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With the recent emergence of revolutionary autonomous agentic systems, research community is witnessing a significant shift from traditional static, passive, and domain-specific AI agents toward more dynamic, proactive, and generalizable…

Computer Vision and Pattern Recognition · Computer Science 2025-10-14 Huanjin Yao , Ruifei Zhang , Jiaxing Huang , Jingyi Zhang , Yibo Wang , Bo Fang , Ruolin Zhu , Yongcheng Jing , Shunyu Liu , Guanbin Li , Dacheng Tao

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Reinforcement Learning (RL) has traditionally focused on training specialized agents to optimize predefined reward functions within narrowly defined environments. However, the advent of powerful Large Language Models (LLMs) and increasingly…

Artificial Intelligence · Computer Science 2026-05-18 Fangming Cui , Ruixiao Zhu , Cheng Fang , Sunan Li , Jiahong Li

Reasoning is a fundamental cognitive process underlying inference, problem-solving, and decision-making. While large language models (LLMs) demonstrate strong reasoning capabilities in closed-world settings, they struggle in open-ended and…

As the strength of Large Language Models (LLMs) has grown over recent years, so too has interest in their use as the underlying models for autonomous agents. Although LLMs demonstrate emergent abilities and broad expertise across natural…

Artificial Intelligence · Computer Science 2024-12-06 Chris Sypherd , Vaishak Belle

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers,…

Computation and Language · Computer Science 2025-06-02 Georg Wölflein , Dyke Ferber , Daniel Truhn , Ognjen Arandjelović , Jakob Nikolas Kather

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu

Large Language Models (LLMs) have advanced artificial intelligence by enabling human-like text generation and natural language understanding. However, their reliance on static training data limits their ability to respond to dynamic,…

Artificial Intelligence · Computer Science 2026-04-02 Aditi Singh , Abul Ehtesham , Saket Kumar , Tala Talaei Khoei , Athanasios V. Vasilakos

Recent advances on large language models (LLMs) enable researchers and developers to build autonomous language agents that can automatically solve various tasks and interact with environments, humans, and other agents using natural language…

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction…

Artificial Intelligence · Computer Science 2025-10-22 Abhigya Verma , Seganrasan Subramanian , Nandhakumar Kandasamy , Naman Gupta

Background: There is great interest in agentic LLMs, large language models that act as agents. Objectives: We review the growing body of work in this area and provide a research agenda. Methods: Agentic LLMs are LLMs that (1) reason, (2)…

Artificial Intelligence · Computer Science 2026-01-01 Aske Plaat , Max van Duijn , Niki van Stein , Mike Preuss , Peter van der Putten , Kees Joost Batenburg

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Patents contain rich technical knowledge that can inspire innovative product ideas, yet accessing and interpreting this information remains a challenge. This work explores the use of Large Language Models (LLMs) and autonomous agents to…

Artificial Intelligence · Computer Science 2025-07-03 Gopichand Kanumolu , Ashok Urlana , Charaka Vinayak Kumar , Bala Mallikarjunarao Garlapati

Large Language Model (LLM) agents, acting on their users' behalf to manipulate and analyze data, are likely to become the dominant workload for data systems in the future. When working with data, agents employ a high-throughput process of…

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is…

Software Engineering · Computer Science 2025-10-24 Jiale Guo , Suizhi Huang , Mei Li , Dong Huang , Xingsheng Chen , Regina Zhang , Zhijiang Guo , Han Yu , Siu-Ming Yiu , Pietro Lio , Kwok-Yan Lam

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive…

Artificial Intelligence · Computer Science 2026-01-21 Arunkumar V , Gangadharan G. R. , Rajkumar Buyya

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,…

State-of-the-art large language models (LLMs) show high performance in general visual question answering. However, a fundamental limitation remains: current architectures lack the native 3D spatial reasoning required for direct analysis of…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Ayhan Can Erdur , Daniel Scholz , Jiazhen Pan , Benedikt Wiestler , Daniel Rueckert , Jan C. Peeken

Applying reinforcement learning (RL) to real-world tasks requires converting informal descriptions into a formal Markov decision process (MDP), implementing an executable environment, and training a policy agent. Automating this process is…

Artificial Intelligence · Computer Science 2025-12-15 Hong Je-Gal , Chan-Bin Yi , Hyun-Suk Lee