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Large language models (LLMs) have demonstrated exceptional capabilities in general domains, yet their application in highly specialized and culturally-rich fields like Traditional Chinese Medicine (TCM) requires rigorous and nuanced…

Computation and Language · Computer Science 2025-11-18 Tianai Huang , Jiayuan Chen , Lu Lu , Pengcheng Chen , Tianbin Li , Bing Han , Wenchao Tang , Jie Xu , Ming Li

Scientific discovery plays a pivotal role in advancing human society, and recent progress in large language models (LLMs) suggests their potential to accelerate this process. However, it remains unclear whether LLMs can autonomously…

Computation and Language · Computer Science 2025-10-28 Zonglin Yang , Wanhao Liu , Ben Gao , Tong Xie , Yuqiang Li , Wanli Ouyang , Soujanya Poria , Erik Cambria , Dongzhan Zhou

Large language models (LLMs) have recently demonstrated promising capabilities in chemistry tasks while still facing challenges due to outdated pretraining knowledge and the difficulty of incorporating specialized chemical expertise. To…

Machine Learning · Computer Science 2025-06-13 Mengsong Wu , YaFei Wang , Yidong Ming , Yuqi An , Yuwei Wan , Wenliang Chen , Binbin Lin , Yuqiang Li , Tong Xie , Dongzhan Zhou

Critical appraisal of scientific literature is an essential skill in the biomedical field. While large language models (LLMs) can offer promising support in this task, their reliability remains limited, particularly for critical reasoning…

Computation and Language · Computer Science 2026-03-05 Doria Bonzi , Alexandre Guiggi , Frédéric Béchet , Carlos Ramisch , Benoit Favre

Multimodal scientific reasoning remains a significant challenge for large language models (LLMs), particularly in chemistry, where problem-solving relies on symbolic diagrams, molecular structures, and structured visual data. Here, we…

Computation and Language · Computer Science 2025-12-18 Yiming Cui , Xin Yao , Yuxuan Qin , Xin Li , Shijin Wang , Guoping Hu

Chemical synthesis, as a foundational methodology in the creation of transformative molecules, exerts substantial influence across diverse sectors from life sciences to materials and energy. Current chemical synthesis practices emphasize…

Organic reaction mechanisms are the stepwise elementary reactions by which reactants form intermediates and products, and are fundamental to understanding chemical reactivity and designing new molecules and reactions. Although large…

Artificial Intelligence · Computer Science 2026-05-05 Ruiling Xu , Yifan Zhang , Qingyun Wang , Carl Edwards , Heng Ji

Recent advancements in Large Language Models (LLMs) have demonstrated sophisticated capabilities, including the ability to process and comprehend extended contexts. These emergent capabilities necessitate rigorous evaluation methods to…

Recent advancements in language models have started a new era of superior information retrieval and content generation, with embedding models playing an important role in optimizing data representation efficiency and performance. While…

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

Large language models (LLM) have achieved remarkable performance on various NLP tasks and are augmented by tools for broader applications. Yet, how to evaluate and analyze the tool-utilization capability of LLMs is still under-explored. In…

Computation and Language · Computer Science 2024-01-17 Zehui Chen , Weihua Du , Wenwei Zhang , Kuikun Liu , Jiangning Liu , Miao Zheng , Jingming Zhuo , Songyang Zhang , Dahua Lin , Kai Chen , Feng Zhao

Penetration testing is essential for assessing and strengthening system security against real-world threats, yet traditional workflows remain highly manual, expertise-intensive, and difficult to scale. Although recent advances in Large…

Software Engineering · Computer Science 2025-12-17 Ruozhao Yang , Mingfei Cheng , Gelei Deng , Tianwei Zhang , Junjie Wang , Xiaofei Xie

Large Language Models (LLMs) excel on general-purpose NLP benchmarks, yet their capabilities in specialized domains remain underexplored. In e-commerce, existing evaluations-such as EcomInstruct, ChineseEcomQA, eCeLLM, and Shopping…

Artificial Intelligence · Computer Science 2025-10-24 Shuyi Xie , Ziqin Liew , Hailing Zhang , Haibo Zhang , Ling Hu , Zhiqiang Zhou , Shuman Liu , Anxiang Zeng

Large Language Models (LLMs) have become increasingly capable as tool-using agents, with benchmarks spanning diverse general agentic tasks. Yet rigorous evaluation of scientific tool use remains limited. In chemistry, recent agents can plan…

Artificial Intelligence · Computer Science 2026-05-11 Yuyang Wu , Yue Huang , Shuaike Shen , Xujian Wang , Shuhao Zhang , Qiyao Xue , Weichen Liu , Runtian Gao , Jian Ma , Xiangliang Zhang , Olexandr Isayev

In the agricultural domain, the deployment of large language models (LLMs) is hindered by the lack of training data and evaluation benchmarks. To mitigate this issue, we propose AgriEval, the first comprehensive Chinese agricultural…

Computation and Language · Computer Science 2025-07-30 Lian Yan , Haotian Wang , Chen Tang , Haifeng Liu , Tianyang Sun , Liangliang Liu , Yi Guan , Jingchi Jiang

New NLP benchmarks are urgently needed to align with the rapid development of large language models (LLMs). We present C-Eval, the first comprehensive Chinese evaluation suite designed to assess advanced knowledge and reasoning abilities of…

Computation and Language · Computer Science 2023-11-07 Yuzhen Huang , Yuzhuo Bai , Zhihao Zhu , Junlei Zhang , Jinghan Zhang , Tangjun Su , Junteng Liu , Chuancheng Lv , Yikai Zhang , Jiayi Lei , Yao Fu , Maosong Sun , Junxian He

Developing Large Language Models (LLMs) with robust long-context capabilities has been the recent research focus, resulting in the emergence of long-context LLMs proficient in Chinese. However, the evaluation of these models remains…

Computation and Language · Computer Science 2024-10-17 Zexuan Qiu , Jingjing Li , Shijue Huang , Xiaoqi Jiao , Wanjun Zhong , Irwin King

While Vision Language Models (VLMs) have demonstrated remarkable capabilities in general visual understanding, their application in the chemical domain has been limited, with previous works predominantly focusing on text and thus…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Xuanle Zhao , Shuxin Zeng , Xinyuan Cai , Xiang Cheng , Duzhen Zhang , Xiuyi Chen , Bo Xu

Evaluating Large Language Models (LLMs) in the mental health domain poses distinct challenged from other domains, given the subtle and highly subjective nature of symptoms that exhibit significant variability among individuals. This paper…

Computation and Language · Computer Science 2024-06-04 Haoan Jin , Siyuan Chen , Dilawaier Dilixiati , Yewei Jiang , Mengyue Wu , Kenny Q. Zhu