsieh , Chia-Hong Chou , Janosh Riebesell

With the emergence of advanced reasoning models like OpenAI o3 and DeepSeek-R1, large language models (LLMs) have demonstrated remarkable reasoning capabilities. However, their ability to perform rigorous logical reasoning remains an open…

Artificial Intelligence · Computer Science 2025-02-14 Hanmeng Liu , Zhizhang Fu , Mengru Ding , Ruoxi Ning , Chaoli Zhang , Xiaozhang Liu , Yue Zhang

The emergence of reasoning models and their integration into practical AI chat bots has led to breakthroughs in solving advanced math, deep search, and extractive question answering problems that requires a complex and multi-step thought…

Understanding complex biomolecular mechanisms requires multi-step reasoning across molecular interactions, signaling cascades, and metabolic pathways. While large language models(LLMs) show promise in such tasks, their application to…

Artificial Intelligence · Computer Science 2025-11-12 Tianwen Lyu , Xiang Zhuang , Keyan Ding , Xinzhe Cao , Lei Liang , Wei Zhao , Qiang Zhang , Huajun Chen

While logical reasoning evaluation of Large Language Models (LLMs) has attracted significant attention, existing benchmarks predominantly rely on multiple-choice formats that are vulnerable to random guessing, leading to overestimated…

Computation and Language · Computer Science 2025-02-25 Qin Zhu , Fei Huang , Runyu Peng , Keming Lu , Bowen Yu , Qinyuan Cheng , Xipeng Qiu , Xuanjing Huang , Junyang Lin

Large Language Models (LLMs) are widely used across various scenarios due to their exceptional reasoning capabilities and natural language understanding. While LLMs demonstrate strong performance in tasks involving mathematics and coding,…

Artificial Intelligence · Computer Science 2025-06-03 Xinyi Liu , Lipeng Ma , Yixuan Li , Weidong Yang , Qingyuan Zhou , Jiayi Song , Shuhao Li , Ben Fei

Biomedical reasoning often requires traversing interconnected relationships across entities such as drugs, diseases, and proteins. Despite the increasing prominence of large language models (LLMs), existing benchmarks lack the ability to…

Computation and Language · Computer Science 2025-06-10 Yunsoo Kim , Yusuf Abdulle , Honghan Wu

Language has long been conceived as an essential tool for human reasoning. The breakthrough of Large Language Models (LLMs) has sparked significant research interest in leveraging these models to tackle complex reasoning tasks. Researchers…

Large language models (LLMs) demonstrate strong reasoning abilities when prompted to generate chain-of-thought (CoT) explanations alongside answers. However, previous research on evaluating LLMs has solely focused on answer accuracy,…

Computation and Language · Computer Science 2024-06-21 Minh-Vuong Nguyen , Linhao Luo , Fatemeh Shiri , Dinh Phung , Yuan-Fang Li , Thuy-Trang Vu , Gholamreza Haffari

The capability of large language models to handle long-context information is crucial across various real-world applications. Existing evaluation methods often rely either on real-world long texts, making it difficult to exclude the…

Computation and Language · Computer Science 2025-09-18 Mo Li , Songyang Zhang , Taolin Zhang , Haodong Duan , Yunxin Liu , Kai Chen

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel…

Artificial Intelligence · Computer Science 2023-11-07 Henry W. Sprueill , Carl Edwards , Mariefel V. Olarte , Udishnu Sanyal , Heng Ji , Sutanay Choudhury

While Large Language Models (LLMs) demonstrate remarkable proficiency in semantic understanding, they often struggle to ensure structural consistency and reasoning reliability in complex decision-making tasks that demand rigorous logic.…

Artificial Intelligence · Computer Science 2026-01-26 Hongjia Wu , Shuai Zhou , Hongxin Zhang , Wei Chen

Recent Large Reasoning Models (LRMs), such as DeepSeek-R1 and OpenAI o1, have demonstrated strong performance gains by scaling up the length of Chain-of-Thought (CoT) reasoning during inference. However, a growing concern lies in their…

Multi-modal Large Language Models (MLLMs) are increasingly prominent in the field of artificial intelligence. These models not only excel in traditional vision-language tasks but also demonstrate impressive performance in contemporary…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Xiaotian Han , Quanzeng You , Yongfei Liu , Wentao Chen , Huangjie Zheng , Khalil Mrini , Xudong Lin , Yiqi Wang , Bohan Zhai , Jianbo Yuan , Heng Wang , Hongxia Yang

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

We investigate the ability of language models to perform compositional reasoning tasks where the overall solution depends on correctly composing the answers to sub-problems. We measure how often models can correctly answer all sub-problems…

Computation and Language · Computer Science 2023-10-19 Ofir Press , Muru Zhang , Sewon Min , Ludwig Schmidt , Noah A. Smith , Mike Lewis

Large language models (LLMs) have demonstrated remarkable success across a wide range of tasks; however, they still encounter challenges in reasoning tasks that require understanding and inferring relationships between distinct pieces of…

Computation and Language · Computer Science 2025-01-15 Haoyu Han , Yaochen Xie , Hui Liu , Xianfeng Tang , Sreyashi Nag , William Headden , Hui Liu , Yang Li , Chen Luo , Shuiwang Ji , Qi He , Jiliang Tang

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

While Large Language Models (LLMs) have demonstrated advanced reasoning capabilities, their comprehensive evaluation in general Chinese-language contexts remains understudied. To bridge this gap, we propose Chinese Commonsense Multi-hop…

Computation and Language · Computer Science 2025-10-13 Wangjie You , Xusheng Wang , Xing Wang , Wenxiang Jiao , Chao Feng , Juntao Li , Min Zhang

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller