English
Related papers

Related papers: AiiDA 1.0, a scalable computational infrastructure…

200 papers

Hybrid workflows combining traditional HPC and novel ML methodologies are transforming scientific computing. This paper presents the architecture and implementation of a scalable runtime system that extends RADICAL-Pilot with service-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-03-18 Andre Merzky , Mikhail Titov , Matteo Turilli , Ozgur Kilic , Tianle Wang , Shantenu Jha

The collaborative efforts of large communities in science experiments, often comprising thousands of global members, reflect a monumental commitment to exploration and discovery. Recently, advanced and complex data processing has gained…

The emergence of Cloud computing provides a new computing paradigm for scientific workflow execution. It provides dynamic, on-demand and scalable resources that enable the processing of complex workflow-based experiments. With the ever…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-20 Khawar Hasham , Kamran Munir , Richard McClatchey

User simulation is a valuable methodology for evaluation in Information Retrieval (IR), enabling low-cost experimentation and counterfactual analysis. However, existing simulation frameworks are primarily code-centric libraries that require…

Information Retrieval · Computer Science 2026-04-28 Saber Zerhoudi , Adam Roegiest , Michael Granitzer

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…

Databases · Computer Science 2014-06-05 Paolo Missier , Simon Woodman , Hugo Hiden , Paul Watson

The integration of Artificial Intelligence (AI) into clinical workflows requires robust collaborative platforms that are able to bridge the gap between technical innovation and practical healthcare applications. This paper introduces MAIA…

Artificial Intelligence · Computer Science 2025-07-29 Simone Bendazzoli , Sanna Persson , Mehdi Astaraki , Sebastian Pettersson , Vitali Grozman , Rodrigo Moreno

Over the past decade alongside increased focus on computational reproducibility significant efforts have been made to define reproducibility. However, these definitions provide a textual description rather than a framework. The community…

Computational Engineering, Finance, and Science · Computer Science 2026-01-06 Meznah Aloqalaa , Stian Soiland-Reyes , Carole Goble

Compound AI systems, orchestrating multiple AI components and external APIs, are increasingly vital but face challenges in managing complexity, handling ambiguity, and enabling effective development workflows. Existing frameworks often…

Artificial Intelligence · Computer Science 2025-04-08 Helena Zhang , Jakobi Haskell , Yosef Frost

The rapidly growing demand for high-quality data in Large Language Models (LLMs) has intensified the need for scalable, reliable, and semantically rich data preparation pipelines. However, current practices remain dominated by ad-hoc…

As AI-driven document understanding and processing tools become increasingly prevalent in real-world applications, the need for rigorous evaluation standards has grown increasingly urgent. Existing benchmarks and evaluations often focus on…

Large-scale scientific collaborations like ATLAS, Belle II, CMS, DUNE, and others involve hundreds of research institutes and thousands of researchers spread across the globe. These experiments generate petabytes of data, with volumes soon…

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. DOE Exascale Computing Project have been tackling new frontiers…

Large scale projects increasingly operate in complicated settings whilst drawing on an array of complex data-points, which require precise analysis for accurate control and interventions to mitigate possible project failure. Coupled with a…

Computers and Society · Computer Science 2021-04-20 Nicholas Dacre , Fredrik Kockum , PK Senyo

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-06 Irene Bonati , Silvina Caino-Lores , Tainã Coleman , Sagar Dolas , Sandro Fiore , Venkatesh Kannan , Marco Verdicchio , Sean R. Wilkinson , Rafael Ferreira da Silva

Open-source EDA shows promising potential in unleashing EDA innovation and lowering the cost of chip design. This paper presents an open-source EDA project, iEDA, aiming for building a basic infrastructure for EDA technology evolution and…

Parallel dataflow systems are a central part of most analytic pipelines for big data. The iterative nature of many analysis and machine learning algorithms, however, is still a challenge for current systems. While certain types of bulk…

Databases · Computer Science 2012-08-02 Stephan Ewen , Kostas Tzoumas , Moritz Kaufmann , Volker Markl

We discuss here our vision for an Open-Science platform for computational Materials Science. Such a platform needs to rely on three pillars, consisting of 1) open data generation tools (including the simulation codes, the scientific…

Materials Science · Physics 2021-07-21 Giovanni Pizzi

Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and…

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…

In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable computing resources and automated workflow management on…