Todd Munson
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View article: A mixed-integer PDE-constrained optimization formulation for constructing electromagnetic cloaks with multiple materials
A mixed-integer PDE-constrained optimization formulation for constructing electromagnetic cloaks with multiple materials Open
We study the design of an electromagnetic cloak from multiple materials with an additional constraint on the mass of the cloak. Our problem is an example of a topology optimization problem, and we formulate this problem as a mixed-integer …
View article: PETSc/TAO developments for GPU-based early exascale systems
PETSc/TAO developments for GPU-based early exascale systems Open
The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization…
View article: Privacy-Preserving Federated Learning for Science: Challenges and Research Directions
Privacy-Preserving Federated Learning for Science: Challenges and Research Directions Open
This paper discusses the key challenges and future research directions for privacy-preserving federated learning (PPFL), with a focus on its application to large-scale scientific AI models, in particular, foundation models~(FMs). PPFL enab…
View article: ECP libraries and tools: An overview
ECP libraries and tools: An overview Open
The Exascale Computing Project (ECP) Software Technology and Co-Design teams addressed the growing complexities in high-performance computing (HPC) by developing scalable software libraries and tools that leverage exascale system capabilit…
View article: PETSc/TAO Developments for GPU-Based Early Exascale Systems
PETSc/TAO Developments for GPU-Based Early Exascale Systems Open
The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization…
View article: Robust A-Optimal Experimental Design for Bayesian Inverse Problems
Robust A-Optimal Experimental Design for Bayesian Inverse Problems Open
Optimal design of experiments for Bayesian inverse problems has recently gained wide popularity and attracted much attention, especially in the computational science and Bayesian inversion communities. An optimal design maximizes a predefi…
View article: Enabling End-to-End Accelerated Multiphysics Simulations in the Exascale Era Using PETSc
Enabling End-to-End Accelerated Multiphysics Simulations in the Exascale Era Using PETSc Open
The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization; it is used in dozens of scientific field…
View article: The PETSc Community as Infrastructure
The PETSc Community as Infrastructure Open
The communities that develop and support open-source scientific software packages are crucial to the utility and success of such packages. Moreover, they form an important part of the human infrastructure that enables scientific progress. …
View article: Stochastic Learning Approach for Binary Optimization: Application to Bayesian Optimal Design of Experiments
Stochastic Learning Approach for Binary Optimization: Application to Bayesian Optimal Design of Experiments Open
Here, we present a novel stochastic approach to binary optimization suited for optimal experimental design (OED) for Bayesian inverse problems governed by mathematical models such as partial differential equations. The OED utility function…
View article: The PETSc Community Is the Infrastructure
The PETSc Community Is the Infrastructure Open
The communities who develop and support open source scientific software packages are crucial to the utility and success of such packages. Moreover, these communities form an important part of the human infrastructure that enables scientifi…
View article: ExaWorks: Workflows for Exascale
ExaWorks: Workflows for Exascale Open
Exascale computers will offer transformative capabilities to combine data-driven and learning-based approaches with traditional simulation applications to accelerate scientific discovery and insight. These software combinations and integra…
View article: A codesign framework for online data analysis and reduction
A codesign framework for online data analysis and reduction Open
Science applications preparing for the exascale era are increasingly exploring in situ computations comprising of simulation‐analysis‐reduction pipelines coupled in‐memory. Efficient composition and execution of such complex pipelines for …
View article: Improving I/O Performance for Exascale Applications Through Online Data Layout Reorganization
Improving I/O Performance for Exascale Applications Through Online Data Layout Reorganization Open
The applications being developed within the U.S. Exascale Computing Project (ECP) to run on imminent Exascale computers will generate scientific results with unprecedented fidelity and record turn-around time. Many of these codes are based…
View article: Optimality Measures for Performance Profiles
Optimality Measures for Performance Profiles Open
We examine the influence of optimality measures on the benchmarking process, and show that scaling requirements lead to a convergence test for nonlinearly constrained solvers that uses a mixture...
View article: Online data analysis and reduction: An important Co-design motif for extreme-scale computers
Online data analysis and reduction: An important Co-design motif for extreme-scale computers Open
A growing disparity between supercomputer computation speeds and I/O rates means that it is rapidly becoming infeasible to analyze supercomputer application output only after that output has been written to a file system. Instead, data-gen…
View article: Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development
Workflows Community Summit: Advancing the State-of-the-art of Scientific Workflows Management Systems Research and Development Open
Scientific workflows are a cornerstone of modern scientific computing, and they have underpinned some of the most significant discoveries of the last decade. Many of these workflows have high computational, storage, and/or communication de…
View article: The PetscSF Scalable Communication Layer
The PetscSF Scalable Communication Layer Open
PetscSF, the communication component of the Portable, Extensible Toolkit for Scientific Computation (PETSc), is designed to provide PETScs communication infrastructure suitable for exascale computers that utilize GPUs and other accelerator…
View article: Scalable Multigrid-based Hierarchical Scientific Data Refactoring on GPUs
Scalable Multigrid-based Hierarchical Scientific Data Refactoring on GPUs Open
Rapid growth in scientific data and a widening gap between computational speed and I/O bandwidth makes it increasingly infeasible to store and share all data produced by scientific simulations. Instead, we need methods for reducing data vo…
View article: The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science
The Exascale Framework for High Fidelity coupled Simulations (EFFIS): Enabling whole device modeling in fusion science Open
We present the Exascale Framework for High Fidelity coupled Simulations (EFFIS), a workflow and code coupling framework developed as part of the Whole Device Modeling Application (WDMApp) in the Exascale Computing Project. EFFIS consists o…
View article: FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking
FTK: A Simplicial Spacetime Meshing Framework for Robust and Scalable Feature Tracking Open
We present the Feature Tracking Kit (FTK), a framework that simplifies, scales, and delivers various feature-tracking algorithms for scientific data. The key of FTK is our simplicial spacetime meshing scheme that generalizes both regular a…
View article: Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles.
Achieving 100X faster simulations of complex biological phenomena by coupling ML to HPC ensembles. Open
The use of ML methods to dynamically steer ensemble-based simulations promises significant improvements in the performance of scientific applications. We present DeepDriveMD, a tool for a range of prototypical ML-driven HPC simulation scen…
View article: Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations
Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations Open
Machine learning (ML)-based steering can improve the performance of ensemble-based simulations by allowing for online selection of more scientifically meaningful computations. We present DeepDriveMD, a framework for ML-driven steering of s…
View article: PETSc Users Manual (Revision 3.15)
PETSc Users Manual (Revision 3.15) Open
This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc is a suite of data …
View article: Encoder–decoder neural network for solving the nonlinear Fokker–Planck–Landau collision operator in XGC
Encoder–decoder neural network for solving the nonlinear Fokker–Planck–Landau collision operator in XGC Open
An encoder–decoder neural network has been used to examine the possibility for acceleration of a partial integro-differential equation, the Fokker–Planck–Landau collision operator. This is part of the governing equation in the massively pa…
View article: Workflows Community Summit: Bringing the Scientific Workflows Community Together
Workflows Community Summit: Bringing the Scientific Workflows Community Together Open
Scientific workflows have been used almost universally across scientific domains, and have underpinned some of the most significant discoveries of the past several decades. Many of these workflows have high computational, storage, and/or c…
View article: TAO Users Manual (Rev. 3.15)
TAO Users Manual (Rev. 3.15) Open
The Toolkit for Advanced Optimization (TAO) focuses on the development of algorithms and software for the solution of large-scale optimization problems on high-performance architectures. Areas of interest include unconstrained and bound-co…
View article: The PetscSF Scalable Communication Layer
The PetscSF Scalable Communication Layer Open
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 accelerato…