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Automating the adaptation of software engineering (SE) research artifacts across datasets is essential for scalability and reproducibility, yet it remains largely unstudied. Recent advances in large language model (LLM)-based multi-agent…

Software Engineering · Computer Science 2025-11-27 Jingyi Chen , Xiaoyan Guo , Songqiang Chen , Shing-Chi Cheung , Jiasi Shen

Large language models (LLMs) integrated with autonomous agents hold significant potential for advancing scientific discovery through automated reasoning and task execution. However, applying LLM agents to drug discovery is still constrained…

Artificial Intelligence · Computer Science 2025-07-29 Kun Li , Zhennan Wu , Shoupeng Wang , Jia Wu , Shirui Pan , Wenbin Hu

Artificial intelligence is increasingly catalyzing scientific automation, with multimodal large language model (MLLM) agents evolving from lab assistants into self-driving lab operators. This transition imposes stringent safety requirements…

Artificial Intelligence · Computer Science 2026-03-13 Qianpu Sun , Xiaowei Chi , Yuhan Rui , Ying Li , Kuangzhi Ge , Jiajun Li , Sirui Han , Shanghang Zhang

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

In an era where single large language models have dominated the landscape of artificial intelligence for years, multi-agent systems arise as new protagonists in conversational task-solving. While previous studies have showcased their…

Computation and Language · Computer Science 2024-11-04 Jonas Becker

Automated scoring plays a crucial role in education by reducing the reliance on human raters, offering scalable and immediate evaluation of student work. While large language models (LLMs) have shown strong potential in this task, their use…

Computation and Language · Computer Science 2026-03-26 Yun Wang , Zhaojun Ding , Xuansheng Wu , Siyue Sun , Ninghao Liu , Xiaoming Zhai

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab…

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

Autonomous Driving Systems (ADSs) are revolutionizing transportation by reducing human intervention, improving operational efficiency, and enhancing safety. Large Language Models (LLMs) have been integrated into ADSs to support high-level…

Multiagent Systems · Computer Science 2025-10-15 Yaozu Wu , Dongyuan Li , Yankai Chen , Renhe Jiang , Henry Peng Zou , Wei-Chieh Huang , Yangning Li , Liancheng Fang , Zhen Wang , Philip S. Yu

Chemical laboratory automation has long been constrained by rigid workflows and poor adaptability to the long-tail distribution of experimental tasks. While most automated platforms perform well on a narrow set of standardized procedures,…

Robotics · Computer Science 2026-03-26 Xiangyi Wei , Fei Wang , Haotian Zhang , Xin An , Haitian Zhu , Lianrui Hu , Yang Li , Changbo Wang , Xiao He

Large language models (LLMs) have demonstrated notable potential in medical applications, yet they face substantial challenges in handling complex real-world clinical diagnoses using conventional prompting methods. Current prompt…

Artificial Intelligence · Computer Science 2026-03-02 Wenliang Li , Rui Yan , Xu Zhang , Li Chen , Hongji Zhu , Jing Zhao , Junjun Li , Mengru Li , Wei Cao , Zihang Jiang , Wei Wei , Kun Zhang , Shaohua Kevin Zhou

The automated generation of layouts is vital for embodied intelligence and autonomous systems, supporting applications from virtual environment construction to home robot deployment. Current approaches, however, suffer from spatial…

Backdoor attacks pose a serious threat to the secure deployment of large language models (LLMs), enabling adversaries to implant hidden behaviors triggered by specific inputs. However, existing methods often rely on manually crafted…

Cryptography and Security · Computer Science 2025-11-24 Yige Li , Zhe Li , Wei Zhao , Nay Myat Min , Hanxun Huang , Xingjun Ma , Jun Sun

Scientific research proceeds through iterative cycles of hypothesis generation, experiment design, execution, and revision. AI agents can automate parts of this process, but existing approaches typically follow a single research trajectory…

Artificial Intelligence · Computer Science 2026-05-28 Shanghua Gao , Ada Fang , Marinka Zitnik

In this paper we introduce ResearchCodeAgent, a novel multi-agent system leveraging large language models (LLMs) agents to automate the codification of research methodologies described in machine learning literature. The system bridges the…

Software Engineering · Computer Science 2025-05-06 Shubham Gandhi , Dhruv Shah , Manasi Patwardhan , Lovekesh Vig , Gautam Shroff

Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into…

Artificial Intelligence · Computer Science 2026-01-13 Xufei Tian , Wenli Du , Shaoyi Yang , Han Hu , Hui Xin , Shifeng Qu , Ke Ye

Autonomous Driving Systems (ADS) are safety-critical, where failures can be severe. While Metamorphic Testing (MT) is effective for fault detection in ADS, existing methods rely heavily on manual effort and lack automation. We present…

Software Engineering · Computer Science 2025-10-23 Linfeng Liang , Chenkai Tan , Yao Deng , Yingfeng Cai , T. Y Chen , Xi Zheng

In this study, we introduced a new benchmark consisting of a curated dataset and a defined evaluation process to assess the compositional reasoning capabilities of large language models within the chemistry domain. We designed and validated…

Computation and Language · Computer Science 2025-08-07 Mohammad Khodadad , Ali Shiraee Kasmaee , Mahdi Astaraki , Nicholas Sherck , Hamidreza Mahyar , Soheila Samiee

Fully autonomous science has long been a defining ambition for artificial intelligence in materials discovery, yet its realization requires more than automating isolated calculations. In computational catalysis, a system autonomously…

Materials Science · Physics 2026-05-13 Honghao Chen , Jiangjie Qiu , Yi Shen Tew , Xiaonan Wang