Workshop Report on Basic Research Needs for Scientific Machine Learning: Core Technologies for Artificial Intelligence

Scientific Machine Learning (SciML) and Artificial Intelligence (AI) will have broad use and transformative effects across the Department of Energy. Accordingly, the January 2018 Basic Research Needs workshop identified six Priority Research Directions (PRDs). The first three PRDs describe foundational research themes that correspond to the need for domain-awareness (PRD# 1), interpretability (PRD# 2), and robustness (PRD# 3). The other three PRDs describe capability research themes and correspond to the three major use cases for massive scientific data analysis (PRD# 4), machine learning-enhanced modeling and simulation (PRD# 5), and intelligent automation and decision-support for complex systems (PRD# 6). The Priority Research Directions provide a sound basis for a coherent, long-term research and development strategy in SciML and AI. Over the last decade, DOE investments in applied mathematics have laid the groundwork for the type of basic research that will underpin key advances in the six PRDs. Such advances will build on the work from leading researchers in optimization, linear algebra, high-performance solvers and algorithms, multiscale modeling and simulation, complex systems research, uncertainty quantification, and the new basic research areas that will emerge from the pursuit of transformative technologies.