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The AI for Scientific Discovery Network+

The AI for Scientific Discovery Network+
The AI for Scientific Discovery Network+

The Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network + (AI3SD) was established in response to the UK Engineering and Physical Sciences Research Council (EPSRC) late-2017 call for a Network + to promote cutting-edge research in artificial intelligence to accelerate groundbreaking scientific discoveries. This article provides the philosophical, scientific, and technical underpinnings of the Network +, the history of the different domains represented in the Network +, and the specific focus of the Network +. The activities, collaborations, and research covered in the first year of the Network + have highlighted the significant challenges in the chemistry and augmented and artificial intelligence space. These challenges are shaping the future directions of the Network +. The article concludes with a summary of the lessons learned in running this Network + and introduces our plans for the future in a landscape redrawn by COVID-19, including rebranding into the AI 4 Scientific Discovery Network (www.ai4science.network). The AI3SD Network + was created to accelerate scientific discovery using new AAI techniques. Despite useful short-term impacts, this extensive space still has many unsolved challenges. It is vital that the trajectory of this effort continues, encouraging further collaborations, helping funding recipients realize their potential, and creating vital resources for the AAI for scientific discovery community. A core aspect of our AI3SD philosophy is the importance of the human element in AI, hence why AAI for scientific discovery is our mantra. Humans must remain in the loop for any decision making that requires ethical consideration or the addition of human intelligence. The AI3SD approach combines the best of human and machine intelligence to gain notable acceleration in scientific discovery using transparent, responsible, and explainable AAI. We aim to finish the first term of the AI3SD with a rich collection of resources and useful outputs, enabling members to progress toward the UN sustainability goals in the areas of chemicals and materials discovery. AI3SD will remain a sustainable entity only if members and organizers work together toward AAI. The Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network + has had an eventful first year, rapidly establishing a diverse community of different disciplines across academia and industry. We share with you our insights into the potential and challenges of the AI for scientific discovery space, coupled with what we have learned about running a research network.

AI, Artificial Intelligence, Chemistry, Drug Discovery, ML, Machine Learning, Materials, Molecules, Philosophy of Science, Scientific Discovery
2666-3899
Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Bird, Colin Leonard
0b41e36f-14b8-4995-a441-0467cce0201a
Niranjan, Mahesan
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Mcneill, William
be33c4df-0f0e-42bf-8b9b-3c0afe8cb69e
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Kanza, Samantha
b73bcf34-3ff8-4691-bd09-aa657dcff420
Bird, Colin Leonard
0b41e36f-14b8-4995-a441-0467cce0201a
Niranjan, Mahesan
5cbaeea8-7288-4b55-a89c-c43d212ddd4f
Mcneill, William
be33c4df-0f0e-42bf-8b9b-3c0afe8cb69e
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f

Kanza, Samantha, Bird, Colin Leonard, Niranjan, Mahesan, Mcneill, William and Frey, Jeremy G. (2021) The AI for Scientific Discovery Network+. Patterns, 2 (1), [100162]. (doi:10.1016/j.patter.2020.100162).

Record type: Article

Abstract

The Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network + (AI3SD) was established in response to the UK Engineering and Physical Sciences Research Council (EPSRC) late-2017 call for a Network + to promote cutting-edge research in artificial intelligence to accelerate groundbreaking scientific discoveries. This article provides the philosophical, scientific, and technical underpinnings of the Network +, the history of the different domains represented in the Network +, and the specific focus of the Network +. The activities, collaborations, and research covered in the first year of the Network + have highlighted the significant challenges in the chemistry and augmented and artificial intelligence space. These challenges are shaping the future directions of the Network +. The article concludes with a summary of the lessons learned in running this Network + and introduces our plans for the future in a landscape redrawn by COVID-19, including rebranding into the AI 4 Scientific Discovery Network (www.ai4science.network). The AI3SD Network + was created to accelerate scientific discovery using new AAI techniques. Despite useful short-term impacts, this extensive space still has many unsolved challenges. It is vital that the trajectory of this effort continues, encouraging further collaborations, helping funding recipients realize their potential, and creating vital resources for the AAI for scientific discovery community. A core aspect of our AI3SD philosophy is the importance of the human element in AI, hence why AAI for scientific discovery is our mantra. Humans must remain in the loop for any decision making that requires ethical consideration or the addition of human intelligence. The AI3SD approach combines the best of human and machine intelligence to gain notable acceleration in scientific discovery using transparent, responsible, and explainable AAI. We aim to finish the first term of the AI3SD with a rich collection of resources and useful outputs, enabling members to progress toward the UN sustainability goals in the areas of chemicals and materials discovery. AI3SD will remain a sustainable entity only if members and organizers work together toward AAI. The Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network + has had an eventful first year, rapidly establishing a diverse community of different disciplines across academia and industry. We share with you our insights into the potential and challenges of the AI for scientific discovery space, coupled with what we have learned about running a research network.

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Accepted/In Press date: 2 November 2020
e-pub ahead of print date: 8 January 2021
Published date: 8 January 2021
Additional Information: Funding Information: At AI3SD we aim to bring together researchers looking to show how cutting-edge artificial and augmented intelligence can be used to push the boundaries of scientific discovery. As such, an important objective for the Network + was to establish a portfolio of activities and support for early-stage research. Since its launch in December 2018, AI3SD has organized or co-organized 12 events. These events comprised five main types: workshops, conferences, training events, hackathons ,and town meetings (for funding). A comprehensive list of the events that have been organized or co-organized by AI3SD can be found on the AI3SD events page. 86 Funding Information: In this perspective we describe the inception and first year of the Artificial Intelligence and Augmented Intelligence for Automated Investigation for Scientific Discovery Network + (AI3SD 1 ), funded by the Engineering and Physical Sciences Research Council (EPSRC 2 ) of the UK Research Innovation (UKRI 3 ) Network + . Publisher Copyright: © 2020 The Authors
Keywords: AI, Artificial Intelligence, Chemistry, Drug Discovery, ML, Machine Learning, Materials, Molecules, Philosophy of Science, Scientific Discovery

Identifiers

Local EPrints ID: 445874
URI: http://eprints.soton.ac.uk/id/eprint/445874
ISSN: 2666-3899
PURE UUID: 23b5187b-5b94-47ba-bfca-b2f5560a2efe
ORCID for Samantha Kanza: ORCID iD orcid.org/0000-0002-4831-9489
ORCID for Mahesan Niranjan: ORCID iD orcid.org/0000-0001-7021-140X
ORCID for William Mcneill: ORCID iD orcid.org/0000-0002-3647-0720
ORCID for Jeremy G. Frey: ORCID iD orcid.org/0000-0003-0842-4302

Catalogue record

Date deposited: 13 Jan 2021 17:30
Last modified: 17 Mar 2024 03:51

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Contributors

Author: Samantha Kanza ORCID iD
Author: Colin Leonard Bird
Author: Mahesan Niranjan ORCID iD
Author: William Mcneill ORCID iD
Author: Jeremy G. Frey ORCID iD

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