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Workflows are critical for scientific discovery. However, the sophistication, heterogeneity, and scale of workflows make building, testing, and optimizing them increasingly challenging. Furthermore, their complexity and heterogeneity make…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-28 Ozgur Ozan Kilic , Tianle Wang , Matteo Turilli , Mikhail Titov , Andre Merzky , Line Pouchard , Shantenu Jha

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

With the emergence of large language models (LLMs) and AI agent frameworks, the human-AI co-work paradigm known as Vibe Coding is changing how people code, making it more accessible and productive. In scientific research, where workflows…

Artificial Intelligence · Computer Science 2026-04-28 Zihao Wu , Steven Xu , Bowen Chen , Shaowen Wan , Yiwei Li , Wei Ruan , Yanjun Lyu , Siyuan Li , Dajiang Zhu , Tianming Liu , Lin Zhao

Scientific workflows facilitate computational, data manipulation, and sometimes visualization steps for scientific data analysis. They are vital for reproducing and validating experiments, usually involving computational steps in scientific…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-22 Jinli Duan , Shasha Dennis

The development and deployment of safe and dependable AI models is crucial in applications where functional safety is a key concern. Given the rapid advancement in AI research and the relative novelty of the safe-AI domain, there is an…

Software Engineering · Computer Science 2025-03-21 Suzana Veljanovska , Hans Dermot Doran

All sciences, including astronomy, are now entering the era of information abundance. The exponentially increasing volume and complexity of modern data sets promises to transform the scientific practice, but also poses a number of common…

Astrophysics · Physics 2016-11-17 S. G. Djorgovski

The ability to repeat the experiments from a research study and obtain similar results is a corner stone in experiment-based scientific discovery. This essential feature has been often ignored by the distributed computing and networking…

Networking and Internet Architecture · Computer Science 2014-10-08 Thierry Rakotoarivelo , Guillaume Jourjon , Olivier Mehani , Maximilian Ott , Mike Zink

The Collaborative Analysis Versioning Environment System (CAVES) project concentrates on the interactions between users performing data and/or computing intensive analyses on large data sets, as encountered in many contemporary scientific…

Data Analysis, Statistics and Probability · Physics 2007-05-23 Dimitri Bourilkov

Artificial intelligence (AI) has been increasingly applied in scientific activities for decades; however, it is still far from an insightful and trustworthy collaborator in the scientific process. Most existing AI methods are either too…

Artificial Intelligence · Computer Science 2022-02-08 Morad Behandish , John Maxwell , Johan de Kleer

As quantum computing advances from theoretical promise to experimental reality, the need for rigorous experiment tracking becomes critical. Drawing inspiration from best practices in machine learning (ML) and artificial intelligence (AI),…

Quantum Physics · Physics 2025-07-10 Mahee Gamage , Otso Kinanen , Jake Muff , Vlad Stirbu

There is a need for remote learning and virtual learning applications such as virtual reality (VR) and tablet-based solutions which the current pandemic has demonstrated. Creating complex learning scenarios by developers is highly…

Artificial Intelligence · Computer Science 2021-06-18 Claire Palmer , Ben Roullier , Muhammad Aamir , Leonardo Stella , Uchenna Diala , Ashiq Anjum , Frank Mcquade , Keith Cox , Alex Calvert

Automated scientific discovery promises to accelerate progress across scientific domains. However, developing and evaluating an AI agent's capacity for end-to-end scientific reasoning is challenging as running real-world experiments is…

A long-term goal of AI research is to build intelligent agents that can communicate with humans in natural language, perceive the environment, and perform real-world tasks. Vision-and-Language Navigation (VLN) is a fundamental and…

Computer Vision and Pattern Recognition · Computer Science 2022-06-07 Jing Gu , Eliana Stefani , Qi Wu , Jesse Thomason , Xin Eric Wang

The extraordinarily high X-ray flux and specialized instrumentation at synchrotron beamlines have enabled versatile in-situ and high throughput studies that are impossible elsewhere. Dexterous and efficient control of experiments are thus…

Computation and Language · Computer Science 2023-12-29 Daniel Potemkin , Carlos Soto , Ruipeng Li , Kevin Yager , Esther Tsai

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…

Many existing scientific workflows require High Performance Computing environments to produce results in a timely manner. These workflows have several software library components and use different environments, making the deployment and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-26 Liliane Kunstmann , Débora Pina , Daniel de Oliveira , Marta Mattoso

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

With a growing demand for accurate ion beam analysis on a large number of samples, it becomes an issue of how to ensure the quality standards and consistency over hundreds or thousands of samples. In this sense, a virtual assistant that…

The complexity of the data generated by (magneto)-hydrodynamic (HD/MHD) simulations requires advanced tools for their analysis and visualization. The dramatic improvements in virtual reality (VR) technologies have inspired us to seek the…

Human-Computer Interaction · Computer Science 2023-08-09 S. Orlando , M. Miceli , U. Lo Cicero , S. Ustamujic

In today's world, where societal challenges in the areas of digitalization, demographic change and sustainability are becoming increasingly complex, new innovation structures are needed to meet these challenges. Living Labs or also Real…

Software Engineering · Computer Science 2023-07-28 Troung Giang Luu , Tanja Zylowski , Sascha Alpers , Andreas Oberweis