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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 1,765 records · Page 98

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Neuromorphic learning with Mott insulator NiO

Habituation and sensitization (nonassociative learning) are among the most fundamental forms of learning and memory behavior present in organisms that enable adaptation and learning in dynamic environments. Emulating such features of intelligence found in nature in the solid state can serve as inspiration for algorithmic simulations in artificial neural networks and potential use in neuromorphic computing. In this work, we demonstrate nonassociative learning with a prototypical Mott insulator, nickel oxide (NiO), under a variety of external stimuli at and above room temperature. Similar to biological species such as Aplysia, habituation and sensitization of NiO possess time-dependent plasticity relying on both strength and time interval between stimuli. A combination of experimental approaches and first-principles calculations reveals that such learning behavior of NiO results from dynamic modulation of its defect and electronic structure. An artificial neural network model inspired by such nonassociative learning is simulated to show advantages for an unsupervised clustering task in accuracy and reducing catastrophic interference, which could help mitigate the stability–plasticity dilemma. Mott insulators can therefore serve as building blocks to examine learning behavior noted in biology and inspire new learning algorithms for artificial intelligence.

42 ENGINEERING↗

DOE OSTI2021

TensorBNN: Bayesian inference for neural networks using TensorFlow

We report that TensorBNN is a new package based on TensorFlow that implements Bayesian inference for modern neural network models. The posterior density of neural network model parameters is represented as a point cloud sampled using Hamiltonian Monte Carlo. The TensorBNN package leverages TensorFlow's architecture and its ability to use modern graphics processing units in both the training and prediction stages.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Computational design of highly signalling-active membrane receptors through solvent-mediated allosteric networks

Abstract Protein catalysis and allostery require the atomic-level orchestration and motion of residues and ligand, solvent and protein effector molecules. However, the ability to design protein activity through precise protein–solvent cooperative interactions has not yet been demonstrated. Here we report the design of 14 membrane receptors that catalyse G protein nucleotide exchange through diverse engineered allosteric pathways mediated by cooperative networks of intraprotein, protein–ligand and –solvent molecule interactions. Consistent with predictions, the designed protein activities correlated well with the level of plasticity of the networks at flexible transmembrane helical interfaces. Several designs displayed considerably enhanced thermostability and activity compared with related natural receptors. The most stable and active variant crystallized in an unforeseen signalling-active conformation, in excellent agreement with the design models. The allosteric network topologies of the best designs bear limited similarity to those of natural receptors and reveal an allosteric interaction space larger than previously inferred from natural proteins. The approach should prove useful for engineering proteins with novel complex protein binding, catalytic and signalling activities.

Chemistry↗

DOE OSTI2024

Enhanced read resolution in reconfigurable memristive synapses for Spiking Neural Networks

Abstract The synapse is a key element circuit in any memristor-based neuromorphic computing system. A memristor is a two-terminal analog memory device. Memristive synapses suffer from various challenges including high voltage, SET or RESET failure, and READ margin issues that can degrade the distinguishability of stored weights. Enhancing READ resolution is very important to improving the reliability of memristive synapses. Usually, the READ resolution is very small for a memristive synapse with a 4-bit data precision. This work considers a step-by-step analysis to enhance the READ current resolution or the read current difference between two resistance levels for a current-controlled memristor-based synapse. An empirical model is used to characterize the $${\hbox {HfO}}_{2}$$ HfO 2 based memristive device. $$1\textrm{st}$$ 1 st and $$2\textrm{nd}$$ 2 nd stage device of our proposed synapse design can be scaled to enhance the READ current margin up to $$\sim$$ ∼ 4.3 $$\times$$ × and $$\sim$$ ∼ 21%, respectively. Moreover, READ current resolution can be enhanced with run-time adaptation techniques such as READ voltage scaling and body biasing. The READ voltage scaling and body biasing can improve the READ current resolution by about 46% and 15%, respectively. TENNLab’s neuromorphic computing framework is leveraged to evaluate the effect of READ current resolution on classification, control, and reservoir computing applications. Higher READ current resolution shows better accuracy than lower resolution even when facing different levels of read noise.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1975

Application of the CINGEN program a thermal network data generator

The application of the CINGEN computer program and two of its supporting programs for the evaluation of structural and thermal performance of physical systems was described. The CINGEN program was written and implemented to avoid the duplication effort of performing a finite element approach for structural analysis and a finite differencing technique for thermal analysis, as well as the desire for a geometrical representation of the thermal model to reduce modeling errors. The program simplifies the thermal modeling process by performing all of the capacitance and conductance calculations normally done by the analyst. Each solid element is divided into five tetrahedrons, allowing the total volume to be calculated precisely. A sample problem was illustrated.

Shultz, W. E.↗

NASA NTRS1991

Non-parametric analysis of LANDSAT maps using neural nets and parallel computers

Nearest neighbor approaches and a new neural network, the Binary Diamond, are used for the classification of images of ground pixels obtained by LANDSAT satellite. The performances are evaluated by comparing classifications of a scene in the vicinity of Washington DC. The problem of optimal selection of categories is addressed as a step in the classification process.

Salu, Yehuda↗

DOE OSTI2023

Multifidelity Neural Network Formulations for Prediction of Reactive Molecular Potential Energy Surfaces

Here, this paper focuses on the development of multifidelity modeling approaches using neural network surrogates, where training data arising from multiple model forms and resolutions are integrated to predict high-fidelity response quantities of interest at lower cost. We focus on the context of quantum chemistry and the integration of information from multiple levels of theory. Important foundations include the use of symmetry function-based atomic energy vector constructions as feature vectors for representing structures across families of molecules and single-fidelity neural network training capabilities that learn the relationships needed to map feature vectors to potential energy predictions. These foundations are embedded within several multifidelity topologies that decompose the high-fidelity mapping into model-based components, including sequential formulations that admit a general nonlinear mapping across fidelities and discrepancy-based formulations that presume an additive decomposition. Methodologies are first explored and demonstrated on a pair of simple analytical test problems and then deployed for potential energy prediction for C 5 H 5 using B2PLYP-D3/6-311++G(d,p) for high-fidelity simulation data and Hartree–Fock 6-31G for low-fidelity data. For the common case of limited access to high-fidelity data, our computational results demonstrate that multifidelity neural network potential energy surface constructions achieve roughly an order of magnitude improvement, either in terms of test error reduction for equivalent total simulation cost or reduction in total cost for equivalent error.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Trustworthy Physics-Informed Deep Learning for Predictive Scientific Computing

This project has developed powerful trustworthy physics-informed deep learning (TPiDL) models and methods to fundamentally enhance the scale and power of computational modeling in the scientific and engineering domains. Deep learning (DL) has radically advanced the state-of-the-art in machine learning, computer vision, natural language processing, and also scientific computing. Nevertheless, progress has been driven almost entirely by empirical observations, hacks, and tricks. Under the support of this project, the graph operator learning tools and advanced trustworthy physical informed neural networks have been developed. In addition, stochastic gradient replica-exchange Markov Chain Monte Carlo (MCMC) sampling algorithms have been designed to quantify the uncertainties and speed up the training of large-scale neural networks.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2003

Software for Managing Parametric Studies

The Information Power Grid Virtual Laboratory (ILab) is a Practical Extraction and Reporting Language (PERL) graphical-user-interface computer program that generates shell scripts to facilitate parametric studies performed on the Grid. (The Grid denotes a worldwide network of supercomputers used for scientific and engineering computations involving data sets too large to fit on desktop computers.) Heretofore, parametric studies on the Grid have been impeded by the need to create control language scripts and edit input data files painstaking tasks that are necessary for managing multiple jobs on multiple computers. ILab reflects an object-oriented approach to automation of these tasks: All data and operations are organized into packages in order to accelerate development and debugging. A container or document object in ILab, called an experiment, contains all the information (data and file paths) necessary to define a complex series of repeated, sequenced, and/or branching processes. For convenience and to enable reuse, this object is serialized to and from disk storage. At run time, the current ILab experiment is used to generate required input files and shell scripts, create directories, copy data files, and then both initiate and monitor the execution of all computational processes.

Yarrow, Maurice↗

NASA NTRS1990

Design Graphics

A mathematician, David R. Hedgley, Jr. developed a computer program that considers whether a line in a graphic model of a three-dimensional object should or should not be visible. Known as the Hidden Line Computer Code, the program automatically removes superfluous lines and displays an object from a specific viewpoint, just as the human eye would see it. An example of how one company uses the program is the experience of Birdair which specializes in production of fabric skylights and stadium covers. The fabric called SHEERFILL is a Teflon coated fiberglass material developed in cooperation with DuPont Company. SHEERFILL glazed structures are either tension structures or air-supported tension structures. Both are formed by patterned fabric sheets supported by a steel or aluminum frame or cable network. Birdair uses the Hidden Line Computer Code, to illustrate a prospective structure to an architect or owner. The program generates a three- dimensional perspective with the hidden lines removed. This program is still used by Birdair and continues to be commercially available to the public.

Source record↗

DOE OSTI2025

Jensen–Shannon divergence based novel loss functions for Bayesian neural networks

Bayesian neural networks (BNNs) are state-of-the-art machine learning methods that can naturally regularize and systematically quantify uncertainties using their stochastic parameters. Kullback–Leibler (KL) divergence-based variational inference used in BNNs suffer from unstable optimization and challenges in approximating light-tailed posteriors due to the unbounded nature of the KL divergence. To resolve these issues, we formulate a novel loss function for BNNs based on a new modification to the generalized Jensen–Shannon (JS) divergence, which is bounded. In addition, we propose a Geometric JS divergence-based loss, which is computationally efficient since it can be evaluated analytically. We found that the JS divergence-based variational inference is intractable, and hence employed a constrained optimization framework to formulate these losses. Our theoretical analysis and empirical experiments on multiple regression and classification data sets suggest that the proposed losses perform better than the KL divergence-based loss, especially when the data sets are noisy or biased. Specifically, there are approximately 5% and 8% improvements in accuracy for a noise-added CIFAR-10 dataset and a regression dataset, respectively. There is about 13% reduction in false negative predictions of a biased histopathology dataset. Additionally, we quantify and compare the uncertainty metrics for the regression and classification tasks.

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

The Runtime for Airspace Concept Evaluation (RACE) is an open-source software architecture and framework to build configurable, highly concurrent and distributed message-based systems that offer scalable, low-latency performance on commodity hardware. RACE was used in commercial aviation applications to rapidly build systems that span several machines (including synchronized displays), interface existing hardware simulators and other live data feeds, and incorporate sophisticated visualization components such as NASA WorldWind. These RACE applications validated elements of the FAA’s System Wide Information Management (SWIM) Program, handling up to 1000 messages/sec from diverse sources (SFDPS, TFM-DATA, TAIS, ASDE-X, ITWS and local ADS) for 4,500 simultaneous flights tracked in the next-generation air transportation system’s digital backbone. We have since generalized RACE to support Open Data Integration (ODIN) applications outside aviation. Systems built with RACE/ODIN can be deployed in the field, on commodity hardware, and operate with limited or intermittent connectivity to the outside world. Our primary use case is a web-server with local/persistent data storage that runs within and only serves the stakeholder network (e.g. an incident command post). We are tailoring the RACE/ODIN system to support wildland fire management for the upcoming NASA Wildland Fire Safety Demonstration Series. RACE-ODIN is under consideration for application in the Scalable Traffic Management for Emergency Response Operations project, or STEReO, which aims to create a system that can be deployed during emergencies, to coordinate multiple elements of disaster response. Such data sources predominantly come from existing services on the internet (e.g. weather and satellite data, imported from so called "edge servers") but can also include dynamic (real-time) data from computer simulations and within the stakeholder network (such as aircraft and personnel tracking information). We will present the architecture and ODIN system demonstration incorporating local data from instrumented power-line towers, interpolated weather data and geospatial data from space-based platforms.

Joseph C Coughlan↗

NASA NTRSDate not supplied

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

Guillaume P Brat↗

DOE OSTI2022

Probabilistic Neural Computing with Stochastic Devices

Abstract The brain has effectively proven a powerful inspiration for the development of computing architectures in which processing is tightly integrated with memory, communication is event‐driven, and analog computation can be performed at scale. These neuromorphic systems increasingly show an ability to improve the efficiency and speed of scientific computing and artificial intelligence applications. Herein, it is proposed that the brain's ubiquitous stochasticity represents an additional source of inspiration for expanding the reach of neuromorphic computing to probabilistic applications. To date, many efforts exploring probabilistic computing have focused primarily on one scale of the microelectronics stack, such as implementing probabilistic algorithms on deterministic hardware or developing probabilistic devices and circuits with the expectation that they will be leveraged by eventual probabilistic architectures. A co‐design vision is described by which large numbers of devices, such as magnetic tunnel junctions and tunnel diodes, can be operated in a stochastic regime and incorporated into a scalable neuromorphic architecture that can impact a number of probabilistic computing applications, such as Monte Carlo simulations and Bayesian neural networks. Finally, a framework is presented to categorize increasingly advanced hardware‐based probabilistic computing technologies.

Misra, Shashank↗

NASA NTRS1997

Predicting Cost/Performance Trade-Offs for Whitney: A Commodity Computing Cluster

Recent advances in low-end processor and network technology have made it possible to build a "supercomputer" out of commodity components. We develop simple models of the NAS Parallel Benchmarks version 2 (NPB 2) to explore the cost/performance trade-offs involved in building a balanced parallel computer supporting a scientific workload. We develop closed form expressions detailing the number and size of messages sent by each benchmark. Coupling these with measured single processor performance, network latency, and network bandwidth, our models predict benchmark performance to within 30%. A comparison based on total system cost reveals that current commodity technology (200 MHz Pentium Pros with 100baseT Ethernet) is well balanced for the NPBs up to a total system cost of around $1,000,000.

Becker, Jeffrey C.↗

DOE OSTI2026

Accelerating kinetic plasma simulations with machine-learning-generated initial conditions

Computational models of plasma technologies often solve for the system operating conditions by time-stepping an initial value problem to a quasi-steady solution. However, the strongly nonlinear and multi-timescale nature of plasma dynamics often necessitate millions, or even hundreds of millions, of steps to reach convergence, reducing the effectiveness of these simulations for computer-aided engineering. We consider acceleration of kinetic plasma simulations via data-driven machine-learning-generated initial conditions, which initialize the simulations close to their final quasi-steady-state, thereby reducing the number of steps to reach convergence. Three machine-learning models are developed to predict the density and ion kinetic profiles of capacitively coupled plasma discharges relevant to the microelectronics industry. The models are trained on kinetic simulations over a range of device operating frequencies and pressures. Best performance was observed when simulations were initialized with ion kinetic profiles generated by a convolutional neural network, reducing the mean number of steps to reach convergence by 17.1× when compared to initialization with a zero-dimensional global model. We also outline a workflow for continuous data-driven model improvement and simulation speedup, with the aim of generating sufficient data for full device digital twins.

Artificial neural networks↗

NASA NTRS1989

A few modeling and rendering techniques for computer graphics and their implementation on ultra hardware

Ultra network is a recently installed very high speed graphic hardware at NASA Langley Research Center. The Ultra Network interfaced to Voyager through its HSX channel is capable of transmitting up to 800 million bits of information per second. It is capable of displaying fifteen to twenty frames of precomputed images of size 1024 x 2368 with 24 bits of color information per pixel per second. Modeling and rendering techniques are being developed in computer graphics and implemented on Ultra hardware. A ray tracer is being developed for use at the Flight Software and Graphic branch. Changes were made to make the ray tracer compatible with Voyager.

Bidasaria, Hari↗

DOE OSTI2024

The Effect of the Prior and the Experimental Design on the Inference of the Precision Matrix in Gaussian Chain Graph Models

Here, we investigate whether (and how) experimental design could aid in the estimation of the precision matrix in a Gaussian chain graph model, especially the interplay between the design, the effect of the experiment and prior knowledge about the effect. Estimation of the precision matrix is a fundamental task to infer biological graphical structures like microbial networks. We compare the marginal posterior precision of the precision matrix under four priors: flat, conjugate Normal-Wishart, Normal-MGIG and a general independent. Under the flat and conjugate priors, the Laplace-approximated posterior precision is not a function of the design matrix rendering useless any efforts to find an optimal experimental design to infer the precision matrix. In contrast, the Normal-MGIG and general independent priors do allow for the search of optimal experimental designs, yet there is a sharp upper bound on the information that can be extracted from a given experiment. We confirm our theoretical findings via a simulation study comparing (i) the KL divergence between prior and posterior and (ii) the Stein’s loss difference of MAPs between random and no experiment. Our findings provide practical advice for domain scientists conducting experiments to better infer the precision matrix as a representation of a biological network.

54 ENVIRONMENTAL SCIENCES↗