Related papers: Reproducible Workflow on a Public Cloud for Comput…
We introduce Repro, an open-source library which aims at improving the reproducibility and usability of research code. The library provides a lightweight Python API for running software released by researchers within Docker containers which…
Complex workflows play a critical role in accelerating scientific discovery. In many scientific domains, efficient workflow management can lead to faster scientific output and broader user groups. Workflows that can leverage resources…
Scientific workflows have become essential for orchestrating complex computational processes across distributed resources, managing large datasets, and ensuring reproducibility in modern research. The Workflows Community Summit 2025, held…
Modern technologies are enabling scientists to collect extraordinary amounts of complex and sophisticated data across a huge range of scales like never before. With this onslaught of data, we can allow the focal point to shift towards…
Cloud computing provisions computer resources at a cost-effective way based on demand. Therefore it has become a viable solution for big data analytics and artificial intelligence which have been widely adopted in various domain science.…
Hybrid quantum-classical workflows combine quantum processing units (QPUs) with classical hardware to address computational tasks that are challenging or infeasible for conventional systems alone. Coordinating these heterogeneous resources…
Computational notebooks are notoriously prone to reproducibility failures. By permitting out-of-order cell execution, notebooks accumulate hidden state and implicit dependencies that cause interactive executions to silently diverge from…
This paper investigates the reproducibility of computational science research and identifies key challenges facing the community today. It is the result of the First Summer School on Experimental Methodology in Computational Science…
It is recommended that teacher-scholars of data science adopt reproducible workflows in their research as scholars and teach reproducible workflows to their students. In this paper, we propose a third dimension to reproducibility practices…
The reproduction and replication of research results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the challenges closely revolve around…
Applications that fuse machine learning and simulation can benefit from the use of multiple computing resources, with, for example, simulation codes running on highly parallel supercomputers and AI training and inference tasks on…
The constant growth in the present day real-world databases pose computational challenges for a single computer. Cloud-based platforms, on the other hand, are capable of handling large volumes of information manipulation tasks, thereby…
In recent decades the analysis of data has become increasingly computational. Correspondingly, this has changed how scientific and statistical work is shared. For example, it is now commonplace for underlying analysis code and data to be…
Modern science clearly demands for a higher level of reproducibility and collaboration. To make research fully reproducible one has to take care of several aspects: research protocol description, data access, environment preservation,…
A computational workflow, also known as workflow, consists of tasks that must be executed in a specific order to attain a specific goal. Often, in fields such as biology, chemistry, physics, and data science, among others, these workflows…
Quantum-centric supercomputing (QCSC) workflows often involve hybrid classical-quantum algorithms that are inherently probabilistic and executed on remote quantum hardware, making them difficult to interpret and limiting the ability to…
Cloud Computing is rising fast, with its data centres growing at an unprecedented rate. However, this has come with concerns over privacy, efficiency at the expense of resilience, and environmental sustainability, because of the dependence…
Scientific workflow has become essential in software engineering because it provides a structured approach to designing, executing, and analyzing scientific experiments. Software developers and researchers have developed hundreds of…
As software has become an integral part of scientific workflows, reproducible research practices must take it into account. In what way? Archiving source code is a necessary but insufficient condition. The ability to redeploy software…
In this article we look at the potential of cloud containers and we provide some guidelines for companies and organisations that are starting to look at how to migrate their legacy infrastructure to something modern, reliable and scalable.…