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The rapid advancement of Generative AI has catalyzed the emergence of autonomous AI agents, presenting unprecedented challenges for enterprise computing infrastructures. Current enterprise API architectures are predominantly designed for…

Software Engineering · Computer Science 2025-02-26 Vaibhav Tupe , Shrinath Thube

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Increasingly, scientific discovery requires sophisticated and scalable workflows. Workflows have become the ``new applications,'' wherein multi-scale computing campaigns comprise multiple and heterogeneous executable tasks. In particular,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-26 Shantenu Jha , Vincent R. Pascuzzi , Matteo Turilli

In recent years, advances in artificial intelligence (AI), particularly generative AI (GenAI) and large language models (LLMs), have made human-computer interactions more frequent, efficient, and accessible across sectors ranging from…

Computers and Society · Computer Science 2025-12-19 Przemek Pospieszny , Dominika P. Brodowicz

In the age of large language models (LLMs), autonomous agents have emerged as a powerful paradigm for achieving general intelligence. These agents dynamically leverage tools, memory, and reasoning capabilities to accomplish user-defined…

Artificial Intelligence · Computer Science 2025-08-05 Chaojia Yu , Zihan Cheng , Hanwen Cui , Yishuo Gao , Zexu Luo , Yijin Wang , Hangbin Zheng , Yong Zhao

Foundation models have reshaped AI by unifying fragmented architectures into scalable backbones with multimodal reasoning and contextual adaptation. In parallel, the long-standing notion of AI agents, defined by the sensing-decision-action…

Machine Learning · Computer Science 2025-10-02 Sicong Liu , Weiye Wu , Xiangrui Xu , Teng Li , Bowen Pang , Bin Guo , Zhiwen Yu

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

The rise of multi-agent systems powered by large language models (LLMs) and specialized reasoning agents exposes fundamental limitations in today's data management architectures. Traditional databases and data fabrics were designed for…

Multiagent Systems · Computer Science 2025-12-11 Ioana Giurgiu , Michael E. Nidd

Current trends point to a future where large-scale scientific applications are tightly-coupled HPC/AI hybrids. Hence, we urgently need to invest in creating a seamless, scalable framework where HPC and AI/ML can efficiently work together…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-06 Jens Domke , Mohamed Wahib , Anshu Dubey , Tal Ben-Nun , Erik W. Draeger

AI agentic programming is an emerging paradigm where large language model (LLM)-based coding agents autonomously plan, execute, and interact with tools such as compilers, debuggers, and version control systems. Unlike conventional code…

Software Engineering · Computer Science 2025-09-16 Huanting Wang , Jingzhi Gong , Huawei Zhang , Jie Xu , Zheng Wang

The promising potential of AI and network convergence in improving networking performance and enabling new service capabilities has recently attracted significant interest. Existing network AI solutions, while powerful, are mainly built…

Networking and Internet Architecture · Computer Science 2025-05-13 Yong Xiao , Guangming Shi , Ping Zhang

Recent advances in multi-agentic systems (e.g. AutoGen, OpenAI Swarm) allow users to interact with a group of specialised AI agents rather than a single general-purpose agent. Despite the promise of this new paradigm, the HCI community has…

Human-Computer Interaction · Computer Science 2025-06-26 Sarah Schömbs , Yan Zhang , Jorge Goncalves , Wafa Johal

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging…

In the rapidly evolving field of artificial intelligence, the ability to harness and integrate knowledge across various domains stands as a paramount challenge and opportunity. This study introduces a novel approach to cross-domain…

This paper details two novel frameworks for developing autonomous, agentic AI in scientific workflows. Both systems leverage a hybrid Local Body, Remote Brain architecture via Google Colab, utilizing Python-based local orchestrators to…

Artificial Intelligence · Computer Science 2026-05-27 Judy Fox , Geoffrey Fox

The rapid development of interactive and autonomous AI systems signals our entry into the agentic era. Training and evaluating agents on complex agentic tasks such as software engineering and computer use requires not only efficient model…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-01-14 Lei Zhang , Mouxiang Chen , Ruisheng Cao , Jiawei Chen , Fan Zhou , Yiheng Xu , Jiaxi Yang , Zeyao Ma , Liang Chen , Changwei Luo , Kai Zhang , Fan Yan , KaShun Shum , Jiajun Zhang , Zeyu Cui , Feng Hu , Junyang Lin , Binyuan Hui , Min Yang

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

Purpose: This paper introduces the concept of "Agentic Publication," a novel LLM-driven framework designed to complement traditional scientific publishing by transforming papers into interactive knowledge systems that address challenges…

Artificial Intelligence · Computer Science 2026-05-06 Roberto Pugliese , George Kourousias , Francesco Venier , Grazia Garlatti Costa

Artificial Intelligence (AI), especially AI agents, is increasingly being applied to chemistry, healthcare, and manufacturing to enhance productivity. In this review, we discuss the progress of AI and agentic AI in areas related to, and…