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Advances in high-throughput simulation (HTS) software enabled computational databases and big data to become common resources in materials science. However, while computational power is increasingly larger, software packages orchestrating…

Computational Physics · Physics 2023-12-22 Daniel Schwalbe-Koda

A workflow describes the entirety of processing steps in an analysis, such as employed in many fields of physics. Workflow management makes the dependencies between individual steps of a workflow and their computational requirements…

Data Analysis, Statistics and Probability · Physics 2023-09-15 Caspar Schmitt , Boyang Yu , Thomas Kuhr

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

In this paper we present a workflow management system which permits the kinds of data-driven workflows required by urgent computing, namely where new data is integrated into the workflow as a disaster progresses in order refine the…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-10-26 Gordon P. S. Gibb , Nick Brown , Rupert W , Nash , Miguel Mendes , Santiago Monedero , Humberto Díaz Fidalgo , Joaquín Ramírez Cisneros , Adrián Cardil , Max Kontak

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…

We consider a natural scheduling problem which arises in many distributed computing frameworks. Jobs with diverse resource requirements (e.g. memory requirements) arrive over time and must be served by a cluster of servers, each with a…

Networking and Internet Architecture · Computer Science 2019-01-21 Konstantinos Psychas , Javad Ghaderi

Molecular dynamics (MD) simulations are widely used to study large-scale molecular systems. HPC systems are ideal platforms to run these studies, however, reaching the necessary simulation timescale to detect rare processes is challenging,…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-08-22 Tu Mai Anh Do , Loïc Pottier , Rafael Ferreira da Silva , Frédéric Suter , Silvina Caíno-Lores , Michela Taufer , Ewa Deelman

Over the past 40 years, database management systems (DBMSs) have evolved to provide a sophisticated variety of data management capabilities. At the same time, tools for managing queries over the data have remained relatively primitive. One…

Databases · Computer Science 2009-09-15 Nodira Khoussainova , Magda Balazinska , Wolfgang Gatterbauer , YongChul Kwon , Dan Suciu

The JIRIAF (JLab Integrated Research Infrastructure Across Facilities) framework is designed to streamline resource management and optimize high-performance computing (HPC) workloads across heterogeneous environments. Central to JIRIAF is…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-27 Vardan Gyurjyan , Graham Heyes , Christopher Larrieu , David Lawrence , Jeng-Yuan Tsai

The increasing proliferation of IoT devices and AI applications has created a demand for scalable and efficient computing solutions, particularly for applications requiring real-time processing. The compute continuum integrates edge and…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-10-14 Negin Akbari , John Grundy , Aamir Cheema , Adel N. Toosi

When designing multidisciplinary tool workflows in visual development environments, researchers and engineers often combine simulation tools which serve a functional purpose and helper tools that merely ensure technical compatibility by,…

Software Engineering · Computer Science 2021-12-01 Dominik Schneider , Alexander Weinert

The importance of workflows is highlighted by the fact that they have underpinned some of the most significant discoveries of the past decades. Many of these workflows have significant computational, storage, and communication demands, and…

Machine Learning Operations (MLOps) is becoming a highly crucial part of businesses looking to capitalize on the benefits of AI and ML models. This research presents a detailed review of MLOps, its benefits, difficulties, evolutions, and…

Software Engineering · Computer Science 2023-06-01 A. I. Ullah Tabassam

The aim of this paper is to carry out a systematic analysis of the literature to show the state of the art of Business Processes Management Systems (BPMS). BPMS represents a technology that automates business processes connecting users with…

General Economics · Economics 2023-12-04 Alicia Martin-Navarro , Maria Paula Lechuga Sancho , Jose Aurelio Medina-Garrido

Data processing pipelines need to be executed at scales ranging from small runs up through large production data release runs resulting in millions of data products. As part of the Rubin Observatory's pipeline execution system, BPS is the…

Instrumentation and Methods for Astrophysics · Physics 2022-11-30 Michelle Gower , Mikolaj Kowalik , Nate B. Lust , James F. Bosch , Tim Jenness

Many organizations routinely analyze large datasets using systems for distributed data-parallel processing and clusters of commodity resources. Yet, users need to configure adequate resources for their data processing jobs. This requires…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-02 Lauritz Thamsen , Dominik Scheinert , Jonathan Will , Jonathan Bader , Odej Kao

To process a large amount of data sequentially and systematically, proper management of workflow components (i.e., modules, data, configurations, associations among ports and links) in a Scientific Workflow Management System (SWfMS) is…

Information Retrieval · Computer Science 2020-10-13 Debasish Chakroborti , Banani Roy , Sristy Sumana Nath

Recent advances in large language models (LLMs) transform how machine learning (ML) pipelines are developed and evaluated. LLMs enable a new type of workload, agentic pipeline search, in which autonomous or semi-autonomous agents generate,…

Databases · Computer Science 2026-03-06 Arnab Phani , Elias Strauss , Sebastian Schelter

Electronic structure simulation (ESS) has been used for decades to provide quantitative scientific insights on an atomistic scale, enabling advances in chemistry, biology, and materials science, among other disciplines. Following standard…

Machine Learning · Computer Science 2024-06-06 Hatem Helal , Andrew Fitzgibbon

Workflows provide an expressive programming model for fine-grained control of large-scale applications in distributed computing environments. Accurate estimates of complex workflow execution metrics on large-scale machines have several key…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-18 Alok Singh , Mai Nguyen , Shweta Purawat , Daniel Crawl , Ilkay Altintas