Towards a Software Development Framework for Interconnected Science Ecosystems

Addi Malviya Thakur; Seth Hitefield; Marshall McDonnell; Matthew Wolf; Richard Archibald; Lance Drane; Kevin Roccapriore; Maxim Ziatdinov; Jesse McGaha; Robert Smith; John Hetrick; Mark Abraham; Sergey Yakubov; Greg Watson; Ben Chance; Clara Nguyen; Matthew Baker; Robert Michael; Elke Arenholz; Ben Mintz

doi:10.1007/978-3-031-23606-8_13

Towards a Software Development Framework for Interconnected Science Ecosystems

Addi Malviya Thakur, Seth Hitefield, Marshall McDonnell, Matthew Wolf, Richard Archibald, Lance Drane, Kevin Roccapriore, Maxim Ziatdinov, Jesse McGaha, Robert Smith, John Hetrick, Mark Abraham, Sergey Yakubov, Greg Watson, Ben Chance, Clara Nguyen, Matthew Baker, Robert Michael, Elke Arenholz, Ben Mintz

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Scopus citations

Abstract

The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

Original language	English
Title of host publication	Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers
Editors	Kothe Doug, Geist Al, Swaroop Pophale, Hong Liu, Suzanne Parete-Koon
Publisher	Springer Science and Business Media Deutschland GmbH
Pages	206-224
Number of pages	19
ISBN (Print)	9783031236051
DOIs	https://doi.org/10.1007/978-3-031-23606-8_13
State	Published - 2022
Event	Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022 - Virtual, Online Duration: Aug 24 2022 → Aug 25 2022

Publication series

Name	Communications in Computer and Information Science
Volume	1690 CCIS
ISSN (Print)	1865-0929
ISSN (Electronic)	1865-0937

Conference

Conference	Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022
City	Virtual, Online
Period	08/24/22 → 08/25/22

Funding

Acknowledgement. This manuscript has been authored by UT-Battelle, LLC under Contract No. DEAC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access.

Keywords

Autonomous experiments
DevSecOps
Digital twins
Edge computing
Federated instruments
Interconnected science
Research infrastructure
SDK
Scientific software
Scientific workflows

Access to Document

10.1007/978-3-031-23606-8_13

Cite this

Thakur, A. M., Hitefield, S., McDonnell, M., Wolf, M., Archibald, R., Drane, L., Roccapriore, K., Ziatdinov, M., McGaha, J., Smith, R., Hetrick, J., Abraham, M., Yakubov, S., Watson, G., Chance, B., Nguyen, C., Baker, M., Michael, R., Arenholz, E., & Mintz, B. (2022). Towards a Software Development Framework for Interconnected Science Ecosystems. In K. Doug, G. Al, S. Pophale, H. Liu, & S. Parete-Koon (Eds.), Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers (pp. 206-224). (Communications in Computer and Information Science; Vol. 1690 CCIS). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-031-23606-8_13

Thakur, Addi Malviya ; Hitefield, Seth ; McDonnell, Marshall et al. / Towards a Software Development Framework for Interconnected Science Ecosystems. Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers. editor / Kothe Doug ; Geist Al ; Swaroop Pophale ; Hong Liu ; Suzanne Parete-Koon. Springer Science and Business Media Deutschland GmbH, 2022. pp. 206-224 (Communications in Computer and Information Science).

@inproceedings{f1b63c023cf545069332424af935e034,

title = "Towards a Software Development Framework for Interconnected Science Ecosystems",

abstract = "The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.",

keywords = "Autonomous experiments, DevSecOps, Digital twins, Edge computing, Federated instruments, Interconnected science, Research infrastructure, SDK, Scientific software, Scientific workflows",

author = "Thakur, {Addi Malviya} and Seth Hitefield and Marshall McDonnell and Matthew Wolf and Richard Archibald and Lance Drane and Kevin Roccapriore and Maxim Ziatdinov and Jesse McGaha and Robert Smith and John Hetrick and Mark Abraham and Sergey Yakubov and Greg Watson and Ben Chance and Clara Nguyen and Matthew Baker and Robert Michael and Elke Arenholz and Ben Mintz",

note = "Publisher Copyright: {\textcopyright} 2022, The Author(s), under exclusive license to Springer Nature Switzerland AG.; Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022 ; Conference date: 24-08-2022 Through 25-08-2022",

year = "2022",

doi = "10.1007/978-3-031-23606-8_13",

language = "English",

isbn = "9783031236051",

series = "Communications in Computer and Information Science",

publisher = "Springer Science and Business Media Deutschland GmbH",

pages = "206--224",

editor = "Kothe Doug and Geist Al and Swaroop Pophale and Hong Liu and Suzanne Parete-Koon",

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Thakur, AM, Hitefield, S, McDonnell, M, Wolf, M, Archibald, R, Drane, L, Roccapriore, K, Ziatdinov, M, McGaha, J, Smith, R , Hetrick, J, Abraham, M, Yakubov, S, Watson, G, Chance, B, Nguyen, C, Baker, M, Michael, R, Arenholz, E & Mintz, B 2022, Towards a Software Development Framework for Interconnected Science Ecosystems. in K Doug, G Al, S Pophale, H Liu & S Parete-Koon (eds), Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers. Communications in Computer and Information Science, vol. 1690 CCIS, Springer Science and Business Media Deutschland GmbH, pp. 206-224, Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Virtual, Online, 08/24/22. https://doi.org/10.1007/978-3-031-23606-8_13

Towards a Software Development Framework for Interconnected Science Ecosystems. / Thakur, Addi Malviya; Hitefield, Seth; McDonnell, Marshall et al.
Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers. ed. / Kothe Doug; Geist Al; Swaroop Pophale; Hong Liu; Suzanne Parete-Koon. Springer Science and Business Media Deutschland GmbH, 2022. p. 206-224 (Communications in Computer and Information Science; Vol. 1690 CCIS).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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AU - Thakur, Addi Malviya

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AU - Drane, Lance

AU - Roccapriore, Kevin

AU - Ziatdinov, Maxim

AU - McGaha, Jesse

AU - Smith, Robert

AU - Hetrick, John

AU - Abraham, Mark

AU - Yakubov, Sergey

AU - Watson, Greg

AU - Chance, Ben

AU - Nguyen, Clara

AU - Baker, Matthew

AU - Michael, Robert

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AU - Mintz, Ben

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N2 - The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

AB - The innovative science of the future must be multi-domain and interconnected to usher in the next generation of “self-driving” laboratories enabling consequential discoveries and transformative inventions. Such a disparate and interconnected ecosystem of scientific instruments will need to evolve using a system-of-systems (SoS) approach. The key to enabling application integration with such an SoS will be the use of Software Development Kits (SDKs). Currently, SDKs facilitate scientific research breakthroughs via algorithmic automation, databases and storage, optimization and structure, pervasive environmental monitoring, among others. However, existing SDKs lack instrument-interoperability and reusability capabilities, do not effectively work in an open federated architectural environment, and are largely isolated within silos of the respective scientific disciplines. Inspired by the scalable SoS framework, this work proposes the development of INTERSECT-SDK to provide a coherent environment for multi-domain scientific applications to benefit from the open federated architecture in an interconnected ecosystem of instruments. This approach will decompose functionality into loosely coupled software services for interoperability among several solutions that do not scale beyond a single domain and/or application. Furthermore, the proposed environment will allow operational and managerial inter-dependence while providing opportunities for the researchers to reuse software components from other domains and build universal solution libraries. We demonstrate this research for microscopy use-case, where we show how INTERSECT-SDK is developing the tools necessary to enable advanced scanning methods and accelerate scientific discovery.

KW - Autonomous experiments

KW - DevSecOps

KW - Digital twins

KW - Edge computing

KW - Federated instruments

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KW - Research infrastructure

KW - SDK

KW - Scientific software

KW - Scientific workflows

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SN - 9783031236051

T3 - Communications in Computer and Information Science

SP - 206

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BT - Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers

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Thakur AM, Hitefield S, McDonnell M, Wolf M, Archibald R, Drane L et al. Towards a Software Development Framework for Interconnected Science Ecosystems. In Doug K, Al G, Pophale S, Liu H, Parete-Koon S, editors, Accelerating Science and Engineering Discoveries Through Integrated Research Infrastructure for Experiment, Big Data, Modeling and Simulation - 22nd Smoky Mountains Computational Sciences and Engineering Conference, SMC 2022, Revised Selected Papers. Springer Science and Business Media Deutschland GmbH. 2022. p. 206-224. (Communications in Computer and Information Science). doi: 10.1007/978-3-031-23606-8_13