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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

MSASGCN : Multi-Head Self-Attention Spatiotemporal Graph Convolutional Network for Traffic Flow Forecasting

Traffic flow forecasting is an essential task of an intelligent transportation system (ITS), closely related to intelligent transportation management and resource scheduling. Dynamic spatial-temporal dependencies in traffic data make traffic flow forecasting to be a challenging task. Most existing research cannot model dynamic spatial and temporal correlations to achieve well-forecasting performance. The multi-head self-attention mechanism is a valuable method to capture dynamic spatial-temporal correlations, and combining it with graph convolutional networks is a promising solution. Therefore, we propose a multi-head self-attention spatiotemporal graph convolutional network (MSASGCN) model. It can effectively capture local correlations and potential global correlations of spatial structures, can handle dynamic evolution of the road network, and, in the time dimension, can effectively capture dynamic temporal correlations. Experiments on two real datasets verify the stability of our proposed model, obtaining a better prediction performance than the baseline algorithms. The correlation metrics get significantly reduced compared with traditional time series prediction methods and deep learning methods without using graph neural networks, according to MAE and RMSE results. Compared with advanced traffic flow forecasting methods, our model also has a performance improvement and a more stable prediction performance. We also discuss some problems and challenges in traffic forecasting.

Cao, Yang↗
DOE OSTI2020

Reification of latent microstructures: On supervised unsupervised and semi-supervised deep learning applications for microstructures in materials informatics

Machine learning (ML), including deep learning (DL), has become increasingly popular in the last few years due to its continually outstanding performance. In this context, we apply machine learning techniques to "learn" the microstructure using both supervised and unsupervised DL techniques. In particular, we focus (1) on the localization problem bridging (micro)structure (localized) property using supervised DL and (2) on the microstructure reconstruction problem in latent space using unsupervised DL. The goal of supervised and semi-supervised DL is to replace crystal plasticity finite element model (CPFEM) that maps from (micro)structure (localized) property, and implicitly the (micro)structure (homogenized) property relationships, while the goal of unsupervised DL is (1) to represent high-dimensional microstructure images in a non-linear low-dimensional manifold, and (2) to discover a way to interpolate microstructures via latent space associating with latent microstructure variables. At the heart of this report is the applications of several common DL architectures, including convolutional neural networks (CNN), autoencoder (AE), and generative adversarial network (GAN), to multiple microstructure datasets, and the quest of neural architecture search for optimal DL architectures.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deep-Learning based Reconstruction of the Shower Maximum $X_{\mathrm{max}}$ using the Water-Cherenkov Detectors of the Pierre Auger Observatory

The atmospheric depth of the air shower maximum X max is an observable commonly used for the determination of the nuclear mass composition of ultra-high energy cosmic rays. Direct measurements of X max are performed using observations of the longitudinal shower development with fluorescence telescopes. At the same time, several methods have been proposed for an indirect estimation of X max from the characteristics of the shower particles registered with surface detector arrays. In this paper, we present a deep neural network (DNN) for the estimation of X max . The reconstruction relies on the signals induced by shower particles in the ground based water-Cherenkov detectors of the Pierre Auger Observatory. The network architecture features recurrent long short-term memory layers to process the temporal structure of signals and hexagonal convolutions to exploit the symmetry of the surface detector array. We evaluate the performance of the network using air showers simulated with three different hadronic interaction models. Thereafter, we account for long-term detector effects and calibrate the reconstructed X max using fluorescence measurements. Finally, we show that the event-by-event resolution in the reconstruction of the shower maximum improves with increasing shower energy and reaches less than 25 g/cm 2 at energies above 2 × 10 19 eV.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Adaptive pruning-based optimization of parameterized quantum circuits

Abstract Variational hybrid quantum–classical algorithms are powerful tools to maximize the use of noisy intermediate-scale quantum devices. While past studies have developed powerful and expressive ansatze, their near-term applications have been limited by the difficulty of optimizing in the vast parameter space. In this work, we propose a heuristic optimization strategy for such ansatze used in variational quantum algorithms, which we call ‘parameter-efficient circuit training (PECT)’. Instead of optimizing all of the ansatz parameters at once, PECT launches a sequence of variational algorithms, in which each iteration of the algorithm activates and optimizes a subset of the total parameter set. To update the parameter subset between iterations, we adapt the Dynamic Sparse Reparameterization scheme which was originally proposed for training deep convolutional neural networks. We demonstrate PECT for the Variational Quantum Eigensolver, in which we benchmark unitary coupled-cluster ansatze including UCCSD and k -UpCCGSD, as well as the Low-Depth Circuit Ansatz (LDCA), to estimate ground state energies of molecular systems. We additionally use a layerwise variant of PECT to optimize a hardware-efficient circuit for the Sycamore processor to estimate the ground state energy densities of the one-dimensional Fermi-Hubbard model. From our numerical data, we find that PECT can enable optimizations of certain ansatze that were previously difficult to converge and more generally can improve the performance of variational algorithms by reducing the optimization runtime and/or the depth of circuits that encode the solution candidate(s).

Physics↗
DOE OSTI2022

Pulsed Thermal Tomography Nondestructive Examination of Additively Manufactured Reactor Materials and Components (Final Technical Report)

Metal Additive Manufacturing (AM) is a promising method for cost-efficient fabrication of complex shape structures for applications in harsh environment, such as in a nuclear reactor. However, internal defects (pores) occur in high-strength AM alloys, which are manufactured with Laser Powder Bed Fusion (LPBF) AM method. Pulsed Infrared Thermography (PIT) is an efficient nondestructive evaluation (NDE) method to examine actual structures, because this method offers one-sided non-contact measurements, and fast processing of large sample areas. However, imaging of material defects, particularly defects with sizes at microscopic level, is challenging. In this report, we benchmark the performance of several Unsupervised Learning (UL) algorithms designed to enhance imaging of microscopic defects in metals with PIT. UL aims to learn the latent principal patterns (dictionaries) in PIT data to detect defects with minimal human supervision. Performance of Independent Component Analysis (ICA), Sparse Coding (SC), Principal Component Analysis (PCA) and Exploratory Factor Analysis (EFA) was compared using F-score, UL model training time and defects reconstruction time. We obtained the average F-score of 0.75, and a highest F-score of 0.89 for the EFA algorithm. Overall, EFA outperforms other UL algorithms considered in this study. In another approach, we investigate Thermal Tomography (TT), which is a computational method for reconstruction of depth profile of internal material defects from PIT nondestructive evaluation (NDE). TT algorithm obtains depth reconstructions of thermal effusivity, which has been shown to provide visualization of subsurface internals defects in metals. In many applications, one needs to determine the defect shape and orientation from reconstructed effusivity images. Interpretation of TT images is non-trivial because of blurring, which increases with depth due to heat diffusion-based nature of image formation. We have developed a deep learning convolutional neural network (CNN) to classify size and orientation of subsurface material defects in TT images. CNN was trained with TT images produced with computer simulations of 2D metallic structures (thin plates) containing elliptical subsurface voids. Performance of CNN was investigated using test TT images developed with computer simulations of plates containing elliptical defects, and defects with shape imported from scanning electron microscopy (SEM) images. CNN demonstrated the ability to classify radii and angular orientation of elliptical defects in previously unseen test TT images. We have also demonstrated that CNN trained on TT images of elliptical defects is capable of classifying shape and orientation of irregular defects. Training the CNN on irregular defect shapes instead of on elliptical shapes would make the resulting classifications more descriptive of actual defect shapes. However, this requires a much higher volume of SEM images of material defects, which are difficult to obtain because of random occurrence of defects in LPBF. To address this challenge, we developed a generative adversarial network (GAN) to augment the existing dataset of SEM defect images. The GAN model is demonstrated to create novel yet realistic defect shapes that can be used as input for simulated PTT images to train CNN. We also investigate several approaches based on Gaussian Random Circle and Bezier Curves for constructing parametric models of irregular-shape defects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Efficient Super-Resolution of Near-Surface Climate Modeling Using the Fourier Neural Operator

Downscaling methods are critical in efficiently generating high-resolution atmospheric data. However, state-of-the-art statistical or dynamical downscaling techniques either suffer from the high computational cost of running a physical model or require high-resolution data to develop a downscaling tool. Here, we demonstrate a recently proposed zero-shot super-resolution method, the Fourier neural operator (FNO), to efficiently perform downscaling without the need for high-resolution data. Because the FNO learns dynamics in Fourier space, FNO is a resolution-invariant emulator; it can be trained at a coarse resolution and produces emulation at any high resolution. We applied FNO to downscale a 4-km resolution Weather Research and Forecasting (WRF) Model simulation of near-surface heat-related variables over the Great Lakes region. The FNO is driven by the atmospheric forcings, and topographic features used in the WRF model at the same resolution. We incorporated a physics-constrained loss in FNO by using the Clausius-Clapeyron relation to better constrain the relations among the emulated states. Trained on merely 600 WRF snapshots at 4-km resolution, the FNO shows comparable performance with a widely used convolutional network, U-Net, achieving averaged modified Kling-Gupta Efficiency of 0.88 and 0.94 on the test dataset for temperature and pressure, respectively. We then employed the FNO to produce 1-km emulations to reproduce the fine climate features. Further, by taking the WRF simulation as ground truth, we show consistent performances at the two resolutions, suggesting the reliability of FNO in producing high-resolution dynamics. Our study demonstrates the potential of using FNO for zero-shot super-resolution in generating first-order estimation on atmospheric modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification

Abstract To bolster the accuracy of existing methods for automated phase identification from X-ray diffraction (XRD) patterns, we introduce a machine learning approach that uses a dual representation whereby XRD patterns are augmented with simulated pair distribution functions (PDFs). A convolutional neural network is trained directly on XRD patterns calculated using physics-informed data augmentation, which accounts for experimental artifacts such as lattice strain and crystallographic texture. A second network is trained on PDFs generated via Fourier transform of the augmented XRD patterns. At inference, these networks classify unknown samples by aggregating their predictions in a confidence-weighted sum. We show that such an integrated approach to phase identification provides enhanced accuracy by leveraging the benefits of each model’s input representation. Whereas networks trained on XRD patterns provide a reciprocal space representation and can effectively distinguish large diffraction peaks in multi-phase samples, networks trained on PDFs provide a real space representation and perform better when peaks with low intensity become important. These findings underscore the importance of using diverse input representations for machine learning models in materials science and point to new avenues for automating multi-modal characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2025

In-Situ Process Monitoring Evaluation and Demonstration using Advanced Characterization with Laser Powder Bed Systems

Oak Ridge National Laboratory’s (ORNL) Manufacturing Demonstration Facility (MDF) worked with EOS Group to evaluate the current in-situ sensor capabilities of an EOS M290 Laser Powder Bed Fusion machine. The M290 was fitted with a 1 Mega-Pixel (MP) grayscale visible-light camera and a 5 MP temporally integrated (TI) near-infrared (NIR) camera. One print from stainless steel (SS) 316 and two from Inconel 625 (IN625) were performed where data including in-situ imaging and a machine log file were captured. These data were subsequently analyzed using a Dynamic Multi-Scale Segmentation Convolutional Neural Network (DMSCNN) trained on user defined classes and correlated to as-printed flaws, in the form of porosity, discovered in X-Ray Computed Tomography (XCT). In Phase I, two indications were detected in-situ and spatially correlated to stochastic lack-of-fusion flaws discovered using XCT. In Phase II, using these links from in-situ signatures to XCT flaw populations, a second neural network (NN) was trained to create a Voxelized Property Prediction Model (VPPM) to predict porosity percentages within the part using only features garnered from the in-situ data from two IN625 complex geometries. The VPPM was able to accurately predict porosity values for IN625 parts with an R 2 value of 0.764.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Objectively Identifying Transverse Cirrus Bands in Tropical Cyclones using a Convolutional Neural Network

Transverse cirrus bands (TCBs) are bands of upper-level clouds regularly seen in mesoscale and synoptic-scale weather systems. In tropical cyclones, their appearance has been subjectively linked to intensification and the diurnal cycle. However, these hypothesized relationships have not been rigorously tested due to the subjective nature of TCBs in satellite images. A machine learning technique that successfully identifies TCBs objectively in imagery from the GOES-16 Advanced Baseline Imager (ABI) has been developed to solve this problem. The technique uses a U-Net convolutional neural network (CNN) that assigns a probability to each pixel in an image based on the likelihood of the pixel being associated with a TCB. Using the U-Net CNN, a database of TCBs from 2019 to 2022 was developed for the Atlantic tropical cyclone basin by defining an appropriate probability threshold that defines the difference between TCB and non-TCB pixels. This threshold is where the Jaccard score, calculated using manually identified TCBs and model identified TCBs, is maximized. Statistics for TCB occurrence will also be presented, including the relationships between TCBs and storm relative motion, shear relative direction, cardinal direction, tropical cyclone intensity, tropical cyclone intensification rates, and time of day.

John Mark Mayhall↗
NASA NTRS2021

Identifying Planetary Transit Candidates in TESS Full-frame Image Light Curves via Convolutional Neural Networks

The Transiting Exoplanet Survey Satellite(TESS)mission measured light from stars in∼75% of the sky throughout its 2 yr primary mission, resulting in millions of TESS 30-minute-cadence light curves to analyze in the search for transiting exoplanets. To search this vast data trove for transit signals, we aim to provide an approach that both is computationally efficient and produces highly performant predictions. This approach minimizes the required human search effort. We present a convolutional neural network, which we train to identify planetary transit signals and dismiss false positives. To make a prediction for a given light curve, our network requires no prior transit parameters identified using other methods. Our network performs inference on a TESS 30-minute-cadence light curve in∼5 ms on a single GPU, enabling large-scale archival searches. We present 181 new planet candidates identified by our network, which pass subsequent human vetting designed to rule out false positives.Our neural network model is additionally provided as open-source code for public use and extension

Gregory Olmschenk↗
DOE OSTI2021

Detecting optical transients using artificial neural networks and reference images from different surveys

ABSTRACT We present a technique to detect optical transients based on an artificial neural networks method. We describe the architecture of two networks capable of comparing images of the same part of the sky taken by different telescopes. One image corresponds to the epoch in which a potential transient could exist; the other is a reference image of an earlier epoch. We use data obtained by the Dr. Cristina V. Torres Memorial Astronomical Observatory and archival reference images from the Sloan Digital Sky Survey. We trained a convolutional neural network and a dense layer network on simulated source samples and then tested the trained networks on samples created from real image data. Autonomous detection methods replace the standard process of detecting transients, which is normally achieved by source extraction of a difference image followed by human inspection of the detected candidates. Replacing the human inspection component with an entirely autonomous method would allow for a rapid and automatic follow-up of interesting targets of opportunity. The toy-model pipeline that we present here is not yet able to replace human inspection, but it might provide useful hints to identify potential candidates. The method will be further expanded and tested on telescopes participating in the Transient Optical Robotic Observatory of the South Collaboration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Real-time sparse-sampled Ptychographic imaging through deep neural networks

Ptychography has rapidly grown in the fields of X-ray and electron imaging for its unprecedented ability to achieve nano or atomic scale resolution while simultaneously retrieving chemical or magnetic information from a sample. A ptychographic reconstruction is achieved by means of solving a complex inverse problem that imposes constraints both on the acquisition and on the analysis of the data, which typically precludes real-time imaging due to computational cost involved in solving this inverse problem. In this work we propose PtychoNN, a novel approach to solve the ptychography reconstruction problem based on deep convolutional neural networks. We demonstrate how the proposed method can be used to predict real-space structure and phase at each scan point solely from the corresponding far-field diffraction data. The presented results demonstrate how PtychoNN can effectively be used on experimental data, being able to generate high quality reconstructions of a sample up to hundreds of times faster than state-of-the-art ptychography reconstruction solutions once trained. By surpassing the typical constraints of iterative model-based methods, we can significantly relax the data acquisition sampling conditions and produce equally satisfactory reconstructions. Besides drastically accelerating acquisition and analysis, this capability can enable new imaging scenarios that were not possible before, in cases of dose sensitive, dynamic and extremely voluminous samples.

Cherukara, Mathew J↗
DOE OSTI2021

Machine-Learning-based Algorithms for Automated Image Segmentation Techniques of Transmission X-ray Microscopy (TXM)

Four state-of-the-art Deep Learning-based Convolutional Neural Networks (DCNN) were applied to automate the semantic segmentation of a 3D Transmission x-ray Microscopy (TXM) nanotomography image data. The standard U-Net architecture as baseline along with UNet++, PSPNet, and DeepLab v3+ networks were trained to segment the microstructural features of an AA7075 micropillar. A workflow was established to evaluate and compare the DCNN prediction dataset with the manually segmented features using the Intersection of Union (IoU) scores, time of training, confusion matrix, and visual assessment. Comparing all model segmentation accuracy metrics, it was found that using pre-trained models as a backbone along with appropriate training encoder-decoder architecture of the Unet++ can robustly handle large volumes of x-ray radiographic images in a reasonable amount of time. This opens a new window for handling accurate and efficient image segmentation of in situ time-dependent 4D x-ray microscopy experimental datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Uncovering Structure–Conductivity Relationships in Anion Exchange Membranes (AEMs) Using Interpretable Machine Learning

Anion exchange membranes (AEMs) play a vital role in the performance of water electrolyzers and fuel cells, yet their discovery and optimization remain challenging due to the complexity of structure–property relationships. In this study, we introduce a machine learning framework that leverages conditional graph neural networks (cGNNs) and descriptor-based models and a hybrid graph neural network (HGARE) to predict and interpret ionic conductivity. The descriptor-based pipeline employs principal component analysis (PCA), ablation, and SHAP analysis to identify factors governing anion conductivity, revealing electronic, topological, and compositional descriptors as key contributors. Beyond prediction, dimensionality reduction and clustering are performed by employing t-SNE and KMeans as well as SOM, which reveal distinct membranes clusters, some of which were enriched with high anion conductivity. Among graph-based approaches, the graph convolutional (GCN) achieved strong predictive performance, while the Hybrid Graph Autoencoder-Regressor Ensemble (HGARE) achieved the highest accuracy. Additionally, atom-level saliency maps from GCN provide spatial explanations for conductive behavior, revealing the importance of polarizable and flexible regions. This work contributes to the accelerated and data-driven design of high-performance AEMs.

Naghshnejad, Pegah [Department of Chemical Enginee↗
DOE OSTI2026

Unveiling Hidden Lyman Alpha Emitters in the DESI DR1 Data

We present an automatic method based on machine-learning convolutional neural network (CNN) architecture to detect Lyman alpha emitters (LAE) hidden in the Data Release 1 spectroscopic dataset of the Dark Energy Spectroscopic Instrument (DESI). Those LAEs mostly have incorrect redshift estimations because the current DESI pipeline is not designed to detect and measure the redshifts of galaxies at $z>2$. To uncover those sources, we first visually inspect thousands of DESI spectra and construct a sample, consisting of both LAEs and non-LAEs, for training and testing the CNN-based model to (1) detect LAEs in DESI spectra and (2) determine their Ly$α$ redshifts. The final model yields $95.2\%$ purity and $95.9\%$ completeness for detecting LAEs. We apply this model to approximately $2\times10^{6}$ spectra of sources targeted as emission-line galaxies and detect 19,685 LAEs from $z\sim2$ to $3.5$ within 12 minutes with a single GPU, illustrating the high efficiency of this model for identifying LAEs. The detected LAEs are mostly at the bright end of the luminosity function with Ly$α$ luminosity $L_{\rm Lyα} \gtrsim 10^{43}$ erg/s. The high signal-to-noise composite spectrum of the detected LAEs further shows various spectral features, including P-Cygni profiles of metal lines and MgII emission lines, possible indicators of Lyman continuum escape fraction, revealing the rich astrophysical information in this LAE sample. Finally, this sample can be used to train and validate the pipelines for redshift determination of LAEs for the preparation of the DESI-II survey.

Chan, Jui-Kuan [Taiwan, Natl. Taiwan U.] (ORCID:00↗
DOE OSTI2024

First Search for Dark-Trident Processes Using the MicroBooNE Detector

We present a first search for dark-trident scattering in a neutrino beam using a dataset corresponding to 7.2 × 10 20 protons on target taken with the MicroBooNE detector at Fermilab. Proton interactions in the neutrino target at the main injector produce π 0 and η mesons, which could decay into dark-matter (DM) particles mediated via a dark photon A ′ . A convolutional neural network is trained to identify interactions of the DM particles in the liquid-argon time projection chamber (LArTPC) exploiting its imagelike reconstruction capability. In the absence of a DM signal, we provide limits at the 90% confidence level on the squared kinematic mixing parameter ϵ 2 as a function of the dark-photon mass in the range 10 ≤ M A ′ ≤ 400 MeV . The limits cover previously unconstrained parameter space for the production of fermion or scalar DM particles χ for two benchmark models with mass ratios M χ / M A ′ = 0.6 and 2 and for dark fine-structure constants 0.1 ≤ α D ≤ 1 . Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Automated Stellar Spectra Classification with Ensemble Convolutional Neural Network

Large sky survey telescopes have produced a tremendous amount of astronomical data, including spectra. Machine learning methods must be employed to automatically process the spectral data obtained by these telescopes. Classification of stellar spectra by applying deep learning is an important research direction for the automatic classification of high-dimensional celestial spectra. In this paper, a robust ensemble convolutional neural network (ECNN) was designed and applied to improve the classification accuracy of massive stellar spectra from the Sloan digital sky survey. We designed six classifiers which consist six different convolutional neural networks (CNN), respectively, to recognize the spectra in DR16. Then, according the cross-entropy testing error of the spectra at different signal-to-noise ratios, we integrate the results of different classifiers in an ensemble learning way to improve the effect of classification. The experimental result proved that our one-dimensional ECNN strategy could achieve 95.0% accuracy in the classification task of the stellar spectra, a level of accuracy that exceeds that of the classical principal component analysis and support vector machine model.

79 ASTRONOMY AND ASTROPHYSICS↗