AI Meets Exascale Computing: Advancing Cancer Research With Large-Scale High Performance Computing

Tanmoy Bhattacharya, Thomas Brettin, James H. Doroshow, Yvonne A. Evrard, Emily J. Greenspan, Amy L. Gryshuk, Thuc T. Hoang, Carolyn B.Vea Lauzon, Dwight Nissley, Lynne Penberthy, Eric Stahlberg, Rick Stevens, Fred Streitz, Georgia Tourassi, Fangfang Xia, George Zaki

Research output: Contribution to journalReview articlepeer-review

30 Scopus citations

Abstract

The application of data science in cancer research has been boosted by major advances in three primary areas: (1) Data: diversity, amount, and availability of biomedical data; (2) Advances in Artificial Intelligence (AI) and Machine Learning (ML) algorithms that enable learning from complex, large-scale data; and (3) Advances in computer architectures allowing unprecedented acceleration of simulation and machine learning algorithms. These advances help build in silico ML models that can provide transformative insights from data including: molecular dynamics simulations, next-generation sequencing, omics, imaging, and unstructured clinical text documents. Unique challenges persist, however, in building ML models related to cancer, including: (1) access, sharing, labeling, and integration of multimodal and multi-institutional data across different cancer types; (2) developing AI models for cancer research capable of scaling on next generation high performance computers; and (3) assessing robustness and reliability in the AI models. In this paper, we review the National Cancer Institute (NCI) -Department of Energy (DOE) collaboration, Joint Design of Advanced Computing Solutions for Cancer (JDACS4C), a multi-institution collaborative effort focused on advancing computing and data technologies to accelerate cancer research on three levels: molecular, cellular, and population. This collaboration integrates various types of generated data, pre-exascale compute resources, and advances in ML models to increase understanding of basic cancer biology, identify promising new treatment options, predict outcomes, and eventually prescribe specialized treatments for patients with cancer.

Original languageEnglish
Article number984
JournalFrontiers in Oncology
Volume9
DOIs
StatePublished - Oct 2 2019

Funding

Funding. This work has been supported in part by the Joint Design of Advanced Computing Solutions for Cancer (JDACS4C) program established by the U.S. Department of Energy (DOE) and the National Cancer Institute (NCI) of the National Institutes of Health. This work was performed under the auspices of the U.S. Department of Energy by Argonne National Laboratory under Contract DE-AC02-06-CH11357. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-JRNL-773355. This work was performed under the auspices of the U.S. Department of Energy by Los Alamos National Laboratory under Contract DE-AC52-06NA25396. Computing support for this work came in part from the Lawrence Livermore National Laboratory Institutional Computing Grand Challenge program. This project was funded in part with federal funds from the NCI, NIH, under contract no. HHSN261200800001E. This research was supported in part by the Exascale Computing Project (17-SC-20-SC), a collaborative effort of the U.S. Department of Energy Office of Science and the National Nuclear Security Administration. This research used resources of the Argonne Leadership Computing Facility and the Oak Ridge Leadership Computing Facility, which are DOE Office of Science User Facilities. This research used resources of the Lawrence Livermore Computing Facility and the Los Alamos National Laboratory supported by the DOE National Nuclear Security Administration's Advanced Simulation and Computing (ASC) Program. This manuscript has been authored in part by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paidup, irrevocable, world-wide license to publish or reproduce the published form of the manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Keywords

  • artificial intelligence
  • cancer research
  • deep learning
  • high performance computing
  • multi-scale modeling
  • natural language processing
  • precision medicine
  • uncertainty quantification

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