Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Technical Report · Mon May 01 00:00:00 EDT 2023

DOI:https://doi.org/10.2172/1986455· OSTI ID:1986455

Carter, Jonathan ^[1]; Feddema, John ^[2]; Kothe, Doug ^[3]; Neely, Rob ^[4]; Pruet, Jason ^[5]; Stevens, Rick ^[6]; Balaprakash, Prasanna ^[6]; Beckman, Pete ^[6]; Foster, Ian ^[6]; Iskra, Kamil ^[6]; Ramanathan, Arvind ^[6]; Taylor, Valerie ^[6]; Thakur, Rajeev ^[6]; Agarwal, Deb ^[1]; Crivelli, Silvia ^[1]; de Jong, Bert ^[1]; Rouson, Damian ^[1]; Sohn, Mike ^[1]; Wetter, Michael ^[1]; Wild, Stefan ^[1] ; Bremer, Timo ^[4]; Goldman, Michael ^[4]; Kupresanin, Ana ^[4]; Peterson, Luc ^[4]; Spears, Brian ^[4]; Stevens, Dave ^[4]; Van Essen, Brian ^[4]; Bent, Russell ^[5]; Grosskopf, Mike ^[5]; Lawrence, Earl ^[5]; Shipman, Galen ^[5]; Rose, Kelly ^[7]; Grout, Ray ^[8]; Kouakpaizan, Nicholson ^[3]; Omitaomu, Femi ^[3]; Peles, Slaven ^[3]; Ramuhalli, Pradeep ^[3]; Shankar, Arjun ^[3]; Womble, David ^[3]; Zhang, Guannan ^[3]; Catanach, Tommie ^[2]; Oldfield, Ron ^[2]; Rajamanickam, Sivasankaran ^[2]; Ray, Jaideep ^[2]; Leung, Mary Ann ^[9]; Catlett, Charles ^[6]; Dietrich, Emily M. ^[6]

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1. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
3. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
4. Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
5. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
6. Argonne National Laboratory (ANL), Argonne, IL (United States)
7. National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)
8. National Renewable Energy Laboratory (NREL), Golden, CO (United States)
9. Sustainable Horizons Institute, Rancho Mirage, CA (United States)

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL (United States)
• Sponsoring Organization: USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA)
• DOE Contract Number: AC02-06CH11357
• OSTI ID: 1986455
• Report Number(s): ANL-22/91; 182628
• Country of Publication: United States
• Language: English

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97 MATHEMATICS AND COMPUTING