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Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

机器学习 · 计算机科学 2024-12-24 Chandan K Reddy , Parshin Shojaee

In the era of data-driven science, conducting computational experiments that involve analysing large datasets using heterogeneous computational clusters, is part of the everyday routine for many scientists. Moreover, to ensure the…

分布式、并行与集群计算 · 计算机科学 2022-03-23 Thanasis Vergoulis , Konstantinos Zagganas , Loukas Kavouras , Martin Reczko , Stelios Sartzetakis , Theodore Dalamagas

Fast, incremental evolution of physics instrumentation raises the question of efficient software abstraction and transferability of algorithms across similar technologies. This contribution aims to provide an answer by introducing Track…

仪器与探测器 · 物理学 2024-01-08 Petr Mánek , Petr Burian , Eric David-Bosne , Petr Smolyanskiy , Benedikt Bergmann

Context: Jupyter Notebook has emerged as a versatile tool that transforms how researchers, developers, and data scientists conduct and communicate their work. As the adoption of Jupyter notebooks continues to rise, so does the interest from…

软件工程 · 计算机科学 2026-01-06 Md Saeed Siddik , Hao Li , Cor-Paul Bezemer

One of the foundations of science is that researchers must publish the methodology used to achieve their results so that others can attempt to reproduce them. This has the added benefit of allowing methods to be adopted and adapted for…

数据库 · 计算机科学 2014-06-05 Paolo Missier , Simon Woodman , Hugo Hiden , Paul Watson

Quantum computing proposes a revolutionary paradigm that can radically transform numerous scientific and industrial application domains. To realize this promise, these new capabilities need software solutions that are able to effectively…

量子物理 · 物理学 2025-07-11 Otso Kinanen , Andrés D. Muñoz-Moller , Vlad Stirbu , Tommi Mikkonen

Emerging data-driven scientific workflows are seeking to leverage distributed data sources to understand end-to-end phenomena, drive experimentation, and facilitate important decision-making. Despite the exponential growth of available…

分布式、并行与集群计算 · 计算机科学 2024-06-10 Manish Parashar

The rising popularity of computational workflows is driven by the need for repetitive and scalable data processing, sharing of processing know-how, and transparent methods. As both combined records of analysis and descriptions of processing…

The transformations, analyses and interpretations of data in scientific workflows are vital for the repeatability and reliability of scientific workflows. This provenance of scientific workflows has been effectively carried out in Grid…

数据库 · 计算机科学 2016-11-18 Khawar Hasham , Kamran Munir , Jetendr Shamdasani , Richard McClatchey

The increasing availability of cloud computing services for science has changed the way scientific code can be developed, deployed, and run. Many modern scientific workflows are capable of running on cloud computing resources. Consequently,…

分布式、并行与集群计算 · 计算机科学 2020-06-11 Peter Vaillancourt , Bennett Wineholt , Brandon Barker , Plato Deliyannis , Jackie Zheng , Akshay Suresh , Adam Brazier , Rich Knepper , Rich Wolski

In recent years, the research community, but also the general public, has raised serious questions about the reproducibility and replicability of scientific work. Since many studies include some kind of computational work, these issues are…

软件工程 · 计算机科学 2025-03-14 Lázaro Costa , Susana Barbosa , Jácome Cunha

Science reproducibility is a cornerstone feature in scientific workflows. In most cases, this has been implemented as a way to exactly reproduce the computational steps taken to reach the final results. While these steps are often…

分布式、并行与集群计算 · 计算机科学 2019-05-21 Karan Vahi , Mats Rynge , George Papadimitriou , Duncan A. Brown , Rajiv Mayani , Rafael Ferreira da Silva , Ewa Deelman , Anirban Mandal , Eric Lyons , Michael Zink

Open-source scientific software is abundant, yet most tools remain difficult to compile, configure, and reuse, sustaining a small-workshop mode of scientific computing. This deployment bottleneck limits reproducibility, large-scale…

软件工程 · 计算机科学 2026-01-08 Yi Wang , Zhenting Huang , Zhaohan Ding , Ruoxue Liao , Yuan Huang , Xinzijian Liu , Jiajun Xie , Siheng Chen , Linfeng Zhang

Artificial intelligence (AI) is reshaping education, scientific training, and materials discovery. In materials science, AI models increasingly support property prediction, experiment prioritization, and hypothesis generation; however, the…

物理教育 · 物理学 2026-05-12 Dongming Mei , Katherine Moore , Ben Sayler

Experimental science is increasingly driven by instruments that produce vast volumes of data and thus a need to manage, compute, describe, and index this data. High performance and distributed computing provide the means of addressing the…

分布式、并行与集群计算 · 计算机科学 2024-03-12 Jim Pruyne , Valerie Hayot-Sasson , Weijian Zheng , Ryan Chard , Justin M. Wozniak , Tekin Bicer , Kyle Chard , Ian T. Foster

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to…

计算与语言 · 计算机科学 2025-10-01 Yixuan Weng , Minjun Zhu , Qiujie Xie , Qiyao Sun , Zhen Lin , Sifan Liu , Yue Zhang

Scientific research increasingly relies on distributed computational resources, storage systems, networks, and instruments, ranging from HPC and cloud systems to edge devices. Event-driven architecture (EDA) benefits applications targeting…

分布式、并行与集群计算 · 计算机科学 2024-10-01 Haochen Pan , Ryan Chard , Sicheng Zhou , Alok Kamatar , Rafael Vescovi , Valérie Hayot-Sasson , André Bauer , Maxime Gonthier , Kyle Chard , Ian Foster

Considerable scientific work involves locating, analyzing, systematizing, and synthesizing other publications. Its results end up in a paper's "background" section or in standalone articles, which include meta-analyses and systematic…

数字图书馆 · 计算机科学 2023-12-05 Diomidis Spinellis

Artificial intelligence (AI) tools are being incorporated into scientific research workflows with the potential to enhance efficiency in tasks such as document analysis, question answering (Q&A), and literature search. However, system…

人工智能 · 计算机科学 2026-05-13 Anthea Dathe , Kiran Hoffmann , Aline Mangold

Notebooks provide an author-friendly environment for iterative development, modular execution, and easy sharing. Distributed workflows are increasingly being authored and executed in notebooks, yet sharing and reproducing them remains…

软件工程 · 计算机科学 2026-03-31 Talha Azaz , Raza Ahmad , Md Saiful Islam , Douglas Thain , Tanu Malik