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The rapid growth of AI for Science (AI4S) has underscored the significance of scientific datasets, leading to the establishment of numerous national scientific data centers and sharing platforms. Despite this progress, efficiently promoting…

Large Language Models (LLMs) have demonstrated great potential in complex reasoning tasks, yet they fall short when tackling more sophisticated challenges, especially when interacting with environments through generating executable actions.…

计算与语言 · 计算机科学 2025-02-25 Yuqi Zhu , Shuofei Qiao , Yixin Ou , Shumin Deng , Shiwei Lyu , Yue Shen , Lei Liang , Jinjie Gu , Huajun Chen , Ningyu Zhang

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

人工智能 · 计算机科学 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

Understanding and predicting the properties of inorganic materials is crucial for accelerating advancements in materials science and driving applications in energy, electronics, and beyond. Integrating material structure data with…

Empowered by large language models (LLMs), intelligent agents have become a popular paradigm for interacting with open environments to facilitate AI deployment. However, hallucinations generated by LLMs-where outputs are inconsistent with…

机器学习 · 计算机科学 2025-07-23 Siyuan Liu , Wenjing Liu , Zhiwei Xu , Xin Wang , Bo Chen , Tao Li

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…

社会与信息网络 · 计算机科学 2025-10-15 Bingqiao Gu , Jiale Zeng , Xingqin Qi , Dong Li

Recent advancements in multimodal large language models (MLLMs) have shown unprecedented capabilities in advancing various vision-language tasks. However, MLLMs face significant challenges with hallucinations, and misleading outputs that do…

计算机视觉与模式识别 · 计算机科学 2024-12-24 Shengqiong Wu , Hao Fei , Liangming Pan , William Yang Wang , Shuicheng Yan , Tat-Seng Chua

Large Language Models (LLMs) now excel at generative skills and can create content at impeccable speeds. However, they are imperfect and still make various mistakes. In a Computer Science education context, as these models are widely…

人机交互 · 计算机科学 2024-10-11 Qianou Ma , Hua Shen , Kenneth Koedinger , Tongshuang Wu

The rapid evolution of artificial intelligence in drug discovery encounters challenges with generalization and extensive training, yet Large Language Models (LLMs) offer promise in reshaping interactions with complex molecular data. Our…

生物大分子 · 定量生物学 2024-12-20 He Cao , Zijing Liu , Xingyu Lu , Yuan Yao , Yu Li

As multimodal language models play an increasingly important role in scientific research, materials science offers a critical testbed due to its interdisciplinary, multimodal, and application-driven nature. However, existing materials…

人工智能 · 计算机科学 2026-05-29 Wanhao Liu , Jiaqing Xie , Qian Tan , Weida Wang , Jue Wang , Ran Sun , Zhuo Yang , Wanli Ouyang , Lei Bai , Tianfan Fu , Lu Chen , Xin Chen , Yuqiang Li

Large Language Models (LLMs) have revolutionized Natural Language Processing but exhibit limitations, particularly in autonomously addressing novel challenges such as reasoning and problem-solving. Traditional techniques like…

多智能体系统 · 计算机科学 2024-01-03 Sumedh Rasal

This paper surveys the development of large language model (LLM)-based agents for question answering (QA). Traditional agents face significant limitations, including substantial data requirements and difficulty in generalizing to new…

计算与语言 · 计算机科学 2025-03-26 Murong Yue

We present an autonomous large language model (LLM) agent for end-to-end, data-driven materials theory development. The model can choose an equation form, generate and run its own code, and test how well the theory matches the data without…

人工智能 · 计算机科学 2026-04-23 Samuel Onimpa Alfred , Veera Sundararaghavan

Autonomous science agents built on large language models (LLMs) are increasingly used to generate hypotheses, design experiments, and produce reports. However, prior work mainly targets open-ended scientific problems with subjective outputs…

计算与语言 · 计算机科学 2026-03-24 Tianshu Zhang , Huan Sun

While large language models (LLMs) have shown promise in the table question answering (TQA) task through prompt engineering, they face challenges in industrial applications, including structural heterogeneity, difficulties in target data…

计算与语言 · 计算机科学 2025-09-03 Sishi Xiong , Ziyang He , Zhongjiang He , Yu Zhao , Changzai Pan , Jie Zhang , Zhenhe Wu , Shuangyong Song , Yongxiang Li

The emergence of large language models (LLMs) has marked a significant breakthrough in natural language processing (NLP), fueling a paradigm shift in information acquisition. Nevertheless, LLMs are prone to hallucination, generating…

The rapid evolution of cyber threats necessitates innovative solutions for detecting and analyzing malicious activity. Honeypots, which are decoy systems designed to lure and interact with attackers, have emerged as a critical component in…

密码学与安全 · 计算机科学 2024-11-05 Hakan T. Otal , M. Abdullah Canbaz

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in…

计算与语言 · 计算机科学 2024-04-01 Qinhao Zhou , Zihan Zhang , Xiang Xiang , Ke Wang , Yuchuan Wu , Yongbin Li

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

计算与语言 · 计算机科学 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…