Search Results for author: Todd Munson

Found 4 papers, 0 papers with code

Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations

no code implementations10 Apr 2021 Alexander Brace, Igor Yakushin, Heng Ma, Anda Trifan, Todd Munson, Ian Foster, Arvind Ramanathan, Hyungro Lee, Matteo Turilli, Shantenu Jha

The results establish DeepDriveMD as a high-performance framework for ML-driven HPC simulation scenarios, that supports diverse MD simulation and ML back-ends, and which enables new scientific insights by improving the length and time scales accessible with current computing capacity.

Protein Folding

The PetscSF Scalable Communication Layer

no code implementations25 Feb 2021 Junchao Zhang, Jed Brown, Satish Balay, Jacob Faibussowitsch, Matthew Knepley, Oana Marin, Richard Tran Mills, Todd Munson, Barry F. Smith, Stefano Zampini

PetscSF, the communication component of the Portable, Extensible Toolkit for Scientific Computation (PETSc), is designed to provide PETSc's communication infrastructure suitable for exascale computers that utilize GPUs and other accelerators.

Distributed, Parallel, and Cluster Computing 65F10, 65F50, 68N99, 68W10 G.4; C.2

Stochastic Learning Approach to Binary Optimization for Optimal Design of Experiments

no code implementations15 Jan 2021 Ahmed Attia, Sven Leyffer, Todd Munson

We present a novel stochastic approach to binary optimization for optimal experimental design (OED) for Bayesian inverse problems governed by mathematical models such as partial differential equations.

Experimental Design reinforcement-learning +1

Training neural networks under physical constraints using a stochastic augmented Lagrangian approach

no code implementations15 Sep 2020 Alp Dener, Marco Andres Miller, Randy Michael Churchill, Todd Munson, Choong-Seock Chang

We investigate the physics-constrained training of an encoder-decoder neural network for approximating the Fokker-Planck-Landau collision operator in the 5-dimensional kinetic fusion simulation in XGC.

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