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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Low Precision and Efficient Programming Languages for Sustainable AI: Final Report for the Summer Project of 2024

This document contains all relevant material generated during the authors' summer internship at NREL in 2024. This report shows how to improve energy efficiency of a few code samples by using low-precision data types combined with mixed-precision algorithms. The main applications considered here are (i) linear system solvers using mixed precision, and (ii) neural networks using mixed precision. This report also discusses how programming languages affect energy consumption of algorithms, energy metrics for a code and tools, and the available current software and hardware infrastructure.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Snow Depth from AMSR-2 Using Multispectral Satellite Data in an Artificial Neural Network

By using diffusion theory and Monte Carlo lidar radiative transfer simulations, Hu et al. (2022b) has derived snow depth from the first-, second- and third-order moments of the lidar backscattering pathlength distribution. Lu et al. (2022) calculated the snow depth by applying the methods to the satellite ICESat-2 lidar measurements over the Arctic sea ice, as well as land surfaces of Northern Hemisphere. In this paper, an artificial neural network (ANN) algorithm, employing several channels from Advanced Microwave Scanning Radiometer 2 (AMSR-2) and the humidity vertical profiles from Global Modeling and Assimilation Office (GMAO) Goddard Earth Observing System for Instrument Teams (GEOS-IT) product, is trained to determine snow depth identified by time and geolocation matched 2019 ICESat-2 snow-depth data during winter months over the Arctic sea ice. The trained ANN snow-depth was applied to 2018 AMSR-2 clear pixel data, although the algorithms perform reasonably well in thinner clouds. The validation data (different from the training set) of ANN snow depth from AMSR-2 showed a good agreement with time matched and co-located snow-depth values from ICESat-2. The bias was near zero, with mean absolute error (MAE) 0.05 cm and a root-mean-square-error (RMSE) 0.08 cm. Prior applying the trained ANN snow depth to AMSR-2 data, a cloud screening algorithm was developed with a similar approach. A separate ANN cloud mask was trained to determine an AMSR-2 pixel is clear or cloudy with time and geolocation matched 2015 CALIOP Vertical Feature Mask (VFM) over Arctic sea ice. The ANN cloud mask from AMSR-2 under-estimated cloud fraction by 3-6% compared to CALIOP . The additional research is needed to conclusively evaluate the ANN cloud mask accuracy. Finally, this paper will lay the foundation for a sustained long-term snowfall and snow-storm monitoring system. The future Cloud Aerosol LIdar for Global scale Observations of the ocean-Land Atmosphere system (CALIGOLA) mission will provide a means to calculate snow depth from the lidar backscattering pathlength distribution, benefiting from the UV, visible and infrared pulses. With the calculated snow depth as the truth one could develop a machine learning algorithm, as it was done in this paper, using a passive microwave instrument available at that time to generate a wide range of snow depth data, covering extensive spatial areas in the cross-orbit direction.

Neural Network↗
DOE OSTI2021

Galerkin Neural Networks: A Framework for Approximating Variational Equations with Error Control

Herein, we present a new approach to using neural networks to approximate the solutions of variational equations, based on the adaptive construction of a sequence of finite-dimensional sub-spaces whose basis functions are realizations of a sequence of neural networks. Here, the finite-dimensional subspaces are then used to define a standard Galerkin approximation of the variational equation. This approach enjoys a number of advantages, including: the sequential nature of the algorithm offers a systematic approach to enhancing the accuracy of a given approximation; the sequential enhancements provide a useful indicator for the error that can be used as a criterion for terminating the sequential updates; the basic approach is largely oblivious to the nature of the partial differential equation under consideration; and, some basic theoretical results are presented regarding the convergence (or otherwise) of the method which are used to formulate basic guidelines for applying the method.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2019

A Communication Channel Density Estimating Generative Adversarial Network

Autoencoder-based communication systems use neural network channel models to backwardly propagate message reconstruction error gradients across an approximation of the physical communication channel. In this work, we develop and test a new generative adversarial network (GAN) architecture for the purpose of training a stochastic channel approximating neural network. In previous research, investigators have focused on additive white Gaussian noise (AWGN) channels and/or simplified Rayleigh fading channels, both of which are linear and have well defined analytic solutions. Given that training a neural network is computationally expensive, channel approximation networks— and more generally the autoencoder systems—should be evaluated in communication environments that are traditionally difficult. To that end, our investigation focuses on channels that contain a combination of non-linear amplifier distortion, pulse shape filtering, intersymbol interference, frequency-dependent group delay, multipath, and non-Gaussian statistics. Each of our models are trained without any prior knowledge of the channel. We show that the trained models have learned to generalize over an arbitrary amplifier drive level and constellation alphabet. We demonstrate the versatility of our GAN architecture by comparing the marginal probability density function of several channel simulations with that of their corresponding neural network approximations

Smith, Aaron↗
NASA NTRS2004

Neural network uncertainty assessment using Bayesian statistics: a remote sensing application

Neural network (NN) techniques have proved successful for many regression problems, in particular for remote sensing; however, uncertainty estimates are rarely provided. In this article, a Bayesian technique to evaluate uncertainties of the NN parameters (i.e., synaptic weights) is first presented. In contrast to more traditional approaches based on point estimation of the NN weights, we assess uncertainties on such estimates to monitor the robustness of the NN model. These theoretical developments are illustrated by applying them to the problem of retrieving surface skin temperature, microwave surface emissivities, and integrated water vapor content from a combined analysis of satellite microwave and infrared observations over land. The weight uncertainty estimates are then used to compute analytically the uncertainties in the network outputs (i.e., error bars and correlation structure of these errors). Such quantities are very important for evaluating any application of an NN model. The uncertainties on the NN Jacobians are then considered in the third part of this article. Used for regression fitting, NN models can be used effectively to represent highly nonlinear, multivariate functions. In this situation, most emphasis is put on estimating the output errors, but almost no attention has been given to errors associated with the internal structure of the regression model. The complex structure of dependency inside the NN is the essence of the model, and assessing its quality, coherency, and physical character makes all the difference between a blackbox model with small output errors and a reliable, robust, and physically coherent model. Such dependency structures are described to the first order by the NN Jacobians: they indicate the sensitivity of one output with respect to the inputs of the model for given input data. We use a Monte Carlo integration procedure to estimate the robustness of the NN Jacobians. A regularization strategy based on principal component analysis is proposed to suppress the multicollinearities in order to make these Jacobians robust and physically meaningful.

Neural Networks (Computer)↗
DOE OSTI2025

Gradient-based optimization of complex nanoparticle heterostructures enabled by deep learning on heterogeneous graphs

Applications of deep learning (DL) to design nanomaterials are hampered by a lack of suitable data representations and training data. Here, in this study, we report efforts to overcome these limitations and leverage DL to optimize the nonlinear optical properties of core–shell upconverting nanoparticles (UCNPs). UCNPs, which have applications in fields such as biosensing, super-resolution microscopy and three-dimensional printing, can emit visible and ultraviolet light from near-infrared excitations. We report a large-scale dataset of UCNP emission spectra based on accurate but expensive kinetic Monte Carlo simulations (N > 6,000) and use these data to train a heterogeneous graph neural network using a physically motivated representation of UCNP nanostructure. Applying gradient-based optimization on the trained graph neural network, we identify structures with 6.5× higher predicted emission under 800-nm illumination than any UCNP in our training set. Our work reveals design principles for UCNP heterostructures and presents a roadmap for DL-based inverse design of nanomaterials.

Sivonxay, Eric [Lawrence Berkeley National Laborat↗
NASA NTRS2004

Selected Flight Test Results for Online Learning Neural Network-Based Flight Control System

The NASA F-15 Intelligent Flight Control System project team has developed a series of flight control concepts designed to demonstrate the benefits of a neural network-based adaptive controller. The objective of the team is to develop and flight-test control systems that use neural network technology to optimize the performance of the aircraft under nominal conditions as well as stabilize the aircraft under failure conditions. Failure conditions include locked or failed control surfaces as well as unforeseen damage that might occur to the aircraft in flight. This report presents flight-test results for an adaptive controller using stability and control derivative values from an online learning neural network. A dynamic cell structure neural network is used in conjunction with a real-time parameter identification algorithm to estimate aerodynamic stability and control derivative increments to the baseline aerodynamic derivatives in flight. This set of open-loop flight tests was performed in preparation for a future phase of flights in which the learning neural network and parameter identification algorithm output would provide the flight controller with aerodynamic stability and control derivative updates in near real time. Two flight maneuvers are analyzed a pitch frequency sweep and an automated flight-test maneuver designed to optimally excite the parameter identification algorithm in all axes. Frequency responses generated from flight data are compared to those obtained from nonlinear simulation runs. An examination of flight data shows that addition of the flight-identified aerodynamic derivative increments into the simulation improved the pitch handling qualities of the aircraft.

Williams, Peggy S.↗
NASA NTRS2004

Neural Network for Image-to-Image Control of Optical Tweezers

A method is discussed for using neural networks to control optical tweezers. Neural-net outputs are combined with scaling and tiling to generate 480 by 480-pixel control patterns for a spatial light modulator (SLM). The SLM can be combined in various ways with a microscope to create movable tweezers traps with controllable profiles. The neural nets are intended to respond to scattered light from carbon and silicon carbide nanotube sensors. The nanotube sensors are to be held by the traps for manipulation and calibration. Scaling and tiling allow the 100 by 100-pixel maximum resolution of the neural-net software to be applied in stages to exploit the full 480 by 480-pixel resolution of the SLM. One of these stages is intended to create sensitive null detectors for detecting variations in the scattered light from the nanotube sensors.

Decker, Arthur J.↗
DOE OSTI2024

Upsampling Monte Carlo reactor simulation tallies in depleted LWR assemblies fueled with LEU and HALEU using a convolutional neural network

Simulating nuclear reactor cores at the highest achievable spatial and energy resolution is critical in modeling these systems accurately. Increasing the resolution, however, can dramatically increase the memory and central processing unit time required to run simulations. A convolutional neural network was shown previously to accurately upsample tally results of simulated light water reactor assemblies fueled with fresh, low enriched uranium. Here, we show that a convolutional neural network can be used to upsample tally results in assemblies containing fresh and depleted fuel enriched from 1.6 to 19.9 atom percent. The network was trained using neutron flux tallies from simulations of light water reactor assemblies with a range of fuel and coolant temperatures and a diverse selection of geometries. Accurate predictions of flux tallies are possible even on test assemblies with geometries and burnup levels well outside the range of those present in the training and validation data. The network improves the data density by a factor of 8 over a broad range of light water reactor assemblies while incurring insignificant additional computational cost to a Monte Carlo simulation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1990

Auto-programmable impulse neural circuits

Impulse neural networks use pulse trains to communicate neuron activation levels. Impulse neural circuits emulate natural neurons at a more detailed level than that typically employed by contemporary neural network implementation methods. An impulse neural circuit which realizes short term memory dynamics is presented. The operation of that circuit is then characterized in terms of pulse frequency modulated signals. Both fixed and programmable synapse circuits for realizing long term memory are also described. The implementation of a simple and useful unsupervised learning law is then presented. The implementation of a differential Hebbian learning rule for a specific mean-frequency signal interpretation is shown to have a straightforward implementation using digital combinational logic with a variation of a previously developed programmable synapse circuit. This circuit is expected to be exploited for simple and straightforward implementation of future auto-adaptive neural circuits.

Watula, D.↗
DOE OSTI2021

Testing the reliability of interpretable neural networks in geoscience using the Madden–Julian oscillation

Abstract. We test the reliability of two neural network interpretation techniques, backward optimization and layerwise relevance propagation, within geoscientific applications by applying them to a commonly studied geophysical phenomenon, the Madden–Julian oscillation. The Madden–Julian oscillation is a multi-scale pattern within the tropical atmosphere that has been extensively studied over the past decades, which makes it an ideal test case to ensure the interpretability methods can recover the current state of knowledge regarding its spatial structure. The neural networks can, indeed, reproduce the current state of knowledge and can also provide new insights into the seasonality of the Madden–Julian oscillation and its relationships with atmospheric state variables. The neural network identifies the phase of the Madden–Julian oscillation twice as accurately as a linear regression approach, which means that nonlinearities used by the neural network are important to the structure of the Madden–Julian oscillation. Interpretations of the neural network show that it accurately captures the spatial structures of the Madden–Julian oscillation, suggest that the nonlinearities of the Madden–Julian oscillation are manifested through the uniqueness of each event, and offer physically meaningful insights into its relationship with atmospheric state variables. We also use the interpretations to identify the seasonality of the Madden–Julian oscillation and find that the conventionally defined extended seasons should be shifted later by 1 month. More generally, this study suggests that neural networks can be reliably interpreted for geoscientific applications and may thereby serve as a dependable method for testing geoscientific hypotheses.

58 GEOSCIENCES↗
DOE OSTI2022

Bioplastic design using multitask deep neural networks

Abstract Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world’s plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. Here, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23,000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world’s yearly plastic production. We also discuss possible synthesis routes for the identified promising materials.

36 MATERIALS SCIENCE↗
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

Constructing Neural Network Based Models for Simulating Dynamical Systems

Dynamical systems see widespread use in natural sciences like physics, biology, and chemistry, as well as engineering disciplines such as circuit analysis, computational fluid dynamics, and control. For simple systems, the differential equations governing the dynamics can be derived by applying fundamental physical laws. However, for more complex systems, this approach becomes exceedingly difficult. Data-driven modeling is an alternative paradigm that seeks to learn an approximation of the dynamics of a system using observations of the true system. In recent years, there has been an increased interest in applying data-driven modeling techniques to solve a wide range of problems in physics and engineering. Here this article provides a survey of the different ways to construct models of dynamical systems using neural networks. In addition to the basic overview, we review the related literature and outline the most significant challenges from numerical simulations that this modeling paradigm must overcome. Based on the reviewed literature and identified challenges, we provide a discussion on promising research areas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Efficient Neural Network Approaches for Conditional Optimal Transport with Applications in Bayesian Inference

In this work, we present two neural network approaches that approximate the solutions of static and dynamic conditional optimal transport (COT) problems. Both approaches enable conditional sampling and conditional density estimation, which are core tasks in Bayesian inference—particularly in the simulation-based (“likelihood-free”) setting. Our methods represent the target conditional distribution as a transformation of a tractable reference distribution. Obtaining such a transformation, chosen here to be an approximation of the COT map, is computationally challenging even in moderate dimensions. To improve scalability, our numerical algorithms use neural networks to parameterize candidate maps and further exploit the structure of the COT problem. Our static approach approximates the map as the gradient of a partially input convex neural network. It uses a novel numerical implementation to increase computational efficiency compared to state-of-the-art alternatives. Our dynamic approach approximates the conditional optimal transport via the flow map of a regularized neural ODE; compared to the static approach, it is slower to train but offers more modeling choices and can lead to faster sampling. We demonstrate both algorithms numerically, comparing them with competing state-of-the-art approaches, using benchmark datasets and simulation-based Bayesian inverse problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Cohort organized learning: clustering through agreement

In this article we describe cohort organized learning (CoOL), a method for clustering data without explicit distance or similarity computations. Herein, we will describe CoOL, derive the gradients determined by expectation maximization to train the networks, show how to monitor convergence during training and evaluate the clusters after training, and discuss a series of examples and use cases. We also discuss CoOL’s limitations and future prospects on related tasks. Because CoOL uses neural networks to estimate the clusters, it can be used to cluster any data that can be made compatible and we illustrate this on vector data and images.

clustering↗
NASA NTRS1991

Pulse-firing winner-take-all networks

Winner-take-all (WTA) neural networks using pulse-firing processing elements are introduced. In the pulse-firing WTA (PWTA) networks described, input and activation signal shunting is controlled by one shared lateral inhibition signal. This organization yields an O(n) area complexity that is convenient for integrated circuit implementation. Appropriately specified network parameters allow for the accurate continuous evaluation of inputs using a signal representation compatible with established pulse-firing neural network implementations.

Meador, Jack L.↗
NASA NTRS2001

Integrated Neural Flight and Propulsion Control System

This paper describes an integrated neural flight and propulsion control system. which uses a neural network based approach for applying alternate sources of control power in the presence of damage or failures. Under normal operating conditions, the system utilizes conventional flight control surfaces. Neural networks are used to provide consistent handling qualities across flight conditions and for different aircraft configurations. Under damage or failure conditions, the system may utilize unconventional flight control surface allocations, along with integrated propulsion control, when additional control power is necessary for achieving desired flight control performance. In this case, neural networks are used to adapt to changes in aircraft dynamics and control allocation schemes. Of significant importance here is the fact that this system can operate without emergency or backup flight control mode operations. An additional advantage is that this system can utilize, but does not require, fault detection and isolation information or explicit parameter identification. Piloted simulation studies were performed on a commercial transport aircraft simulator. Subjects included both NASA test pilots and commercial airline crews. Results demonstrate the potential for improving handing qualities and significantly increasing survivability rates under various simulated failure conditions.

Kaneshige, John↗