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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

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…

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

OpenMOLE is a scientific workflow engine with a strong emphasis on workload distribution. Workflows are designed using a high level Domain Specific Language (DSL) built on top of Scala. It exposes natural parallelism constructs to easily…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-16 Romain Reuillon , Mathieu Leclaire , Jonathan Passerat-Palmbach

The emergence of "big data" offers unprecedented opportunities for not only accelerating scientific advances but also enabling new modes of discovery. Scientific progress in many disciplines is increasingly enabled by our ability to examine…

Computers and Society · Computer Science 2017-07-03 Vasant G. Honavar , Mark D. Hill , Katherine Yelick

Interactive urgent computing is a small but growing user of supercomputing resources. However there are numerous technical challenges that must be overcome to make supercomputers fully suited to the wide range of urgent workloads which…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-29 Nick Brown , Rupert Nash , Gordon Gibb , Evgenij Belikov , Artur Podobas , Wei Der Chien , Stefano Markidis , Markus Flatken , Andreas Gerndt

With the rapid advancements in Large Language Models (LLMs), an increasing number of studies have leveraged LLMs as the cognitive core of agents to address complex task decision-making challenges. Specially, recent research has demonstrated…

Multiagent Systems · Computer Science 2025-03-13 Di Zhao , Longhui Ma , Siwei Wang , Miao Wang , Zhao Lv

In the landscape of generative artificial intelligence, diffusion-based models have emerged as a promising method for generating synthetic images. However, the application of diffusion models poses numerous challenges, particularly…

Machine Learning · Computer Science 2026-05-04 Simeon Allmendinger , Domenique Zipperling , Lukas Struppek , Niklas Kühl

The rise of Artificial Intelligence creates great promise in the field of medical discovery, diagnostics and patient management. However, the vast complexity of all medical domains require a more complex approach that combines machine…

Computation and Language · Computer Science 2025-03-28 Dimitrios P. Panagoulias , Evridiki Tsoureli-Nikita , Maria Virvou , George A. Tsihrintzis

AI tools are being deployed over MBSE models today, and those models were not designed for this kind of consumption. The problem is not simply that tools hallucinate: well-prompted frontier models produce competent, useful output over a…

Software Engineering · Computer Science 2026-04-29 Siyuan Ji

The integration of Large Language Models (LLMs) into multiagent systems has opened new possibilities for collaborative reasoning and cooperation with AI agents. This paper explores different prompting methods and evaluates their…

The Production and Distributed Analysis (PanDA) system, originally developed for the ATLAS experiment at the CERN Large Hadron Collider (LHC), has evolved into a robust platform for orchestrating large-scale workflows across distributed…

Biology is at the precipice of a new era where AI accelerates and amplifies the ability to study how cells operate, organize, and work as systems, revealing why disease happens and how to correct it. Organizations globally are prioritizing…

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and…

Instrumentation and Methods for Astrophysics · Physics 2025-04-07 Adam Moss

Humans often rely on underlying structural patterns-schemas-to create, whether by writing stories, designing software, or composing music. Schemas help organize ideas and guide exploration, but they are often difficult to discover and…

Human-Computer Interaction · Computer Science 2025-08-08 Sitong Wang

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Artificial intelligence (AI) advancements over the past few years have had an unprecedented and revolutionary impact across everyday application areas. Its significance also extends to technical challenges within science and engineering,…

Divergent thinking in the ideation stage of creative problem-solving demands that individuals explore a broad design space. Yet this exploration rarely follows a neat, linear sequence; problem-solvers constantly shift among searching,…

Human-Computer Interaction · Computer Science 2025-09-26 Yaqing Yang , Vikram Mohanty , Nikolas Martelaro , Aniket Kittur , Yan-Ying Chen , Matthew K. Hong

This paper presents some of the current challenges in designing deep learning artificial intelligence (AI) and integrating it with traditional high-performance computing (HPC) simulations. We evaluate existing packages for their ability to…

Driven by the rapid ascent of artificial intelligence (AI), organizations are at the epicenter of a seismic shift, facing a crucial question: How can AI be successfully integrated into existing operations? To help answer it, manage…

Software Engineering · Computer Science 2024-02-09 Tamen Jadad-Garcia , Alejandro R. Jadad