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Deep search has become a crucial capability for frontier multimodal agents, enabling models to solve complex questions through active search, evidence verification, and multi-step reasoning. Despite rapid progress, top-tier multimodal…

Computer Vision and Pattern Recognition · Computer Science 2026-05-07 Shuang Chen , Kaituo Feng , Hangting Chen , Wenxuan Huang , Dasen Dai , Quanxin Shou , Yunlong Lin , Xiangyu Yue , Shenghua Gao , Tianyu Pang

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with…

Artificial Intelligence · Computer Science 2026-02-09 Lijie Ding , Jan-Michael Carrillo , Changwoo Do

While Large Language Models (LLMs) have evolved into tool-using agents, they remain brittle in long-horizon interactions. Unlike mathematical reasoning where errors are often rectifiable via backtracking, tool-use failures frequently induce…

Artificial Intelligence · Computer Science 2026-03-17 Shengda Fan , Xuyan Ye , Yupeng Huo , Zhi-Yuan Chen , Yiju Guo , Shenzhi Yang , Wenkai Yang , Shuqi Ye , Jingwen Chen , Haotian Chen , Xin Cong , Yankai Lin

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Large language model (LLM)-based search agents have proven promising for addressing knowledge-intensive problems by incorporating information retrieval capabilities. Existing works largely focus on optimizing the reasoning paradigms of…

Artificial Intelligence · Computer Science 2026-01-09 Tongyu Wen , Guanting Dong , Zhicheng Dou

Document Question Answering (DocQA) focuses on answering questions grounded in given documents, yet existing DocQA agents lack effective tool utilization and largely rely on closed-source models. In this work, we introduce DocDancer, an…

Computation and Language · Computer Science 2026-01-09 Qintong Zhang , Xinjie Lv , Jialong Wu , Baixuan Li , Zhengwei Tao , Guochen Yan , Huanyao Zhang , Bin Wang , Jiahao Xu , Haitao Mi , Wentao Zhang

Large Language Models (LLMs) enhance their problem-solving capability by utilizing external tools. However, in open-world scenarios with massive and evolving tool repositories, existing methods relying on static embedding retrieval or…

Computation and Language · Computer Science 2026-04-16 Shouzheng Huang , Meishan Zhang , Baotian Hu , Min Zhang

Despite the remarkable progress of large language models (LLMs), the capabilities of standalone LLMs have begun to plateau when tackling real-world, complex tasks that require interaction with external tools and dynamic environments.…

The integration of Large Language Models (LLMs) into the scientific ecosystem raises fundamental questions about the creativity and originality of AI-generated research. Recent work has identified ``smart plagiarism'' as a concern in…

Computation and Language · Computer Science 2026-01-16 Devesh Saraogi , Rohit Singhee , Dhruv Kumar

With the advancement of large language models (LLMs) in their knowledge base and reasoning capabilities, their interactive modalities have evolved from pure text to multimodality and further to agentic tool use. Consequently, their…

Artificial Intelligence · Computer Science 2026-03-31 Yipeng Yu

While recent advances in reasoning models have demonstrated cognitive behaviors through reinforcement learning, existing approaches struggle to invoke deep reasoning capabilities in multi-turn agents with long-horizon interactions. We…

Computation and Language · Computer Science 2025-10-10 Qiaoyu Tang , Hao Xiang , Le Yu , Bowen Yu , Yaojie Lu , Xianpei Han , Le Sun , WenJuan Zhang , Pengbo Wang , Shixuan Liu , Zhenru Zhang , Jianhong Tu , Hongyu Lin , Junyang Lin

Large language models (LLMs) have recently demonstrated remarkable capabilities to comprehend human intentions, engage in reasoning, and design planning-like behavior. To further unleash the power of LLMs to accomplish complex tasks, there…

Edge-scale deep research agents based on small language models are attractive for real-world deployment due to their advantages in cost, latency, and privacy. In this work, we study how to train a strong small deep research agent under…

LLM-based agents score well on search benchmarks, yet real users consistently find results unsatisfying, revealing a persistent evaluation-experience gap. We attribute this gap to existing benchmarks' reliance on over-specified queries,…

Computation and Language · Computer Science 2026-05-28 Xiaohongshu Inc

Large language model (LLM)-based agents have demonstrated remarkable capabilities in addressing complex tasks, thereby enabling more advanced information retrieval and supporting deeper, more sophisticated human information-seeking…

Artificial Intelligence · Computer Science 2025-11-11 Yuyang Zhao , Wentao Shi , Fuli Feng , Xiangnan He

Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online…

Artificial Intelligence · Computer Science 2025-02-18 Zhenfang Chen , Delin Chen , Rui Sun , Wenjun Liu , Chuang Gan

Current dialogue systems are not very engaging for users, especially when trained end-to-end without relying on proactive reengaging scripted strategies. Zhang et al. (2018) showed that the engagement level of end-to-end dialogue models…

Computation and Language · Computer Science 2018-09-07 Pierre-Emmanuel Mazaré , Samuel Humeau , Martin Raison , Antoine Bordes

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Understanding patients experiences is essential for advancing patient centered care, especially in chronic diseases that require ongoing communication. However, qualitative thematic analysis, the primary approach for exploring these…

Human-Computer Interaction · Computer Science 2025-12-19 Qidi Xu , Nuzha Amjad , Grace Giles , Alexa Cumming , De'angelo Hermesky , Alexander Wen , Min Ji Kwak , Yejin Kim

LLM-powered multi-agent systems can now automate the full research pipeline from ideation to paper writing, but a fundamental question remains: automation for whom? Researchers operate under different resource configurations, hold different…

Artificial Intelligence · Computer Science 2026-05-18 Jinhang Xu , Qiyuan Zhu , Yujun Wu , Zirui Wang , Dongxu Zhang , Marcia Tian , Yiling Duan , Siyuan Li , Jingxuan Wei , Sirui Han , Yike Guo , Odin Zhang , Conghui He , Cheng Tan