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The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

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…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu

As LLMs shift toward autonomous agents, Deep Research has emerged as a pivotal metric. However, existing academic benchmarks like BrowseComp often fail to meet real-world demands for open-ended research, which requires robust skills in…

Despite recent advancements in Large Language Models (LLMs), complex Software Engineering (SE) tasks require more collaborative and specialized approaches. This concept paper systematically reviews the emerging paradigm of LLM-based…

Software Engineering · Computer Science 2026-01-21 Yongjian Tang , Thomas Runkler

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

Advances in large language models (LLMs) have created new opportunities in data science, but their deployment is often limited by the challenge of finding relevant data in large data lakes. Existing methods struggle with this: both single-…

Multiagent Systems · Computer Science 2026-02-03 Alireza Salemi , Mihir Parmar , Palash Goyal , Yiwen Song , Jinsung Yoon , Hamed Zamani , Tomas Pfister , Hamid Palangi

Autonomous scientific research is significantly advanced thanks to the development of AI agents. One key step in this process is finding the right scientific literature, whether to explore existing knowledge for a research problem, or to…

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

Large language models (LLMs) exhibit remarkable capabilities across diverse tasks, yet aligning them efficiently and effectively with human expectations remains a critical challenge. This thesis advances LLM alignment by introducing novel…

Computation and Language · Computer Science 2025-06-12 Yuxin Jiang

Recent advances in AI and ML have transformed data science, yet increasing complexity and expertise requirements continue to hinder progress. Although crowd-sourcing platforms alleviate some challenges, high-level machine learning…

In recent years, Large Language Models (LLMs) have emerged as transformative tools across numerous domains, impacting how professionals approach complex analytical tasks. This systematic mapping study comprehensively examines the…

Computers and Society · Computer Science 2025-08-19 Sai Sanjna Chintakunta , Nathalia Nascimento , Everton Guimaraes

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention…

Computation and Language · Computer Science 2023-05-24 Md Mahadi Hassan , Alex Knipper , Shubhra Kanti Karmaker Santu

Agentic AI systems -- Large Language Models (LLMs) augmented with planning, tool use, memory, and long-horizon interactions -- can execute complex tasks autonomously, but their multi-step trajectories introduce new failure modes that…

Artificial Intelligence · Computer Science 2026-05-26 Jinhu Qi , Muzhi Li , Jiahong Liu , Yuqin Shu , Dianzhi Yu , Shicheng Ma , Wenqian Cui , Yiyang Zhao , Yiyi Chen , Ruoxi Jiang , Irwin King , Zenglin Xu

Autonomous agents powered by large language models (LLMs) have garnered significant research attention. However, fully harnessing the potential of LLMs for agent-based tasks presents inherent challenges due to the heterogeneous nature of…

Fine-tuning on agent-environment interaction trajectory data holds significant promise for surfacing generalized agent capabilities in open-source large language models (LLMs). In this work, we introduce AgentBank, by far the largest…

Computation and Language · Computer Science 2024-10-11 Yifan Song , Weimin Xiong , Xiutian Zhao , Dawei Zhu , Wenhao Wu , Ke Wang , Cheng Li , Wei Peng , Sujian Li

Equipping large language models (LLMs) with complex, interleaved reasoning and tool-use capabilities has become a key focus in agentic AI research, especially with recent advances in reasoning-oriented (``thinking'') models. Such…

Artificial Intelligence · Computer Science 2025-09-10 Xuan-Phi Nguyen , Shrey Pandit , Revanth Gangi Reddy , Austin Xu , Silvio Savarese , Caiming Xiong , Shafiq Joty

The arrival of large language models (LLMs) capable of multi-step reasoning, tool use, and long-horizon planning has produced a qualitative shift in software engineering. Where earlier code-completion tools such as GitHub Copilot operated…

Software Engineering · Computer Science 2026-04-30 Happy Bhati

Human-level driving is an ultimate goal of autonomous driving. Conventional approaches formulate autonomous driving as a perception-prediction-planning framework, yet their systems do not capitalize on the inherent reasoning ability and…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Jiageng Mao , Junjie Ye , Yuxi Qian , Marco Pavone , Yue Wang

While Large Multimodal Models (LMMs) demonstrate impressive visual perception, they remain epistemically constrained by their static parametric knowledge. To transcend these boundaries, multimodal search models have been adopted to actively…

Computer Vision and Pattern Recognition · Computer Science 2026-04-16 Yikun Liu , Yuan Liu , Le Tian , Xiao Zhou , Jiangchao Yao , Yanfeng Wang , Weidi Xie

Large language models (LLMs) are increasingly used in clinical settings, raising concerns about racial bias in both generated medical text and clinical reasoning. Existing studies have identified bias in medical LLMs, but many focus on…

Computers and Society · Computer Science 2026-04-21 Sihao Xing , Zaur Gouliev
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