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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Toward digital design at the exascale: An overview of project ICECap

High performance computing has entered the Exascale Age. Capable of performing over 1018 floating point operations per second, exascale computers, such as El Capitan, the National Nuclear Security Administration's first, have the potential to revolutionize the detailed in-depth study of highly complex science and engineering systems. However, in addition to these kind of whole machine “hero” simulations, exascale systems could also enable new paradigms in digital design by making petascale hero runs routine. Currently, untenable problems in complex system design, optimization, model exploration, and scientific discovery could all become possible. Motivated by the challenge of uncovering the next generation of robust high-yield inertial confinement fusion (ICF) designs, project ICECap (Inertial Confinement on El Capitan) attempts to integrate multiple advances in machine learning (ML), scientific workflows, high performance computing, GPU-acceleration, and numerical optimization to prototype such a future. Built on a general framework, ICECap is exploring how these technologies could broadly accelerate scientific discovery on El Capitan. In addition to our requirements, system-level design, and challenges, we describe some of the key technologies in ICECap, including ML replacements for multiphysics packages, tools for human-machine teaming, and algorithms for multifidelity design optimization under uncertainty. As a test of our prototype pre-El Capitan system, we advance the state-of-the art for ICF hohlraum design by demonstrating the optimization of a 17-parameter National Ignition Facility experiment and show that our ML-assisted workflow makes design choices that are consistent with physics intuition, but in an automated, efficient, and mathematically rigorous fashion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Accelerating Scientific Simulations with Bi-Fidelity Weighted Transfer Learning

High-fidelity modeling is an essential design tool for many engineering applications. However, for complex systems, computational cost can be a limiting factor. Analyzing parameter sensitivity, uncertainty quantification, and design optimization require many model evaluations. Surrogate models are often used to develop the relationship between model parameters and quantities of interest. However, in the case of complex systems, surrogate models require several degrees of freedom and, thus, a large number of data points to determine the correct dependencies. For many applications, this may be prohibitively expensive. The reduction of computational requirements can be achieved by leveraging low-fidelity models. Low-fidelity models represent the system at a coarser resolution with the advantage of computational efficiency. Therefore, a bi-fidelity modeling paradigm, which augments the accuracy of a low-fidelity model in a computationally efficient manner by invoking limited runs of a high-fidelity model, can be leveraged to sufficiently balance the accuracy and computational requirements. In this work, a bi-fidelity weighted transfer learning method using neural networks was applied to a computational fluid dynamics heat transfer modeling problem. The transfer learning advantage was investigated as a function of hyperparameters. Our main finding is that the use of a bi-fidelity modeling paradigm achieves accuracy close to that of a high-fidelity Gaussian process model while significantly reducing computational cost. The bi-fidelity model achieves comparable performance with 90 high-fidelity samples-that is, 60% less than the samples needed to achieve similar accuracy without the use of bi-fidelity modeling,

Borowiec, Katarzyna↗
DOE OSTI2024

A Cast of Thousands: How the IDEAS Productivity Project Has Advanced Software Productivity and Sustainability

Computational and data-enabled science and engineering are revolutionizing advances throughout science and society, at all scales of computing. For example, teams in the U.S. Department of Energy’s Exascale Computing Project have been tackling new frontiers in modeling, simulation, and analysis by exploiting unprecedented exascale computing capabilities—building an advanced software ecosystem that supports next-generation applications and addresses disruptive changes in computer architectures. However, concerns are growing about the productivity of the developers of scientific software. Members of the Interoperable Design of Extreme-scale Application Software project serve as catalysts to address these challenges through fostering software communities, incubating and curating methodologies and resources, and disseminating knowledge to advance developer productivity and software sustainability. This article discusses how these synergistic activities are advancing scientific discovery—mitigating technical risks by building a firmer foundation for reproducible, sustainable science at all scales of computing, from laptops to clusters to exascale and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Low Power Hardware-In-The-Loop Neuromorphic Training Accelerator

The training process for spiking neural networks can be very computationally intensive. Approaches such as evolutionary algorithms may require evaluating thousands or millions of candidate solutions. In this work, we propose using neuromorphic cores implemented on a Xilinx Zynq system on chip to accelerate and improve the energy efficiency of the evaluation step of an evolutionary training approach. We demonstrate this can significantly reduce the required energy to evolve a network with some cases showing greater than 10 times improvement as compared to a CPU-only system.

Mitchell, Parker↗
DOE OSTI2024

Deployment of inference as a service at the US CMS Tier-2 data centers

Coprocessors, especially GPUs, will be a vital ingredient of data production workflows at the HL-LHC. At CMS, the GPU-as-a-service approach for production workflows is implemented by the SONIC project (Services for Optimized Network Inference on Coprocessors). SONIC provides a mechanism for outsourcing computationally demanding algorithms, such as neural network inference, to remote servers, where requests from multiple clients are intelligently distributed across multiple GPUs by a load-balancing service. This talk highlights the recent progress in deploying SONIC at selected U.S. CMS Tier-2 data centers. Using realistic CMS Run3 data processing workflows, such as those containing transformer-based algorithms, we demonstrate how SONIC is integrated into the production-like environment to enable accelerated inference offloading. We will present developments from both the client and server sides, including production job and data center configurations for NVIDIA and AMD GPUs. We will also present performance scaling benchmarks and discuss the challenges of operating SONIC in CMS production, such as server discovery, GPU saturation, fallback server logic, etc.

Holzman, Burt↗
NASA NTRS1975

Flood hazard studies in Central Texas using orbital and suborbital remote sensing machinery

Central Texas is subject to infrequent, unusually intense rainstorms which cause extremely rapid runoff from drainage basins developed on the deeply dissected limestone and marl bedrock of the Edwards Plateau. One approach to flood hazard evaluation in this area is a parametric model relating flood hydrograph characteristics to quantitative geomorphic properties of the drainage basins. The preliminary model uses multiple regression techniques to predict potential peak flood discharge from basin magnitude, drainage density, and ruggedness number. After mapping small catchment networks from remote sensing imagery, input data for the model are generated by network digitization and analysis by a computer assisted routine of watershed analysis. The study evaluated the network resolution capabilities of the following data formats: (1) large-scale (1:24,000) topographic maps, employing Strahler's "method of v's," (2) standard low altitude black and white aerial photography (1:13,000 and 1:20,000 scales), (3) NASA - generated aerial infrared photography at scales ranging from 1:48,000 to 1:123,000, and (4) Skylab Earth Resources Experiment Package S-190A and S-190B sensors (1:750,000 and 1:500,000 respectively).

Baker, V. R.↗
NASA NTRS1975

Satellite system considerations for computer data transfer

Communications satellites will play a key role in the transmission of computer generated data through nationwide networks. This paper examines critical aspects of satellite system design as they relate to the computer data transfer task. In addition, it discusses the factors influencing the choice of error control technique, modulation scheme, multiple-access mode, and satellite beam configuration based on an evaluation of system requirements for a broad range of application areas including telemetry, terminal dialog, and bulk data transmission.

Cook, W. L.↗
NASA NTRS2002

Enabling Earth Science: The Facilities and People of the NCCS

The NCCS's mass data storage system allows scientists to store and manage the vast amounts of data generated by these computations, and its high-speed network connections allow the data to be accessed quickly from the NCCS archives. Some NCCS users perform studies that are directly related to their ability to run computationally expensive and data-intensive simulations. Because the number and type of questions scientists research often are limited by computing power, the NCCS continually pursues the latest technologies in computing, mass storage, and networking technologies. Just as important as the processors, tapes, and routers of the NCCS are the personnel who administer this hardware, create and manage accounts, maintain security, and assist the scientists, often working one on one with them.

Source record↗
DOE OSTI2015

dfnWorks: A discrete fracture network framework for modeling subsurface flow and transport

DFNWORKS is a parallelized computational suite to generate three-dimensional discrete fracture networks (DFN) and simulate flow and transport. Developed at Los Alamos National Laboratory over the past five years, it has been used to study flow and transport in fractured media at scales ranging from millimeters to kilometers. The networks are created and meshed using DFNGEN, which combines FRAM (the feature rejection algorithm for meshing) methodology to stochastically generate three-dimensional DFNs with the LaGriT meshing toolbox to create a high-quality computational mesh representation. The representation produces a conforming Delaunay triangulation suitable for high performance computing finite volume solvers in an intrinsically parallel fashion. Flow through the network is simulated in dfnFlow, which utilizes the massively parallel subsurface flow and reactive transport finite volume code PFLOTRAN. A Lagrangian approach to simulating transport through the DFN is adopted within DFNTRANS to determine pathlines and solute transport through the DFN. Example applications of this suite in the areas of nuclear waste repository science, hydraulic fracturing and CO 2 sequestration are also included.

42 ENGINEERING↗
DOE OSTI2025

Optimizing the design and operation of water networks: Two decomposition approaches

We consider the design and operation of water networks simultaneously. Water network problems can be divided into two categories: the design problem and the operation problem. The design problem involves determining the appropriate pipe sizing and placements of pump stations, while the operation problem involves scheduling pump stations over multiple time periods to account for changes in supply and demand. Our focus is on networks that involve water co-produced with oil and gas. While solving the optimization formulation for such networks, we found that obtaining a primal (feasible) solution is more challenging than obtaining dual bounds using off-the-shelf mixed-integer nonlinear programming solvers. Therefore, we propose two methods to obtain good primal solutions. One method involves a decomposition framework that utilizes a convex reformulation, while the other is based on time decomposition. To test our proposed methods, we conduct computational experiments on a network derived from the PARETO case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Training Spiking Neural Networks Using Combined Learning Approaches

Spiking neural networks (SNNs), the class of neural networks used in neuromorphic computing, are difficult to train using traditional back-propagation techniques. Spike timingdependent plasticity (STDP) is a biologically inspired learning mechanism that can be used to train SNNs. Evolutionary algorithms have also been demonstrated as a method for training SNNs. In this work, we explore the relationship between these two training methodologies. We evaluate STDP and evolutionary optimization as standalone methods for training networks, and also evaluate a combined approach where STDP weight updates are applied within an evolutionary algorithm. We also apply Bayesian hyperparameter optimization as a meta learner for each of the algorithms. We find that STDP by itself is not an ideal learning rule for randomly connected networks, while the inclusion of STDP within an evolutionary algorithm leads to similar performance, with a few interesting differences. This study suggests future work in understanding the relationship between network topology and learning rules.

Elbrecht, Daniel↗
DOE OSTI2019

Exploring Allosteric Pathways of a V-Type Enzyme with Dynamical Perturbation Networks

Elucidation of the allosteric pathways in proteins is a computational challenge that strongly benefits from combination of atomistic molecular dynamics (MD) simulations and coarse-grained analysis of the complex dynamical network of chemical interactions based on graph theory. Here, we introduce and assess the performances of the dynamical perturbation network analysis of allosteric pathways in a prototypical V-type allosteric enzyme. Dynamical atomic contacts obtained from MD simulations are used to weight the allosteric protein graph, which involves an extended network of contacts perturbed by the effector binding in the allosteric site. The outcome showed good agreement with previously reported theoretical and experimental extended studies and it provided recognition of new potential allosteric spots that can be exploited in future mutagenesis experiments. Lastly, overall, the dynamical perturbation network analysis proved to be a powerful computational tool, complementary to other network-based approaches that can assist the full exploitation of allosteric phenomena for advances in protein engineering and rational drug design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Definition and maintenance of a telemetry database dictionary

A telemetry dictionary database includes a component for receiving spreadsheet workbooks of telemetry data over a web-based interface from other computer devices. Another component routes the spreadsheet workbooks to a specified directory on the host processing device. A process then checks the received spreadsheet workbooks for errors, and if no errors are detected the spreadsheet workbooks are routed to another directory to await initiation of a remote database loading process. The loading process first converts the spreadsheet workbooks to comma separated value (CSV) files. Next, a network connection with the computer system that hosts the telemetry dictionary database is established and the CSV files are ported to the computer system that hosts the telemetry dictionary database. This is followed by a remote initiation of a database loading program. Upon completion of loading a flatfile generation program is manually initiated to generate a flatfile to be used in a mission operations environment by the core ground system.

Knopf, William P.↗
DOE OSTI2023

Frost prediction using machine learning and deep neural network models

This study describes accurate, computationally efficient models that can be implemented for practical use in predicting frost events for point-scale agricultural applications. Frost damage in agriculture is a costly burden to farmers and global food security alike. Timely prediction of frost events is important to reduce the cost of agricultural frost damage and traditional numerical weather forecasts are often inaccurate at the field-scale in complex terrain. In this paper, we developed machine learning (ML) algorithms for the prediction of such frost events near Alcalde, NM at the point-scale. ML algorithms investigated include deep neural network, convolution neural networks, and random forest models at lead-times of 6–48 h. Our results show promising accuracy (6-h prediction RMSE = 1.53–1.72°C) for use in frost and minimum temperature prediction applications. Seasonal differences in model predictions resulted in a slight negative bias during Spring and Summer months and a positive bias in Fall and Winter months. Additionally, we tested the model transferability by continuing training and testing using data from sensors at a nearby farm. We calculated the feature importance of the random forest models and were able to determine which parameters provided the models with the most useful information for predictions. We determined that soil temperature is a key parameter in longer term predictions (>24 h), while other temperature related parameters provide the majority of information for shorter term predictions. The model error compared favorable to previous ML based frost studies and outperformed the physically based High Resolution Rapid Refresh forecasting system making our ML-models attractive for deployment toward real-time monitoring of frost events and damage at commercial farming operations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Improving ideal MHD equilibrium accuracy with physics-informed neural networks

We present a novel approach to compute three-dimensional magnetohydrodynamic equilibria with isotropic pressure profiles and nested surfaces by parametrizing Fourier modes with artificial neural networks (NNs). The full nonlinear global force residual of single equilibria across the volume in real space is then minimized with first order optimizers and compared to equilibria computed by conventional solvers. Already, we observe competitive computational cost to arrive at the same minimum residuals computable with existing codes. With increased computational cost, lower minima of the residual are computable with the NNs than with any other tested solver, establishing a new lower bound for the force residual. We use minimally complex NNs, and we expect significant improvements for solving not only single equilibria with NNs, but also for creating NN models valid over continuous distributions of equilibria.

ideal magnetohydrodynamics↗
NASA NTRS1986

Scientific computing environment for the 1980s

An emerging scientific computing environment in which computers are used not only to solve large-scale models, but are also integrated into the daily activities of scientists and engineers, is discussed. The requirements of the scientific user in this environment are reviewed, and the hardware environment is described, including supercomputers, work stations, mass storage, and communications. Significant increases in memory capacity to keep pace with performance increases, the introduction of powerful graphics displays into the work station, and networking to integrate many computers are stressed. The emerging system software environment is considered, including the operating systems, communications software, and languages. New scientific user tools and utilities that will become available are described.

Bailey, F. R.↗
NASA NTRS1978

Implementation of real-time digital signal processing systems

Special purpose hardware implementation of DFT Computers and digital filters is considered in the light of newly introduced algorithms and IC devices. Recent work by Winograd on high-speed convolution techniques for computing short length DFT's, has motivated the development of more efficient algorithms, compared to the FFT, for evaluating the transform of longer sequences. Among these, prime factor algorithms appear suitable for special purpose hardware implementations. Architectural considerations in designing DFT computers based on these algorithms are discussed. With the availability of monolithic multiplier-accumulators, a direct implementation of IIR and FIR filters, using random access memories in place of shift registers, appears attractive. The memory addressing scheme involved in such implementations is discussed. A simple counter set-up to address the data memory in the realization of FIR filters is also described. The combination of a set of simple filters (weighting network) and a DFT computer is shown to realize a bank of uniform bandpass filters. The usefulness of this concept in arriving at a modular design for a million channel spectrum analyzer, based on microprocessors, is discussed.

Narasimha, M.↗
DOE OSTI2019

Data Assessment and Assimilation for Atmospheric Radiation Measurement Data Using Dynamic Bayesian Networks

A data-driven machine learning approach to scientific sensor data assessment may automatically learn directly from the structural and temporal patterns in abundant observations. The project has developed data assessment and assimilation models to screen datasets using dynamic Bayesian network (DBN) and deep learning (DL) methods, which rely on correlations between variables, across time, and between spatial locations, to detect poor or invalid data with a high degree of confidence.

97 MATHEMATICS AND COMPUTING↗