@conference {, title = {Integrating Deep Learning in Domain Sciences at Exascale}, booktitle = {2020 Smoky Mountains Computational Sciences and Engineering Conference (SMC 2020)}, year = {2020}, month = {2020-08}, abstract = {This paper presents some of the current challenges in designing deep learning artificial intelligence (AI) and integrating it with traditional high-performance computing (HPC) simulations. We evaluate existing packages for their ability to run deep learning models and applications on large-scale HPC systems e ciently, identify challenges, and propose new asynchronous parallelization and optimization techniques for current large-scale heterogeneous systems and upcoming exascale systems. These developments, along with existing HPC AI software capabilities, have been integrated into MagmaDNN, an open-source HPC deep learning framework. Many deep learning frameworks are targeted at data scientists and fall short in providing quality integration into existing HPC workflows. This paper discusses the necessities of an HPC deep learning framework and how those needs can be provided (e.g., as in MagmaDNN) through a deep integration with existing HPC libraries, such as MAGMA and its modular memory management, MPI, CuBLAS, CuDNN, MKL, and HIP. Advancements are also illustrated through the use of algorithmic enhancements in reduced- and mixed-precision, as well as asynchronous optimization methods. Finally, we present illustrations and potential solutions for enhancing traditional compute- and data-intensive applications at ORNL and UTK with AI. The approaches and future challenges are illustrated in materials science, imaging, and climate applications.}, author = {Rick Archibald and Edmond Chow and Eduardo D{\textquoteright}Azevedo and Jack Dongarra and Markus Eisenbach and Rocco Febbo and Florent Lopez and Daniel Nichols and Stanimire Tomov and Kwai Wong and Junqi Yin} }