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The synthesis of complex natural products remains one of the grand challenges of organic chemistry. We present DeepRetro, a major advancement in computational retrosynthesis that enables the discovery of viable synthetic routes for complex…

As scientific literature grows rapidly, automated survey generation has become a key capability for AI scientists and human researchers. However, existing systems suffer from limited analytical depth due to reliance on abstracts and…

Artificial Intelligence · Computer Science 2026-05-29 Ziyue Yang , Da Ma , Hanqi Li , Zijian Wang , Tiancheng Huang , Zijian Hu , Chenrun Wang , Yunzhe Zhang , Xiaobao Wu , Kai Yu , Lu Chen

DeepResearch agents represent a transformative AI paradigm, conducting expert-level research through sophisticated reasoning and multi-tool integration. However, evaluating these systems remains critically challenging due to open-ended…

Artificial Intelligence · Computer Science 2025-10-10 Tianyu Fan , Xinyao Niu , Yuxiang Zheng , Fengji Zhang , Chengen Huang , Bei Chen , Junyang Lin , Chao Huang

Information retrieval is a cornerstone of modern knowledge acquisition, enabling billions of queries each day across diverse domains. However, traditional keyword-based search engines are increasingly inadequate for handling complex,…

Recent advances in large language models (LLMs) have given rise to powerful coding agents, making it possible for code assistants to evolve into code engineers. However, existing methods still face significant challenges in achieving…

Software Engineering · Computer Science 2025-12-10 Zongwei Li , Zhonghang Li , Zirui Guo , Xubin Ren , Chao Huang

Large language models (LLMs) have rapidly evolved from text generators into powerful problem solvers. Yet, many open tasks demand critical thinking, multi-source, and verifiable outputs, which are beyond single-shot prompting or standard…

Generative search engines and deep research LLM agents promise trustworthy, source-grounded synthesis, yet users regularly encounter overconfidence, weak sourcing, and confusing citation practices. We introduce DeepTRACE, a novel…

Computation and Language · Computer Science 2025-09-08 Pranav Narayanan Venkit , Philippe Laban , Yilun Zhou , Kung-Hsiang Huang , Yixin Mao , Chien-Sheng Wu

The rapid advancement of large language models (LLMs) has driven the development of agentic systems capable of autonomously performing complex tasks. Despite their impressive capabilities, LLMs remain constrained by their internal knowledge…

Information Retrieval · Computer Science 2025-08-19 Wenlin Zhang , Xiaopeng Li , Yingyi Zhang , Pengyue Jia , Yichao Wang , Huifeng Guo , Yong Liu , Xiangyu Zhao

Deep research systems powered by LLM agents have transformed complex information seeking by automating the iterative retrieval, filtering, and synthesis of insights from massive-scale web sources. However, existing systems predominantly…

Information Retrieval · Computer Science 2026-03-16 Bo Pan , Lunke Pan , Yitao Zhou , Qi Jiang , Zhen Wen , Minfeng Zhu , Wei Chen

Deep research systems are widely used for multi-step web research, analysis, and cross-source synthesis, yet their evaluation remains challenging. Existing benchmarks often require annotation-intensive task construction, rely on static…

Computation and Language · Computer Science 2026-01-15 Yibo Wang , Lei Wang , Yue Deng , Keming Wu , Yao Xiao , Huanjin Yao , Liwei Kang , Hai Ye , Yongcheng Jing , Lidong Bing

Large language models (LLMs) have been widely integrated into information retrieval to advance traditional techniques. However, effectively enabling LLMs to seek accurate knowledge in complex tasks remains a challenge due to the complexity…

Computation and Language · Computer Science 2025-05-27 Zhengliang Shi , Lingyong Yan , Dawei Yin , Suzan Verberne , Maarten de Rijke , Zhaochun Ren

Large Language Models (LLMs) equipped with web search capabilities have demonstrated impressive potential for deep research tasks. However, current approaches predominantly rely on either manually engineered prompts (prompt…

Artificial Intelligence · Computer Science 2025-04-18 Yuxiang Zheng , Dayuan Fu , Xiangkun Hu , Xiaojie Cai , Lyumanshan Ye , Pengrui Lu , Pengfei Liu

Large Language Models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks, particularly when augmented with search mechanisms that enable systematic exploration of external knowledge bases. The field has evolved from…

Computation and Language · Computer Science 2026-01-27 Yanming Liu , Xinyue Peng , Zixuan Yan , Yanxin Shen , Wenjie Xu , Yuefeng Huang , Xinyi Wang , Jiannan Cao , Jianwei Yin , Xuhong Zhang

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Classical search engines using indexing methods in data infrastructures primarily allow keyword-based queries to retrieve content. While these indexing-based methods are highly scalable and efficient, due to a lack of an appropriate…

Information Retrieval · Computer Science 2025-09-30 Nafis Tanveer Islam , Zhiming Zhao

Large language model agents are becoming increasingly capable at web-centric tasks such as information retrieval, complex reasoning. These emerging capabilities have given rise to surge research interests in developing LLM agent for…

Computation and Language · Computer Science 2026-04-02 Yu Li , Lehui Li , Lin Chen , Qingmin Liao , Fengli Xu , Yong Li

With the rapid advancement of tool-use capabilities in Large Language Models (LLMs), Retrieval-Augmented Generation (RAG) is shifting from static, one-shot retrieval toward autonomous, multi-turn evidence acquisition. However, existing…

Artificial Intelligence · Computer Science 2026-02-13 Zhanli Li , Huiwen Tian , Lvzhou Luo , Yixuan Cao , Ping Luo

Agent-compiled knowledge bases provide persistent external knowledge for large language model (LLM) agents in open-ended, knowledge-intensive downstream tasks. Yet their quality is systematically limited by \emph{incompleteness},…

Computation and Language · Computer Science 2026-05-12 Haoyu Huang , Jiaxin Bai , Shujie Liu , Yang Wei , Hong Ting Tsang , Yisen Gao , Zhongwei Xie , Yufei Li , Yangqiu Song

Artificial intelligence systems for scientific discovery have demonstrated remarkable potential, yet existing approaches remain largely proprietary and operate in batch-processing modes requiring hours per research cycle, precluding…

Artificial Intelligence · Computer Science 2026-01-28 Lukas Weidener , Marko Brkić , Mihailo Jovanović , Ritvik Singh , Chiara Baccin , Emre Ulgac , Alex Dobrin , Aakaash Meduri

Deep research is an inherently challenging task that demands both breadth and depth of thinking. It involves navigating diverse knowledge spaces and reasoning over complex, multi-step dependencies, which presents substantial challenges for…

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