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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Utilization of Synthetic Near-Infrared Spectra via Generative Adversarial Network to Improve Wood Stiffness Prediction

Near-infrared (NIR) spectroscopy is widely used as a nondestructive evaluation (NDE) tool for predicting wood properties. When deploying NIR models, one faces challenges in ensuring representative training data, which large datasets can mitigate but often at a significant cost. Machine learning and deep learning NIR models are at an even greater disadvantage because they typically require higher sample sizes for training. In this study, NIR spectra were collected to predict the modulus of elasticity (MOE) of southern pine lumber (training set = 573 samples, testing set = 145 samples). To account for the limited size of the training data, this study employed a generative adversarial network (GAN) to generate synthetic NIR spectra. The training dataset was fed into a GAN to generate 313, 573, and 1000 synthetic spectra. The original and enhanced datasets were used to train artificial neural networks (ANNs), convolutional neural networks (CNNs), and light gradient boosting machines (LGBMs) for MOE prediction. Overall, results showed that data augmentation using GAN improved the coefficient of determination (R 2 ) by up to 7.02% and reduced the error of predictions by up to 4.29%. ANNs and CNNs benefited more from synthetic spectra than LGBMs, which only yielded slight improvement. All models showed optimal performance when 313 synthetic spectra were added to the original training data; further additions did not improve model performance because the quality of the datapoints generated by GAN beyond a certain threshold is poor, and one of the main reasons for this can be the size of the initial training data fed into the GAN. LGBMs showed superior performances than ANNs and CNNs on both the original and enhanced training datasets, which highlights the significance of selecting an appropriate machine learning or deep learning model for NIR spectral-data analysis. The results highlighted the positive impact of GAN on the predictive performance of models utilizing NIR spectroscopy as an NDE technique and monitoring tool for wood mechanical-property evaluation. Further studies should investigate the impact of the initial size of training data, the optimal number of generated synthetic spectra, and machine learning or deep learning models that could benefit more from data augmentation using GANs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Extending the SAGA Survey (xSAGA). I. Satellite Radial Profiles as a Function of Host-galaxy Properties

We present "Extending the Satellites Around Galactic Analogs Survey" (xSAGA), a method for identifying low-z galaxies on the basis of optical imaging and results on the spatial distributions of xSAGA satellites around host galaxies. Using spectroscopic redshift catalogs from the SAGA Survey as a training data set, we have optimized a convolutional neural network (CNN) to identify z < 0.03 galaxies from more-distant objects using image cutouts from the DESI Legacy Imaging Surveys. From the sample of >100,000 CNN-selected low-z galaxies, we identify >20,000 probable satellites located between 36–300 projected kpc from NASA-Sloan Atlas central galaxies in the stellar-mass range $9.5\lt \mathrm{log}({M}_{\star }/{M}_{\odot })\lt 11$. We characterize the incompleteness and contamination for CNN-selected samples and apply corrections in order to estimate the true number of satellites as a function of projected radial distance from their hosts. Satellite richness depends strongly on host stellar mass, such that more-massive host galaxies have more satellites, and on host morphology, such that elliptical hosts have more satellites than disky hosts with comparable stellar masses. We also find a strong inverse correlation between satellite richness and the magnitude gap between a host and its brightest satellite. The normalized satellite radial distribution between 36–300 kpc does not depend on host stellar mass, morphology, or magnitude gap. The satellite abundances and radial distributions we measure are in reasonable agreement with predictions from hydrodynamic simulations. Our results deliver unprecedented statistical power for studying satellite galaxy populations and highlight the promise of using machine-learning for extending galaxy samples of wide-area surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Photo-zSNthesis: Converting Type Ia Supernova Lightcurves to Redshift Estimates via Deep Learning

Abstract Upcoming photometric surveys will discover tens of thousands of Type Ia supernovae (SNe Ia), vastly outpacing the capacity of our spectroscopic resources. In order to maximize the scientific return of these observations in the absence of spectroscopic information, we must accurately extract key parameters, such as SN redshifts, with photometric information alone. We present Photo- z SNthesis, a convolutional neural network-based method for predicting full redshift probability distributions from multi-band supernova lightcurves, tested on both simulated Sloan Digital Sky Survey (SDSS) and Vera C. Rubin Legacy Survey of Space and Time data as well as observed SDSS SNe. We show major improvements over predictions from existing methods on both simulations and real observations as well as minimal redshift-dependent bias, which is a challenge due to selection effects, e.g., Malmquist bias. Specifically, we show a 61× improvement in prediction bias 〈Δ z 〉 on PLAsTiCC simulations and 5× improvement on real SDSS data compared to results from a widely used photometric redshift estimator, LCFIT+Z. The PDFs produced by this method are well constrained and will maximize the cosmological constraining power of photometric SNe Ia samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

New Measurements of the Lyα Forest Continuum and Effective Optical Depth with LyCAN and DESI Y1 Data

Abstract We present the Ly α Continuum Analysis Network (LyCAN), a convolutional neural network that predicts the unabsorbed quasar continuum within the rest-frame wavelength range of 1040–1600 Å based on the red side of the Ly α emission line (1216–1600 Å). We developed synthetic spectra based on a Gaussian mixture model representation of nonnegative matrix factorization (NMF) coefficients. These coefficients were derived from high-resolution, low-redshift ( z < 0.2) Hubble Space Telescope/Cosmic Origins Spectrograph (COS) quasar spectra. We supplemented this COS-based synthetic sample with an equal number of DESI Year 5 mock spectra. LyCAN performs extremely well on testing sets, achieving a median error in the forest region of 1.5% on the DESI mock sample, 2.0% on the COS-based synthetic sample, and 4.1% on the original COS spectra. LyCAN outperforms principal component analysis (PCA) and NMF-based prediction methods using the same training set by 40% or more. We predict the intrinsic continua of 83,635 DESI Year 1 spectra in the redshift range of 2.1 ≤ z ≤ 4.2 and perform an absolute measurement of the evolution of the effective optical depth. This is the largest sample employed to measure the optical depth evolution to date. We fit a power law of the form τ ( z ) = τ 0 ( 1 + z ) γ to our measurements and find τ 0 = (2.46 ± 0.14) × 10 −3 and γ = 3.62 ± 0.04. Our results show particular agreement with high-resolution, ground-based observations around z = 2, indicating that LyCAN is able to predict the quasar continuum in the forest region with only spectral information outside the forest.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A Deep Learning Modeling Framework to Capture Mixing Patterns in Reactive-Transport Systems

Prediction and control of chemical mixing are vital for many scientific areas such as subsurface reactive transport, climate modeling, combustion, epidemiology, and pharmacology. Due to the complex nature of mixing in heterogeneous and anisotropic media, the mathematical models related to this phenomenon are not analytically tractable. Numerical simulations often provide a viable route to predict chemical mixing accurately. However, contemporary modeling approaches for mixing cannot utilize available spatial-temporal data to improve the accuracy of the future prediction and can be compute-intensive, especially when the spatial domain is large and for long-term temporal predictions. To address this knowledge gap, in this work we will present in this paper a deep learning (DL) modeling framework applied to predict the progress of chemical mixing under fast bimolecular reactions. This framework uses convolutional neural networks (CNN) for capturing spatial patterns and long short-term memory (LSTM) networks for forecasting temporal variations in mixing. By careful design of the framework—placement of non-negative constraint on the weights of the CNN and the selection of activation function, the framework ensures non-negativity of the chemical species at all spatial points and for all times. Our DL-based framework is fast, accurate, and requires minimal data for training. The time needed to obtain a forecast using the model is a fraction (≈ O(-6)) of the time needed to obtain the result using a high-fidelity simulation. To achieve an error of 10% (measured using the infinity norm) for capturing local-scale mixing features such as interfacial mixing, only 24% to 32% of the sequence data for model training is required. To achieve the same level of accuracy for capturing global-scale mixing features, the sequence data required for model training is 64% to 70% of the total spatial-temporal data. Hence, the proposed approach—a fast and accurate way to forecast long-time spatial-temporal mixing patterns in heterogeneous and anisotropic media—will be a valuable tool for modeling reactive-transport in a wide range of applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

RU Net for Automatic Characterization of TRISO Fuel Cross Sections

TRistructural ISOtropic (TRISO) particle fuel is a type of nuclear fuel known for its high-temperature and high-burnup performance. Each sub-millimeter diameter TRISO particle consists of uranium-oxycarbide (UCO) or UO2 fuel kernel, coated with buffer, inner pyrolytic carbon (IPyC), silicon carbide (SiC), and outer pyrolytic carbon (OPyC) layers. The SiC layer acts as the main containment barrier for the TRISO particle to retain the fission products, while the IPyC and OPyC layers provide additional barriers to the release of fission products, especially fission gases. During irradiation, phenomena like kernel swelling, buffer densification, and IPyC fracture may impact fuel performance. Post-irradiation microscopy on entire compact cross sections or samples of individual particles deconsolidated from compacts is often used to identify these irradiation-induced changes in morphology. However, each fuel compact generally contains thousands of TRISO particles. To get statistical information on these phenomena, it is cumbersome work if done manually. For example, to get information about swelling/densification behaviors of different layers or kernels after irradiation, researchers previously manually measured the perimeter of each TRISO layer in hundreds of particles after four rounds of iterative grinding and polishing encompassing more than 2000 cross-section images for a total of four fuel compacts. To attempt to reduce the subjectivity inherent in that process and accelerate data analysis, we conducted a study on the automatic TRISO layer segmentation on cross-sectional microscopic images using Convolutional Neural Networks (CNNs). CNNs are a class of machine learning algorithms specifically designed for processing structured grid data that have gained popularity in recent years due to their remarkable performance in various computer vision tasks, including image classification, object detection, and image segmentation. In this research, we have generated the large irradiated TRISO layer dataset with more than 2000 cross-section TRISO microscopic images and the corresponding annotated images. Based on these annotated images, we have employed different CNNs for automatic segmentation of different TRISO layers. These include RU-Net (developed in this study), as well as three existing architectures: U-Net, Residual Network (ResNet), and Attention U-Net. The preliminary results show that the model based on RU-Net has the best performance in terms of intersection-over-union (IoU). Through the aid of these CNN models, we can expedite the analysis of TRISO particle cross-sections, significantly reducing the manual labor involved and improving the objectivity of the segmentation results.

Convolutional Neural Networks↗
NASA NTRS2000

Coupled receiver-decoders

This paper describes coupled receiver-decoder architectures for suppressed carrier convolutionally-coded signals and residual carrier turbo-coded signals.

convolutional codes turbo codes receiver decoder j↗
NASA NTRS2004

Measurement of Device Parameters Using Image Recovery Techniques in Large-Scale IC Devices

Devices that respond to radiation on a cell level will produce histograms showing the relative frequency of cell damage as a function of damage. The measured distribution is the convolution of distributions from radiation responses, measurement noise, and manufacturing parameters. A method of extracting device characteristics and parameters from measured distributions via mathematical and image subtraction techniques is described.

radiation↗
NASA NTRSDate not supplied

Predicting Adverse Events and their Precursors in Aviation Using Multi-Class Multiple-Instance Learning

In recent years, there has been a rapid growth in the application of machine learning techniques that leverage aviation data collected from commercial airline operations to improve safety. Anomaly detection and predictive maintenance have been the main targets for machine learning applications. However, this paper focuses on the identification of precursors, which is a relatively newer application. Precursors are events correlated with adverse events that happen prior to the adverse event itself. Therefore, precursor mining provides many benefits including understanding the reasons behind a safety incident and the ability to identify signatures, which can be tracked throughout a flight to alert the operators of an potential upcoming adverse event. This work proposes using the multiple-instance learning (MIL) framework, a weakly supervised learning task, combined with a carefully designed Multi-Head Convolutional Neural Networks-Recurrent Neural Networks (MHCNN-RNN) architecture to predict different type of adverse events for any given flights and identify their precursors with little to no post-processing.Results obtained show that the MHCNN-RNN is able to accurately forecast high speed and high path angle events during the approach, and that it is also capable of determining the aircraft’s parameters that are correlated to these events. These parameters can be considered precursors to the events.

multiple instance learning↗
NASA NTRSDate not supplied

Synthetic Data Generation for 3D Mesh Prediction and Spatial Reasoning During Multi-Agent Robotic Missions

In-space assembly operations require accurate reasoning over the pose, location, and structural organization of both the autonomous agents and assembly materials. In a full six-degree-of-freedom space, an accurate understanding of the full three-dimensional structure of the object of interest greatly enriches information for pose estimation and collision planning. Current methods of predicting pose estimation require a priori understanding of the shape of the object. Additionally, visual information in the space environment is impacted by variations in contrast and illumination. Using synthetic data allows us to rapidly generate large datasets with in varying environments and lighting conditions.This work details the generation of synthetic data used to explore the use of a region-based convolutional neural networks to detect objects of interest and predict a voxel-based three-dimensional mesh in order to understand their full three-dimensional shape. This mesh provides useful spatial information during in-space assembly operations without requiring either the complexity of maintaining models over the progress of building an object or observations from multiple angles. The generated meshes are then compared to that of ground truth in order to measure its performance.

synthetic data↗
NASA NTRS2020

Amino Acid Encoding for Deep Learning Applications

Background: The number of applications of deep learning algorithms in bioinformatics is increasing as they usually achieve superior performance over classical approaches, especially, when bigger training datasets are available. In deep learning applications, discrete data, e.g. words or n-grams in language, or amino acids or nucleotides in bioinformatics, are generally represented as a continuous vector through an embedding matrix. Recently, learning this embedding matrix directly from the data as part of the continuous iteration of the model to optimize the target prediction – a process called ‘end-to-end learning’ – has led to state-of-the-art results in many fields. Although usage of embeddings is well described in the bioinformatics literature, the potential of end-to-end learning for single amino acids, as compared to more classical manually-curated encoding strategies, has not been systematically addressed. To this end, we compared classical encoding matrices, namely one-hot, VHSE8 and BLOSUM62, to end-to-end learning of amino acid embeddings for two different prediction tasks using three widely used architectures, namely recurrent neural networks (RNN), convolutional neural networks (CNN), and the hybrid CNN-RNN. Results: By using different deep learning architectures, we show that end-to-end learning is on par with classical encodings for embeddings of the same dimension even when limited training data is available, and might allow for a reduction in the embedding dimension without performance loss, which is critical when deploying the models to devices with limited computational capacities. We found that the embedding dimension is a major factor in controlling the model performance. Surprisingly, we observed that deep learning models are capable of learning from random vectors of appropriate dimension. Conclusion: Our study shows that end-to-end learning is a flexible and powerful method for amino acid encoding. Further, due to the flexibility of deep learning systems, amino acid encoding schemes should be benchmarked against random vectors of the same dimension to disentangle the information content provided by the encoding scheme from the distinguishability effect provided by the scheme.

Deep-learning↗
NASA NTRS2023

Statistical Decomposition and Machine Learning to Clean In Situ Spaceflight Magnetic Field Measurements

Robust in situ magnetic field measurements are critical to understanding the various mechanisms that couple mass, momentum, and energy throughout our solar system. However, the spacecraft on which magnetometers are often deployed contaminate the magnetic field measurements via onboard subsystems including reaction wheels and magnetorquers. Two magnetometers can be deployed at different distances from the spacecraft to determine an approximation of the interfering field for subsequent removal, but constant data streams from both magnetometers can be impractical due to power and telemetry limitations. Here we propose a method to identify and remove time-varying magnetic interference from sources such as reaction wheels using statistical decomposition and convolutional neural networks, providing high-fidelity magnetic field data even in cases where dual-sensor measurements are not constantly available. For example, a measurement interval from the Parker Solar Probe outboard magnetometer experienced a 95.1% reduction in reaction wheel interference following application of the proposed technique.

magnetic field data↗
DOE OSTI2021

Anion Exchange Ionomers: Impact of Chemistry on Thin-Film Properties

Ionomer thin-films (i.e., 20–100 nm) on supports serve as model systems to understand ionomer-catalyst interfacial behavior as well as the confinement-driven deviation in properties from bulk membranes. While ionomer thin-films have been examined for proton exchange ionomers, the thin-film properties of anion exchange ionomers (AEIs) remain largely unexplored. More importantly, delineating the convoluted impact of chemistry and confinement on thin-film morphology and hydration is of interest to advancing the field on functional ionic interfaces. In this work, these aspects are studied by using AEIs of different backbones (perfluorinated, aliphatic, and aromatic) and side chains (various lengths, and single versus dual functional groups). Quartz-crystal microbalance and spectroscopic ellipsometry are used to analyze density and coupled with calculated free volume fraction of thin-films to provide insights on their gas transport properties. AEI side-chain's chemical character plays a key role in how confinement modulates hydration (in thin-film versus bulk). Overall, the results elucidate the effects of backbone, side-chain chemistry versus anion/cation type in the confinement-driven changes in thin-film morphology and swelling. This study also provides new insights for tuning AEI transport functionalities at interfaces via chemistry, which can benefit the design and development of electrode-ionomers for alkaline membrane-based energy systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Band Engineering of Dirac Semimetals Using Charge Density Waves

New developments in the field of topological matter are often driven by materials discovery, including novel topological insulators, Dirac semimetals and Weyl semimetals. In the last few years, large efforts have been performed to classify all known inorganic materials with respect to their topology. Unfortunately, a large number of topological materials suffer from non-ideal band structures. For example, topological bands are frequently convoluted with trivial ones, and band structure features of interest can appear far below the Fermi level. This leaves just a handful of materials that are intensively studied. Finding strategies to design new topological materials is a solution. Here we introduce a new mechanism that is based on charge density waves and non-symmorphic symmetry to design an idealized Dirac semimetal. We then show experimentally that the antiferromagnetic compound GdSb 0.46 Te 1.48 is a nearly ideal Dirac semimetal based on the proposed mechanism, meaning that most interfering bands at the Fermi level are suppressed. Finally, its highly unusual transport behavior points to a thus far unknown regime, in which Dirac carriers with Fermi energy very close to the node seem to gradually localize in the presence of lattice and magnetic disorder.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Unraveling the Correlation between Raman and Photoluminescence in Monolayer MoS 2 through Machine‐Learning Models

Abstract 2D transition metal dichalcogenides (TMDCs) with intense and tunable photoluminescence (PL) have opened up new opportunities for optoelectronic and photonic applications such as light‐emitting diodes, photodetectors, and single‐photon emitters. Among the standard characterization tools for 2D materials, Raman spectroscopy stands out as a fast and non‐destructive technique capable of probing material's crystallinity and perturbations such as doping and strain. However, a comprehensive understanding of the correlation between photoluminescence and Raman spectra in monolayer MoS 2 remains elusive due to its highly nonlinear nature. Here, the connections between PL signatures and Raman modes are systematically explored, providing comprehensive insights into the physical mechanisms correlating PL and Raman features. This study's analysis further disentangles the strain and doping contributions from the Raman spectra through machine‐learning models. First, a dense convolutional network (DenseNet) to predict PL maps by spatial Raman maps is deployed. Moreover, a gradient boosted trees model (XGBoost) with Shapley additive explanation (SHAP) to bridge the impact of individual Raman features in PL features is applied. Last, a support vector machine (SVM) to project PL features on Raman frequencies is adopted. This work may serve as a methodology for applying machine learning to characterizations of 2D materials.

Lu, Ang‐Yu↗
DOE OSTI2024

Phase Selection Rules of Multi‐Principal Element Alloys

Abstract Computational prediction of phase stability of multi‐principal element alloys (MPEAs) holds a lot of promise for rapid exploration of the enormous design space and autonomous discovery of superior structural and functional properties. Regardless of many plausible works that rely on phenomenological theory and machine learning, precise prediction is still limited by insufficient data and the lack of interpretability of some machine learning algorithms, e.g., convolutional neural network. In this work, a comprehensive approach is presented, encompassing the development of a complete dataset that contains 72 387 density functional theory calculations, as well as a predictive global phenomenological descriptor. The phase selection descriptor, based on atomic electronegativity and valence electron concentration, significantly outperforms the widely used valence electron concentration, excelling in both accuracy (with an f1 score of 63% compared to 47%) and its ability to predict the HCP phase (0.48 recall compared to 0). The comprehensive data mining on the global design space of 61 425 quaternary MPEAs made from 28 possible metals, together with the phenomenological theory and physical interpretation, will set up a solid computational science foundation for data‐driven exploration of MPEAs.

Chemistry↗