AI for Scientific Discovery: Proceedings of a Workshop (2024)
Chapter: Front Matter
AI for
Scientific Discovery
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Robert Pool, Rapporteur
Science and Engineering Capacity
Development Unit
Policy and Global Affairs
Computer Science and
Telecommunications Board
Division on Engineering and
Physical Sciences
Proceedings of a Workshop
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International Standard Book Number-13: 978-0-309-71497-6
International Standard Book Number-10: 0-309-71497-4
Digital Object Identifier: https://doi.org/10.17226/27457
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Suggested citation: National Academies of Sciences, Engineering, and Medicine. 2024. AI for Scientific Discovery: Proceedings of a Workshop. Washington, DC: The National Academies Press. https://doi.org/10.17226/27457.
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PLANNING COMMITTEE ON AI FOR SCIENTIFIC DISCOVERY – A WORKSHOP
BRADLEY MALIN (Chair), Vice Chair for Research and Professor of Biomedical Informatics, Vanderbilt University
KEITH ANDREW BROWN, Associate Professor of Mechanical Engineering, Physics, and Materials Science & Engineering, Boston University
MISSY CUMMINGS, Professor, George Mason University
YOLANDA GIL, Principal Scientist and Senior Director for Strategic Initiatives in Artificial Intelligence and Data Science, University of Southern California
PATRICK F. RILEY, Senior Vice President, Relay Therapeutics
AARTI SINGH, Associate Professor, Carnegie Mellon University
Workshop Staff
DALAL NAJIB, Senior Director
THO NGUYEN, Senior Program Officer
ALEX TEMPLE, Program Officer
ROSE PARKER, Senior Program Assistant
ARIANNE GANDY, Senior Program Assistant
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Reviewers
This Proceedings of a Workshop was reviewed in draft form by individuals chosen for their diverse perspectives and technical expertise. The purpose of this independent review is to provide candid and critical comments that will assist the National Academies of Sciences, Engineering, and Medicine in making each published proceedings as sound as possible and to ensure that it meets the institutional standards for quality, objectivity, evidence, and responsiveness to the charge. The review comments and draft manuscript remain confidential to protect the integrity of the process.
We thank the following individuals for their review of this proceedings:
SUSAN AARONSON, George Washington University
BRADLEY MALIN, Vanderbilt University
AUDE OLIVA, Massachusetts Institute of Technology
ANICIA PETERS, National Commission on Research, Science and Technology of Namibia
AISHA WALCOTT-BRYANT, Google Research–Kenya
Although the reviewers listed above have provided many constructive comments and suggestions, they were not asked to endorse the content of this proceedings nor did they see the final draft of the proceedings before its release. The review of this proceedings was overseen by MARILYN BAKER, the National Academies. She was responsible for making certain that an independent examination of this proceedings was carried out in accordance
with the standards of the National Academies and that all review comments were carefully considered. Responsibility for the final content of this proceedings rests entirely with the rapporteur and the National Academies.
Contents
2 Fundamentals of AI in Scientific Research
WHAT CAN AND SHOULD AN AI SCIENTIST DO?
EXAMPLES OF HOW AI HAS ALREADY ASSISTED IN SCIENTIFIC DISCOVERY
3 Hurdles for AI for Scientific Discovery
TECHNICAL CHALLENGES TO AI PLAYING A SIGNIFICANT ROLE IN SCIENTIFIC DISCOVERY
SOCIAL, LEGAL, AND ETHICAL CHALLENGES FACING THE USE OF AI FOR SCIENTIFIC DISCOVERY
4 Next Steps for AI for Scientific Discovery
GRAND CHALLENGES FACING AI FOR SCIENTIFIC DISCOVERY
POTENTIAL AVENUES AND FIRST STEPS TOWARD DEVELOPING AI FOR SCIENTIFIC DISCOVERY
Preface
Over the past century, artificial intelligence (AI) has evolved from computational theory to everyday conversational technologies, capturing the attention and interest of the public and the media. It has also caught the attention of the scientific community, where it has provided a new tool to support inquiry and exploration. While AI in the context of scientific investigation has existed for decades, advances in computational technology and sensing in the physical world have created opportunities to integrate AI into science in unexpected ways, with capabilities that are rapidly accelerating. As a result, AI has been leveraged by an expanding collection of disciplines in the physical and biological sciences, as well as engineering domains. AI has already facilitated new ways of modeling and solving problems that would have been unthinkable without its assistance, such as the design of proteins with novel properties and the engineering of circuitry that humans had yet to conceive. Still, while the opportunities for AI in scientific discovery seem endless, there are numerous questions about what makes for trustworthy and reliable discovery, whether such investigation should be performed without human oversight or intervention, and how best to prioritize the research agenda and allocation of resources without magnifying disparities for individuals and nations alike. In recognition of the timeliness and sizable implications of AI in our world, the National Academies of Sciences, Engineering, and Medicine convened leaders from across the globe in the field of AI; preeminent researchers in various science
and engineering disciplines; and experts in ethics, law, and social sciences to appraise the state of the field and provide guidance on the opportunities, as well as the challenges, that lay ahead.
Bradley Malin, Chair
AI for Scientific Discovery – A Workshop
