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A Workflow for Increasing the Quality of Scientific Software

Tomislav Maric, Jan-Patrick Lehr, Ioannis Papagiannidis, Benjamin Lambie, Dieter Bothe, Christian Bischof
2021 Zenodo  
The proposed workflow increases the quality of research software in Computational Science and Engineering (CSE) by applying established software engineering practices extended with CSE-specific testing  ...  , visualization, and periodical cross-linking of scientific software, reports/publications, and datasets.  ...  A Workflow for Increasing the Quality of Scientific Software (in Computational Science and Engineering) -T. Marić, JP. Lehr, I. Pappagianidis, B. Lambie, D. Bothe, C.  ... 
doi:10.5281/zenodo.4668438 fatcat:aln324a67vfk7gdv435bcg3sre

Research and Education in Computational Science and Engineering [article]

Ulrich Rüde, Karen Willcox, Lois Curfman McInnes, Hans De Sterck, George Biros, Hans Bungartz, James Corones, Evin Cramer, James Crowley, Omar Ghattas, Max Gunzburger, Michael Hanke, Robert Harrison (+20 others)
2018 arXiv   pre-print
Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the  ...  Over the past two decades the field of computational science and engineering (CSE) has penetrated both basic and applied research in academia, industry, and laboratories to advance discovery, optimize  ...  Acknowledgments 35 Acknowledgments This report is an outcome of a workshop in August 2014 on Future Directions in CSE Education and Research, sponsored by the Society for Industrial and Applied Mathematics  ... 
arXiv:1610.02608v4 fatcat:7qiqiajd7vcstditmztqxwwtx4

Research and Education in Computational Science and Engineering

Ulrich Rüde, Karen Willcox, Lois Curfman McInnes, Hans De Sterck
2018 SIAM Review  
Mathematics-based advanced computing has become a prevalent means of discovery and innovation in essentially all areas of science, engineering, technology, and society; and the CSE community is at the  ...  This report presents challenges, opportunities and directions for computational science and engineering (CSE) research and education for the next decade.  ...  This report is an outcome of a workshop in August 2014 on Future Directions in CSE Education and Research, sponsored by the Society for Industrial and Applied Mathematics (http://www.siam.org) and the  ... 
doi:10.1137/16m1096840 pmid:30287973 pmcid:PMC6168210 fatcat:uogrxxc4bvdxlnmeo7racudchi

Provenance Data in the Machine Learning Lifecycle in Computational Science and Engineering [article]

Renan Souza, Leonardo Azevedo, Vítor Lourenço, Elton Soares, Raphael Thiago, Rafael Brandão, Daniel Civitarese, Emilio Vital Brazil, Marcio Moreno, Patrick Valduriez, Marta Mattoso, Renato Cerqueira, Marco A. S. Netto
2019 arXiv   pre-print
In Computational Science and Engineering (CSE), the complexity of the ML lifecycle comes from the large variety of data, scientists' expertise, tools, and workflows.  ...  W3C PROV and ML Schema; and extensions to a system that tracks provenance from multiple workflows to address the characteristics of ML and CSE, and to allow for provenance queries with a standard vocabulary  ...  ACKNOWLEDGMENT We thank Marcelo Costalonga and Daniela Szwarcman from IBM Research Brazil for their help, and the WORKS19 anonymous reviewers for their valuable feedback.  ... 
arXiv:1910.04223v2 fatcat:kqalpetlarecrlqbcsiatrcpoi

Provenance Data in the Machine Learning Lifecycle in Computational Science and Engineering

Renan Souza, Patrick Valduriez, Marta Mattoso, Renato Cerqueira, Marco Netto, Leonardo Azevedo, Vitor Lourenco, Elton Soares, Raphael Thiago, Rafael Brandao, Daniel Civitarese, Emilio Brazil (+1 others)
2019 2019 IEEE/ACM Workflows in Support of Large-Scale Science (WORKS)  
In Computational Science and Engineering (CSE), the complexity of the ML lifecycle comes from the large variety of data, scientists' expertise, tools, and workflows.  ...  W3C PROV and ML Schema; and extensions to a system that tracks provenance from multiple workflows to address the characteristics of ML and CSE, and to allow for provenance queries with a standard vocabulary  ...  ACKNOWLEDGMENT The authors would like to thank Marcelo Costalonga and Daniela Szwarcman for their help. This work was partially funded by CNPq, FAPERJ, and Inria Associated Team SciDISC.  ... 
doi:10.1109/works49585.2019.00006 dblp:conf/sc/SouzaVMCNALSTBC19 fatcat:w7wnh4arnnfb5ixnjap4iryb7a

Parameter Exploration in Science and Engineering Using Many-Task Computing

D Abramson, B Bethwaite, C Enticott, S Garic, T Peachey
2011 IEEE Transactions on Parallel and Distributed Systems  
Further, scientific workflow engines facilitate the specification and execution of complex software pipelines, such as those found in real science and engineering design problems.  ...  In this paper we discuss Nimrod/K -a set of add in components and a new run time machine for a general workflow engine, Kepler.  ...  We also acknowledge the US NSF funded PRIME project, (supporting Amirriazi and Chitters) and thank colleagues, in particular Peter Arzberger, for their strong support.  ... 
doi:10.1109/tpds.2010.177 fatcat:l3zisflzdneongdiazefguyg6m

Basic research in computer science and software engineering at SKLCS

Jian Zhang, Wenhui Zhang, Naijun Zhan, Yidong Shen, Haiming Chen, Yunquan Zhang, Yongji Wang, Enhua Wu, Hongan Wang, Xueyang Zhu
2008 Frontiers of Computer Science in China  
The State Key Laboratory of Computer Science (SKLCS) is committed to basic research in computer science and software engineering.  ...  The research topics of the laboratory include: concurrency theory, theory and algorithms for real-time systems, formal specifications based on context-free grammars, semantics of programming languages,  ...  ., Basic research in computer science and software engineering at SKLCS Front. Comput. Sci. China, 2008, 2(1)  ... 
doi:10.1007/s11704-008-0001-3 fatcat:zgeczciftbc47o5atyg27ingvi

Challenges for Verifying and Validating Scientific Software in Computational Materials Science

Thomas Vogel, Stephan Druskat, Markus Scheidgen, Claudia Draxl, Lars Grunske
2019 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science (SE4Science)  
In this paper we are investigating the impact of quality assurance in the domain of computational materials science (CMS).  ...  For valid results researchers need to trust the results scientific software produces, and consequently quality assurance is of utmost importance.  ...  Therefore, increasing the confidence of scientists in computational results requires quality assurance techniques which can be applied to scientific software packages a-posteriori and in an automated manner  ... 
doi:10.1109/se4science.2019.00010 dblp:conf/icse/0001DSDG19 fatcat:lpnmxyoxx5gp5cd3e2a5mzsdpq

META-HEURISTICS TECHNIQUES IN CLOUD COMPUTING: APPLICATIONS AND CHALLENGES

Manoj Kumar, Suman
2021 Indian Journal of Computer Science and Engineering  
The transformation of data and services towards cloud has reduced the increased expenditure on hardware and software in the market.  ...  The applications of these algorithms in load balancing, scheduling, resource allocation, virtual machine allocation, and placement have been discussed and analyzed in cloud computing.  ...  Quantum computing will also knock cloud by increasing the speed and quality of service to users.  ... 
doi:10.21817/indjcse/2021/v12i2/211202055 fatcat:zkbrbegn2rfall5w3e4ovvarwq

Assessment of Ant Colony Optimization Algorithm for DAG Task Scheduling in Cloud Computing

Nithyanandakumari .K
2020 International Journal of Advanced Trends in Computer Science and Engineering  
The quality of task scheduling plays vital role towards the trust to use the services of cloud computing.  ...  Optimal allocation of resource to a set of tasks follows a workflow schedule and it is an important step to improve the overall performance of the cloud.  ...  Trends in Computer Science and Engineering, 9(4), July -August 2020, 5278 -5286  ... 
doi:10.30534/ijatcse/2020/159942020 fatcat:l3d5t6htwfbt7mhgw6e43xw3my

Community-Cyberinfrastructure-Enabled Discovery in Science and Engineering

Ahmed K. Elmagarmid, Arjmand Samuel, Mourad Ouzzani
2008 Computing in science & engineering (Print)  
Cyber infrastructure for discovery in science and engineering has not only enhanced the process of discovery but has also enabled new venues for discovery including systems biology, ecosystem modeling,  ...  The transition from enhancing to enabling discovery in science and engineering has led to what we term the Silicon Shift.  ...  GEON has developed a shared cyber infrastructure for Earth Sciences research as well as learning at the K-12 and professional levels.  ... 
doi:10.1109/mcse.2008.111 fatcat:kgxvkxciuneizfqescd2m2k45u

Containers for Portable, Productive, and Performant Scientific Computing

Jack S. Hale, Lizao Li, Christopher N. Richardson, Garth N. Wells
2017 Computing in science & engineering (Print)  
We examine Linux container technology for the distribution of a non-trivial scientific computing software stack and its execution on a spectrum of platforms from laptop computers through to high performance  ...  Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing.  ...  Acknowledgements We thank Linh Nguyen (Melior Innovations) and the National Energy Research Scientific Computing Center (NERSC) for their assistance in using Edison, and Don Bahls at Cray for advice on  ... 
doi:10.1109/mcse.2017.2421459 fatcat:dapnb4e52za75edejkbfjfna74

Trustworthy Computational Evidence Through Transparency and Reproducibility

Lorena A. Barba, Lorena A. Barba, George K. Thiruvathukal
2021 Computing in science & engineering (Print)  
In 2020, the societal issue of greatest concern, the still-raging COVID-19 pandemic, saw a legion of computational scientists turning their endeavors to new research projects in this direction.  ...  Applications of such high consequence highlight the need for building trustworthy computational models.  ...  Scheme for Reproducibility in the Computational and Computing Sciences.  ... 
doi:10.1109/mcse.2020.3048406 fatcat:vuqyvzkbdvcztcov556reuo6ra

Provenance: The Bridge Between Experiments and Data

Simon Miles, Paul Groth, Ewa Deelman, Karan Vahi, Gaurang Mehta, Luc Moreau
2008 Computing in science & engineering (Print)  
The automation of this step and of the workflow enactment, hides the details of how results have been produced.  ...  Current scientific applications are often structured as workflows and rely on workflow systems to compile abstract experiment designs into enactable workflows that utilise the best available resources.  ...  We therefore require a generic software system for determining the provenance of data. We developed such a system in the PASOA project [1, 9] , and describe it below.  ... 
doi:10.1109/mcse.2008.82 fatcat:q2yrpgyi2je6xa3uv2baezj6om

Run-Time Extensibility and Librarization of Simulation Software

Jed Brown, Matthew G. Knepley, Barry F. Smith
2015 Computing in science & engineering (Print)  
That which would be utterly unacceptable in nonscientific software somehow passes for the norm in scientific packages.  ...  Build-time configuration and environment assumptions are hampering progress and usability in scientific software.  ...  TRENDS IN SIMULATION-BASED SCIENCE AND ENGINEERING Modern computational science and engineering is increasingly defined by multiphysics, multiscale simulation [1] while raising the level of abstraction  ... 
doi:10.1109/mcse.2014.95 fatcat:odeor4epvjegvf57tsj532qk6u
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