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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 advancements in large foundation models have remarkably enhanced our understanding of sensory information in open-world environments. In leveraging the power of foundation models, it is crucial for AI research to pivot away from…

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality…

Machine Learning · Computer Science 2026-02-10 Yingming Pu , Tao Lin , Hongyu Chen

Agentic modeling aims to transform LLMs into autonomous agents capable of solving complex tasks through planning, reasoning, tool use, and multi-turn interaction with environments. Despite major investment, open research remains constrained…

Artificial Intelligence · Computer Science 2026-05-22 Baolin Peng , Wenlin Yao , Qianhui Wu , Hao Cheng , Xiao Yu , Rui Yang , Tao Ge , Alessandro Sordoni , Xingdi Yuan , Yelong Shen , Pengcheng He , Tong Zhang , Zhou Yu , Jianfeng Gao

Autonomous agent frameworks built upon large language models (LLMs) are evolving into complex, tool-integrated, and continuously operating systems, introducing security risks beyond traditional prompt-level vulnerabilities. As this paradigm…

Cryptography and Security · Computer Science 2026-05-01 Luyao Xu , Xiang Chen

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents…

Self-evolving agents should not train on examples they cannot justify. Data-free self-evolving search agents offer a scalable route to systems that generate their own questions, answer them, and improve from their own feedback without human…

Artificial Intelligence · Computer Science 2026-05-25 Yamato Arai , Yuma Ichikawa

The rapid advancement of large language models (LLMs) has significantly enhanced the capabilities of AI-driven agents across various tasks. However, existing agentic systems, whether based on fixed pipeline algorithms or pre-defined…

Artificial Intelligence · Computer Science 2025-06-03 Xunjian Yin , Xinyi Wang , Liangming Pan , Li Lin , Xiaojun Wan , William Yang Wang

Scientific workflows in computational chemistry and materials science typically involve multiple interdependent steps, such as model preparation, system construction, simulation execution, and data analysis, that researchers have refined…

Recent advances in the intrinsic reasoning capabilities of large language models (LLMs) have given rise to LLM-based agent systems that exhibit near-human performance on a variety of automated tasks. However, although these systems share…

Artificial Intelligence · Computer Science 2025-08-26 Bingxi Zhao , Lin Geng Foo , Ping Hu , Christian Theobalt , Hossein Rahmani , Jun Liu

Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce…

Artificial Intelligence · Computer Science 2026-03-25 Alfred Shen , Aaron Shen

In this work, we propose MetaAgent, an agentic paradigm inspired by the principle of learning-by-doing, where expertise is developed through hands-on practice and continual self-improvement. MetaAgent starts with a minimal workflow,…

Artificial Intelligence · Computer Science 2025-09-03 Hongjin Qian , Zheng Liu

Multi-agent systems powered by large language models have demonstrated remarkable capabilities across diverse domains, yet existing automated design approaches seek monolithic solutions that fail to adapt resource allocation based on query…

Artificial Intelligence · Computer Science 2025-10-06 Bo Ma , Hang Li , ZeHua Hu , XiaoFan Gui , LuYao Liu , Simon Liu

Large-scale scientific datasets -- spanning health biobanks, cell atlases, Earth reanalyses, and more -- create opportunities for exploratory discovery unconstrained by specific research questions. We term this process hypothesis hunting:…

Artificial Intelligence · Computer Science 2025-10-13 Tennison Liu , Silas Ruhrberg Estévez , David L. Bentley , Mihaela van der Schaar

Vision-language agents have achieved remarkable progress in a variety of multimodal reasoning tasks; however, their learning remains constrained by the limitations of human-annotated supervision. Recent self-rewarding approaches attempt to…

Computer Vision and Pattern Recognition · Computer Science 2025-11-27 Jiaqi Liu , Kaiwen Xiong , Peng Xia , Yiyang Zhou , Haonian Ji , Lu Feng , Siwei Han , Mingyu Ding , Huaxiu Yao

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges.…

Artificial Intelligence · Computer Science 2025-10-01 Gihan Panapitiya , Emily Saldanha , Heather Job , Olivia Hess

Autonomous materials research systems allow scientists to fail smarter, learn faster, and spend less resources in their studies. As these systems grow in number, capability, and complexity, a new challenge arises - how will they work…

Multiagent Systems · Computer Science 2023-03-21 A. Gilad Kusne , Austin McDannald

The performance gap between closed-source and open-source large language models (LLMs) is largely attributed to disparities in access to high-quality training data. To bridge this gap, we introduce a novel framework for the automated…

The rising popularity of the microservice architectural style has led to a growing demand for automated testing approaches tailored to these systems. EvoMaster is a state-of-the-art tool that uses Evolutionary Algorithms (EAs) to…

Software Engineering · Computer Science 2025-01-31 Clinton Cao , Annibale Panichella , Sicco Verwer

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…