272 citations · 1.8k across the 82 of their papers we have counts for
11 papers · 1 filter
Bringing Atomistic Deep Learning to Prime Time
Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar +2
Artificial intelligence has not yet revolutionized the design of materials and molecules. In this perspective, we identify four barriers preventing the integration of atomistic dee…
Scalable Geometric Deep Learning on Molecular Graphs
Nathan C. Frey, Siddharth Samsi, Joseph McDonald +3
Deep learning in molecular and materials sciences is limited by the lack of integration between applied science, artificial intelligence, and high-performance computing. Bottleneck…
The Pseudo Projection Operator: Applications of Deep Learning to Projection Based Filtering in Non-Trivial Frequency Regimes
Matthew L. Weiss, Nathan C. Frey, Siddharth Samsi +2
Traditional frequency based projection filters, or projection operators (PO), separate signal and noise through a series of transformations which remove frequencies where noise is…
AI Accelerator Survey and Trends
Albert Reuther, Peter Michaleas, Michael Jones +3
Over the past several years, new machine learning accelerators were being announced and released every month for a variety of applications from speech recognition, video object det…
3D Real-Time Supercomputer Monitoring
Bill Bergeron, Matthew Hubbell, Dylan Sequeira +17
Supercomputers are complex systems producing vast quantities of performance data from multiple sources and of varying types. Performance data from each of the thousands of nodes in…
Supercomputing Enabled Deployable Analytics for Disaster Response
Kaira Samuel, Jeremy Kepner, Michael Jones +17
First responders and other forward deployed essential workers can benefit from advanced analytics. Limited network access and software security requirements prevent the usage of st…
Maneuver Identification Challenge
Kaira Samuel, Vijay Gadepally, David Jacobs +8
AI algorithms that identify maneuvers from trajectory data could play an important role in improving flight safety and pilot training. AI challenges allow diverse teams to work tog…
Node-Based Job Scheduling for Large Scale Simulations of Short Running Jobs
Chansup Byun, William Arcand, David Bestor +15
Diverse workloads such as interactive supercomputing, big data analysis, and large-scale AI algorithm development, requires a high-performance scheduler. This paper presents a nove…
Spatial Temporal Analysis of 40,000,000,000,000 Internet Darkspace Packets
Jeremy Kepner, Michael Jones, Daniel Andersen +24
The Internet has never been more important to our society, and understanding the behavior of the Internet is essential. The Center for Applied Internet Data Analysis (CAIDA) Telesc…
Vertical, Temporal, and Horizontal Scaling of Hierarchical Hypersparse GraphBLAS Matrices
Jeremy Kepner, Tim Davis, Chansup Byun +16
Hypersparse matrices are a powerful enabler for a variety of network, health, finance, and social applications. Hierarchical hypersparse GraphBLAS matrices enable rapid streaming u…
The MIT Supercloud Dataset
Siddharth Samsi, Matthew L Weiss, David Bestor +24
Artificial intelligence (AI) and Machine learning (ML) workloads are an increasingly larger share of the compute workloads in traditional High-Performance Computing (HPC) centers a…