Scientific Machine Learning for Complex Systems

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The DOE SC program in Advanced Scientific Computing Research (ASCR) hereby announces its interest in research applications to explore potentially high-impact approaches in the development and use of scientific machine learning (SciML) and artificial intelligence (AI) in the predictive modeling, simulation and analysis of complex systems and processes. High-performance computational models, simulations, algorithms, data from experiments and observations, and automation are being used to accelerate scientific discovery and innovation. Recent workshops, report, and strategic plans across the DOE have highlighted the research, development, and use of artificial intelligence and machine learning for science, energy, and security. Relevant domains include materials, environmental, and life sciences; high-energy, nuclear, and plasma physics; and the DOE Energy Earthshots Initiative, for examples. A 2018 Basic Research Needs workshop and report on scientific machine learning (SciML) and AI identified six Priority Research Directions (PRDs) for the development of the broad foundations and research capabilities needed to address such DOE mission priorities. The first three PRDs for foundational research are a set of themes common to all SciML approaches and correspond to the need for domain-awareness, interpretability, and robustness and scalability, respectively. Of the other three PRDs for capability research, PRD #5 (Machine Learning-Enhanced Modeling and Simulation) and uncertainty quantification are the subject of this FOA. DOE is committed to promoting the diversity of investigators and institutions it supports, as indicated by the ongoing use of program policy factors (see Section V) in making selections of awards. To strengthen this commitment, DOE encourages applications that are led by, or include partners from Established Program to Stimulate Competitive Research (EPSCoR) states, that are underrepresented in the ASCR portfolio and applications led by individuals from groups historically underrepresented in STEM.

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