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Multi-step agentic retrieval systems based on large language models (LLMs) have demonstrated remarkable performance in complex information search tasks. However, these systems still face significant challenges in practical applications,…

Machine Learning · Computer Science 2025-10-16 Chuzhan Hao , Wenfeng Feng , Yuewei Zhang , Hao Wang

Polymer literature contains a large and growing body of experimental knowledge, yet much of it is buried in unstructured text and inconsistent terminology, making systematic retrieval and reasoning difficult. Existing tools typically…

Computational Engineering, Finance, and Science · Computer Science 2026-02-19 Sonakshi Gupta , Akhlak Mahmood , Wei Xiong , Rampi Ramprasad

While automated chemical tools excel at specific tasks, they have struggled to capture the strategic thinking that characterizes expert chemical reasoning. Here we demonstrate that large language models (LLMs) can serve as powerful tools…

Artificial Intelligence · Computer Science 2025-07-25 Andres M Bran , Theo A Neukomm , Daniel P Armstrong , Zlatko Jončev , Philippe Schwaller

With the increasing demand for step-wise, cross-modal, and knowledge-grounded reasoning, multimodal large language models (MLLMs) are evolving beyond the traditional fixed retrieve-then-generate paradigm toward more sophisticated agentic…

Artificial Intelligence · Computer Science 2026-03-03 Xuying Ning , Dongqi Fu , Tianxin Wei , Mengting Ai , Jiaru Zou , Ting-Wei Li , Hanghang Tong , Yada Zhu , Hendrik Hamann , Jingrui He

We present BioRAGent, an interactive web-based retrieval-augmented generation (RAG) system for biomedical question answering. The system uses large language models (LLMs) for query expansion, snippet extraction, and answer generation while…

Computation and Language · Computer Science 2024-12-18 Samy Ateia , Udo Kruschwitz

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift…

Large Language Models (LLMs) have exhibited impressive generation capabilities, but they suffer from hallucinations when solely relying on their internal knowledge, especially when answering questions that require less commonly known…

Computation and Language · Computer Science 2023-11-01 Wenting Zhao , Ye Liu , Tong Niu , Yao Wan , Philip S. Yu , Shafiq Joty , Yingbo Zhou , Semih Yavuz

Theorem proving serves as a major testbed for evaluating complex reasoning abilities in large language models (LLMs). However, traditional automated theorem proving (ATP) approaches rely heavily on formal proof systems that poorly align…

Computation and Language · Computer Science 2025-06-04 Ziyin Zhang , Jiahao Xu , Zhiwei He , Tian Liang , Qiuzhi Liu , Yansi Li , Linfeng Song , Zhenwen Liang , Zhuosheng Zhang , Rui Wang , Zhaopeng Tu , Haitao Mi , Dong Yu

Multi-step processes via large language models (LLMs) have proven effective for solving complex reasoning tasks. However, the depth of exploration of the reasoning procedure can significantly affect the task performance. Existing methods to…

Artificial Intelligence · Computer Science 2025-06-19 Jinghan Zhang , Xiting Wang , Fengran Mo , Yeyang Zhou , Wanfu Gao , Kunpeng Liu

Recent advances in deep-research agents have shown promise for autonomous knowledge construction through dynamic reasoning over external sources. However, existing approaches rely on a mono-contextual paradigm that accumulates all…

How to edit the knowledge in multi-step reasoning has become the major challenge in the knowledge editing (KE) of large language models (LLMs). The difficulty arises because the hallucinations of LLMs during multi-step reasoning often lead…

Computation and Language · Computer Science 2024-11-12 Yiwei Wang , Muhao Chen , Nanyun Peng , Kai-Wei Chang

Recent advances in large language models (LLMs) have enabled deep research systems that synthesize comprehensive, report-style answers to open-ended queries by combining retrieval, reasoning, and generation. Yet most frameworks rely on…

Computation and Language · Computer Science 2026-05-26 Lin Ai , Victor S. Bursztyn , Xiang Chen , Julia Hirschberg , Saayan Mitra

Search engines are crucial as they provide an efficient and easy way to access vast amounts of information on the internet for diverse information needs. User queries, even with a specific need, can differ significantly. Prior research has…

Information Retrieval · Computer Science 2023-12-27 Xiaopeng Li , Lixin Su , Pengyue Jia , Xiangyu Zhao , Suqi Cheng , Junfeng Wang , Dawei Yin

Contemporary large language model (LLM)-based multi-agent systems exhibit systematic advantages in deep research tasks, which emphasize iterative, vertically structured information seeking. However, when confronted with wide search tasks…

Multiagent Systems · Computer Science 2026-02-03 Mingju Chen , Guibin Zhang , Heng Chang , Yuchen Guo , Shiji Zhou

Product retrieval is the backbone of e-commerce search: for each user query, it identifies a high-recall candidate set from billions of items, laying the foundation for high-quality ranking and user experience. Despite extensive…

Information Retrieval · Computer Science 2026-04-28 Gui Ling , Weiyuan Li , Yue Jiang , Wenjun Peng , Xingxian Liu , Dongshuai Li , Fuyu Lv , Dan Ou , Haihong Tang

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

Scientific algorithm discovery is iterative: hypotheses are proposed, implemented, stress-tested, and revised. Current LLM-guided search systems accelerate proposal generation, but often under-represent scientific structure by optimizing…

Machine Learning · Computer Science 2026-04-02 Youssef Mroueh , Carlos Fonseca , Brian Belgodere , David Cox

Education is one of the most promising real-world applications for Large Language Models (LLMs). However, current LLMs rely on static pre-training knowledge and lack adaptation to individual learners, while existing RAG systems fall short…

Computers and Society · Computer Science 2026-05-12 Bingxi Zhao , Jiahao Zhang , Xubin Ren , Zirui Guo , Tianzhe Chu , Yi Ma , Chao Huang

Retrieval-augmented Large Language Models (LLMs) offer substantial benefits in enhancing performance across knowledge-intensive scenarios. However, these methods often face challenges with complex inputs and encounter difficulties due to…

Computation and Language · Computer Science 2024-10-17 Haoyu Wang , Ruirui Li , Haoming Jiang , Jinjin Tian , Zhengyang Wang , Chen Luo , Xianfeng Tang , Monica Cheng , Tuo Zhao , Jing Gao

Deep research agents, which synthesize information across diverse sources, are significantly constrained by the sequential nature of reasoning. This bottleneck results in high latency, poor runtime adaptability, and inefficient resource…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-31 Lunyiu Nie , Nedim Lipka , Ryan A. Rossi , Swarat Chaudhuri