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Large Language Models (LLMs) have facilitated the definition of autonomous intelligent agents. Such agents have already demonstrated their potential in solving complex tasks in different domains. And they can further increase their…

Software Engineering · Computer Science 2025-06-30 Adem Ait , Javier Luis Cánovas Izquierdo , Jordi Cabot

Agentic systems are becoming more capable: agents define strategies, take actions, and interact with different environments. This autonomy poses serious challenges for overseeing and assessing agent behavior. Most current tools are limited,…

Computation and Language · Computer Science 2026-05-22 Asaf Yehudai , Lilach Eden , Michal Shmueli-Scheuer

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

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing…

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

High-quality scientific review and perspective papers require substantial time and effort, limiting researchers' ability to synthesize emerging knowledge. While Large Language Models (LLMs) leverage AI Scientists for scientific workflows,…

Artificial Intelligence · Computer Science 2026-03-03 Sasi Kiran Gaddipati , Farhana Keya , Gollam Rabby , Sören Auer

Autonomous agents powered by large language models (LLMs) perform complex tasks through long-horizon reasoning and tool interaction, where a fundamental trade-off arises between execution efficiency and reasoning robustness. Models at…

Computation and Language · Computer Science 2026-03-30 Wenbo Gao , Renxi Liu , Xian Wang , Fang Guo , Shuai Yang , Xi Chen , Hui-Ling Zhen , Hanting Chen , Weizhe Lin , Xiaosong Li , Yaoyuan Wang

Agent orchestration frameworks have proliferated, collectively exceeding 290,000 GitHub stars across LangGraph, CrewAI, Google ADK, OpenAI Agents SDK, Semantic Kernel, Strands, and LlamaIndex. All follow the same pattern: an external…

Artificial Intelligence · Computer Science 2026-05-22 Simon Dennis , Rivaan Patil , Kevin Shabahang , Hao Guo

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

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.…

Autonomous data science, from raw data sources to analyst-grade deep research reports, has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data…

Artificial Intelligence · Computer Science 2025-10-21 Shaolei Zhang , Ju Fan , Meihao Fan , Guoliang Li , Xiaoyong Du

As LLMs are increasingly deployed as agents, reliable assessment of their agentic capabilities has become essential. However, reported benchmark scores often jointly reflect model capability and the implementation choices each benchmark is…

Artificial Intelligence · Computer Science 2026-05-28 Pengyu Zhu , Lijun Li , Yaxing Lyu , Qianxin Luo , Jingyi Yang , Yi Liu , Tingfeng Hui , Xinyu Yuan , Li Sun , Sen Su , Jing Shao

Large language model (LLM)-based systems are increasingly deployed to conduct scientific research autonomously, yet whether their reasoning adheres to the epistemic norms that make scientific inquiry self-correcting is poorly understood.…

Agentic frameworks powered by Large Language Models (LLMs) can be useful tools in scientific workflows by enabling human-AI co-creation. A key challenge is recommending the next steps during workflow creation without relying solely on LLMs,…

Solving complex real-world tasks requires cycles of actions and observations. This is particularly true in science, where tasks require many cycles of analysis, tool use, and experimentation. Language agents are promising for automating…

Simulations, although powerful in accurately replicating real-world systems, often remain inaccessible to non-technical users due to their complexity. Conversely, large language models (LLMs) provide intuitive, language-based interactions…

Computation and Language · Computer Science 2025-05-22 Jacob Kleiman , Kevin Frank , Joseph Voyles , Sindy Campagna

While AI for Science (AI4S) serves as an analytical tool in the current research paradigm, it doesn't solve its core inefficiency. We propose "Agent for Science" (Agent4S)-the use of LLM-driven agents to automate the entire research…

Artificial Intelligence · Computer Science 2025-07-01 Boyuan Zheng , Zerui Fang , Zhe Xu , Rui Wang , Yiwen Chen , Cunshi Wang , Mengwei Qu , Lei Lei , Zhen Feng , Yan Liu , Yuyang Li , Mingzhou Tan , Jiaji Wu , Jianwei Shuai , Jia Li , Fangfu Ye

Robotic laboratories play a critical role in autonomous scientific discovery by enabling scalable, continuous experimental execution. Recent vision-language-action (VLA) models offer a promising foundation for robotic laboratories. However,…

Robotics · Computer Science 2026-02-11 Yiwen Pang , Bo Zhou , Changjin Li , Xuanhao Wang , Shengxiang Xu , Deng-Bao Wang , Min-Ling Zhang , Shimin Di

The rapid advancement of scientific progress requires innovative tools that can accelerate knowledge discovery. Although recent AI methods, particularly large language models (LLMs), have shown promise in tasks such as hypothesis generation…

Artificial Intelligence · Computer Science 2025-05-28 Haoyang Su , Renqi Chen , Shixiang Tang , Zhenfei Yin , Xinzhe Zheng , Jinzhe Li , Biqing Qi , Qi Wu , Hui Li , Wanli Ouyang , Philip Torr , Bowen Zhou , Nanqing Dong

Large language models (LLMs) have moved far beyond their initial form as simple chatbots, now carrying out complex reasoning, planning, writing, coding, and research tasks. These skills overlap significantly with those that human scientists…

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