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VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences ( IF 5 ) Pub Date : 2021-03-29 , DOI: 10.1098/rsta.2020.0221
D Groen 1, 2 , H Arabnejad 1 , V Jancauskas 3 , W N Edeling 4 , F Jansson 4, 5 , R A Richardson 2, 6 , J Lakhlili 7 , L Veen 6 , B Bosak 8 , P Kopta 8 , D W Wright 2 , N Monnier 9 , P Karlshoefer 9 , D Suleimenova 1 , R Sinclair 2 , M Vassaux 2 , A Nikishova 10 , M Bieniek 2 , Onnie O Luk 7 , M Kulczewski 8 , E Raffin 9 , D Crommelin 4, 11 , O Hoenen 7 , D P Coster 7 , T Piontek 8 , P V Coveney 2, 10
Affiliation  

We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable and reusable procedures for verification, validation (V&V), sensitivity analysis (SA) and uncertainty quantication (UQ). It enables users to verify key aspects of their applications, systematically compare and validate the simulation outputs against observational or benchmark data, and run simulations conveniently on any platform from the desktop to current multi-petascale computers. In this sequel to our paper on VECMAtk which we presented last year [1] we focus on a range of functional and performance improvements that we have introduced, cover newly introduced components, and applications examples from seven different domains such as conflict modelling and environmental sciences. We also present several implemented patterns for UQ/SA and V&V, and guide the reader through one example concerning COVID-19 modelling in detail.

This article is part of the theme issue ‘Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification in silico’.



中文翻译:

VECMAtk:用于科学模拟的可扩展验证、确认和不确定性量化工具包

我们展示了 VECMA 工具包 (VECMatk),这是一种用于单尺度和多尺度模拟的灵活软件环境,它为验证、确认 (V&V)、灵敏度分析 (SA) 和不确定性量化 (UQ) 引入了直接适用和可重复使用的程序。它使用户能够验证其应用程序的关键方面,系统地将模拟输出与观测或基准数据进行比较和验证,并在从桌面到当前多 PB 级计算机的任何平台上方便地运行模拟。在我们去年发表的关于 VECMAtk 的论文的续篇 [1] 中,我们重点介绍了我们引入的一系列功能和性能改进,涵盖了新引入的组件以及来自七个不同领域(如冲突建模和环境科学)的应用示例.

本文是主题问题“计算科学中的可靠性和再现性:在计算机中实现验证、确认和不确定性量化的一部分。

更新日期:2021-03-29
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