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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

AnisONet: A deep neural operator-based anisotropic permeability upscaler from pore to Darcy scale

Directional permeability variations, which govern directional fluid flow in porous media with anisotropy, are important to accurately predict flow behavior, reactive transport, and fluid–solid interactions for various processes such as enhanced geothermal systems, energy storage devices, and biological systems. However, the intricate architecture of porous media makes it difficult to predict directional permeabilities. In this work, we present a novel machine learning (ML) framework, AnisONet, built upon an integration of a convolutional neural network, Swin transformer, and the deep operator network architecture, designed to predict anisotropic permeability and upscale predictions to larger spatial domains. First, AnisONet was evaluated with three classes of two-dimensional (2D) porous media, including synthetic circular and elliptical grains and natural sandstone grains from micro-computed tomography images. A lattice Boltzmann model (LBM) was used to calculate directional permeabilities at every 10° angle, producing 19 data points per image of porous media. AnisONet is then trained to predict permeability as a function of rotation angle. AnisONet showed strong predictive capability of directional permeability. Second, we tested our model for five upscaling cases with a large image size in the finite-element method (FEM) for 2D Darcy flow with various permeability tensor construction methods. Overall, upscaled permeability tensors in FEM simulations produce a reasonably good match with LBM results, highlighting the importance of selecting appropriate tensor formation strategies for accurate permeability upscaling. AnisONet, as a directional permeability estimator, could be further developed for more complex geometries, with the potential to develop a foundational ML model for various applications in porous media.

42 ENGINEERING↗
DOE OSTI2023

Mitigation of spatial nonstationarity with vision transformers

Spatial nonstationarity, the location variance of features’ statistical distributions, is ubiquitous in many natural settings. For example, in geological reservoirs rock matrix porosity varies vertically due to geomechanical compaction trends, in mineral deposits grades vary due to sedimentation and concentration processes, in hydrology rainfall varies due to the atmosphere and topography interactions, and in metallurgy crystalline structures vary due to differential cooling. Conventional geostatistical modeling workflows rely on the assumption of stationarity to be able to model spatial features for geostatistical inference. Nevertheless, this is often not a realistic assumption when dealing with nonstationary spatial data and this has motivated a variety of nonstationary spatial modeling workflows such as trend and residual decomposition, cosimulation with secondary features, and spatial segmentation and independent modeling over stationary subdomains. The advent of deep learning technologies has enabled new workflows for modeling spatial relationships. However, there is a paucity of demonstrated best practice and general guidance on mitigation of spatial nonstationarity with deep learning in the geospatial context. We demonstrate the impact of two common types of geostatistical spatial nonstationarity on deep learning model prediction performance and propose the mitigation of such impacts using self-attention (vision transformer) models. We demonstrate the utility of vision transformers for the mitigation of nonstationarity with relative errors as low as 10%, exceeding the performance of alternative deep learning methods such as convolutional neural networks. We establish best practice by demonstrating the ability of self-attention networks for modeling large-scale spatial relationships in the presence of commonly observed geospatial nonstationarity.

58 GEOSCIENCES↗
DOE OSTI2020

Understanding important features of deep learning models for segmentation of high-resolution transmission electron microscopy images

Cutting edge deep learning techniques allow for image segmentation with great speed and accuracy. However, application to problems in materials science is often difficult since these complex models may have difficultly learning meaningful image features that would enable extension to new datasets. In situ electron microscopy provides a clear platform for utilizing automated image analysis. In this work, we consider the case of studying coarsening dynamics in supported nanoparticles, which is important for understanding, for example, the degradation of industrial catalysts. By systematically studying dataset preparation, neural network architecture, and accuracy evaluation, we describe important considerations in applying deep learning to physical applications, where generalizable and convincing models are required. With a focus on unique challenges that arise in high-resolution images, we propose methods for optimizing performance of image segmentation using convolutional neural networks, critically examining the application of complex deep learning models in favor of motivating intentional process design.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Recurrent and convolutional neural networks for sequential multispectral optoacoustic tomography ( MSOT ) imaging

Abstract Multispectral optoacoustic tomography (MSOT) is a beneficial technique for diagnosing and analyzing biological samples since it provides meticulous details in anatomy and physiology. However, acquiring high through‐plane resolution volumetric MSOT is time‐consuming. Here, we propose a deep learning model based on hybrid recurrent and convolutional neural networks to generate sequential cross‐sectional images for an MSOT system. This system provides three modalities (MSOT, ultrasound, and optoacoustic imaging of a specific exogenous contrast agent) in a single scan. This study used ICG‐conjugated nanoworms particles (NWs‐ICG) as the contrast agent. Instead of acquiring seven images with a step size of 0.1 mm, we can receive two images with a step size of 0.6 mm as input for the proposed deep learning model. The deep learning model can generate five other images with a step size of 0.1 mm between these two input images meaning we can reduce acquisition time by approximately 71%.

Juhong, Aniwat↗
NASA NTRS2021

Synthesizing Disparate LiDAR and Satellite Datasets through Deep Learning to Generate Wall-to-Wall Regional Inventories for the Complex, Mixed-Species Forests of the Eastern United States

Light detection and ranging (LiDAR) has become a commonly-used tool for generating remotely-sensed forest inventories. However, LiDAR-derived forest inventories have remained uncommon at a regional scale due to varying parameters among LiDAR data acquisitions and the availability of sufficient calibration data. Here, we present a model using a 3-D convolutional neural network (CNN), a form of deep learning capable of scanning a LiDAR point cloud, combined with coincident satellite data (spectral, phenology, and disturbance history). We compared this approach to traditional modeling used for making forest predictions from LiDAR data (height metrics and random forest) and found that the CNN had consistently lower uncertainty. We then applied the CNN to public data over six New England states in the USA, generating maps of 14 forest attributes at a 10 m resolution over 85% of the region. Aboveground biomass estimates produced a root mean square error of 36 Mg ha−1 (44%) and were within the 97.5% confidence of independent county-level estimates for 33 of 38 or 86.8% of the counties examined. CNN predictions for stem density and percentage of conifer attributes were moderately successful, while predictions for detailed species groupings were less successful. The approach shows promise for improving the prediction of forest attributes from regional LiDAR data and for combining disparate LiDAR datasets into a common framework for large-scale estimation.

Elias Ayrey↗
DOE OSTI2025

Applying Deep Learning for Wildfire Identification: Economical and Accessible Solutions Leveraging Small Datasets

Wildfires significantly impact human health, air quality, visibility, weather, and climate change and cause substantial economic losses. While state and county-operated air quality monitors provide critical insights during wildfires, they are not available in all regions. This highlights the need for affordable, accessible tools that allow the general public to assess air quality impacts. In this study, we apply machine learning with deep neural networks to diagnose air quality rapidly from sky images taken at the Pacific Northwest National Laboratory in Richland, WA, USA. Using a convolutional neural network (CNN) framework, we trained a deep learning model to classify air quality indices based on sky images. By leveraging transfer learning, our approach fine-tunes a pre-trained model on a small dataset of sky images, significantly reducing training time while maintaining high accuracy. Our results demonstrate the potential of deep learning to provide rapid air quality diagnostics during wildfire episodes, offering early warnings to the public and enabling timely mitigation strategies, particularly for vulnerable populations. Additionally, we show that lower respiratory infections pose the highest health risk during acute smoke exposures. Reactive oxygen species (ROS) from wildfire particles further exacerbate health risks by triggering inflammation and other adverse effects.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Deep learning approaches to semantic segmentation of fatigue cracking within cyclically loaded nickel superalloy

Improvements to synchrotron-based micro-computed tomography scanning capabilities have gifted researchers the ability to characterize 4D material thermomechanical responses more thoroughly than ever before. These advancements, however, have brought about new challenges in analyzing the resulting deluge of data. We report on a nickel-based superalloy specimen imaged 26 times in-situ during cyclic loading at Argonne National Laboratory Advanced Photon Source beamline 1ID, in order to monitor crack growth within the microstructure. Therefore, several deep learning approaches which utilize convolutional neural networks are implemented to segment crack features from reconstructed tomography scans. U-Net architecture implementations are found to be especially effective, achieving IoU = 0.995 +/- 0.004 and Matthews correlation coefficient scores of Φ = 0.826 +/- 0.085. These advancements broaden possibilities for scientists seeking to automate segmentation analyses of similar large datasets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deep learning with plasma plume image sequences for anomaly detection and prediction of growth kinetics during pulsed laser deposition

Abstract Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging as a viable autonomous synthesis tool, and so the need arises to develop machine learning (ML) techniques that are capable of extracting information from in situ diagnostics. Here, we demonstrate that intensified-CCD image sequences of the plasma plume generated during PLD can be used for anomaly detection and the prediction of thin film growth kinetics. We develop multi-output (2 + 1)D convolutional neural network regression models that extract deep features from plume dynamics that not only correlate with the measured chamber pressure and incident laser energy, but more importantly, predict parameters of an auto-catalytic film growth model derived from in situ laser reflectivity experiments. Our results demonstrate how ML with in situ plume diagnostics data in PLD can be utilized to maintain deposition conditions in an optimal regime. Further, the predictive capabilities of plume dynamics on the kinetics of film growth or other film properties prior to deposition provides a means for rapid pre-screening of growth conditions for the non-expert, which promises to accelerate materials optimization with PLD.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Machine Learning-Based Identification of the Interface Regions for Coupling Local and Nonlocal Models

Local-nonlocal coupling approaches provide a means to combine the computational efficiency of local models and the accuracy of nonlocal models. However, the coupling process can be challenging, requiring expertise to identify the interface between local and nonlocal regions. Here, this study introduces a machine learning-based approach to automatically detect the regions in which the local and nonlocal models should be used. The method uses loading functions evaluated at grid points to decide the model selection at those points. Training of the networks is based on datasets provided by classes of loading functions for which reference coupling configurations are computed using accurate coupled solutions, where accuracy is measured in terms of the relative error between the solution to the coupling approach and the solution to the nonlocal model. We study two approaches that vary in data structure. The first, the full-domain input data approach, uses the entire load vector and outputs a complete label vector, performing a global classification. The second, a window-based approach, processes loads into windows and addresses the problem as a node-wise classification where each window's central point is classified individually. The classification problems are solved via deep learning algorithms based on convolutional neural networks. The performance of these approaches is studied on one-dimensional numerical examples using F1-scores and accuracy metrics. Notably, the windowing approach achieves an accuracy of 0.96 and an F1-score of 0.97, highlighting its potential to automate coupling processes effectively and enhance computational efficiency in material science applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

A comparison of deep-learning-based inpainting techniques for experimental X-ray scattering

The implementation is proposed of image inpainting techniques for the reconstruction of gaps in experimental X-ray scattering data. The proposed methods use deep learning neural network architectures, such as convolutional autoencoders, tunable U-Nets, partial convolution neural networks and mixed-scale dense networks, to reconstruct the missing information in experimental scattering images. In particular, the recovered pixel intensities are evaluated against their corresponding ground-truth values using the mean absolute error and the correlation coefficient metrics. The results demonstrate that the proposed methods achieve better performance than traditional inpainting algorithms such as biharmonic functions. Overall, tunable U-Net and mixed-scale dense network architectures achieved the best reconstruction performance among all the tested algorithms, with correlation coefficient scores greater than 0.9980.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A Deep Learning Filter for the Intraseasonal Variability of the Tropics

Abstract This paper presents a novel application of convolutional neural network (CNN) models for filtering the intraseasonal variability of the tropical atmosphere. In this deep learning filter, two convolutional layers are applied sequentially in a supervised machine learning framework to extract the intraseasonal signal from the total daily anomalies. The CNN-based filter can be tailored for each field similarly to fast Fourier transform filtering methods. When applied to two different fields (zonal wind stress and outgoing longwave radiation), the index of agreement between the filtered signal obtained using the CNN-based filter and a conventional weight-based filter is between 95% and 99%. The advantage of the CNN-based filter over the conventional filters is its applicability to time series with the length comparable to the period of the signal being extracted. Significance Statement This study proposes a new method for discovering hidden connections in data representative of tropical atmosphere variability. The method makes use of an artificial intelligence (AI) algorithm that combines a mathematical operation known as convolution with a mathematical model built to reflect the behavior of the human brain known as artificial neural network. Our results show that the filtered data produced by the AI-based method are consistent with the results obtained using conventional mathematical algorithms. The advantage of the AI-based method is that it can be applied to cases for which the conventional methods have limitations, such as forecast (hindcast) data or real-time monitoring of tropical variability in the 20–100-day range.

Stan, Cristiana↗
DOE OSTI2026

Dynamic Validation of CNN-Based Surrogate Models for Inverter-Based Resources in Open-Source Solvers

Traditionally, distribution system planning has focused on steady-state analyses, with limited consideration of dynamic behavior. However, as large or medium-scale inverter-based resources (IBRs), particularly grid-following (GFL) inverters in commercial or industry buildings, become more prevalent, understanding their dynamic impact is essential for grid planning and operation. This article presents an innovative deep-learning (DL)-approach using convolutional neural networks technique to model the GFL inverters. Developed from real grid-tied commercial IBR transient data, these dynamic DL models overcome proprietary constraints by requiring minimal knowledge of internal converter physics while maintaining high accuracy and flexibility. To demonstrate their applicability, the models were incorporated into GridLAB-D, an open-source, three-phase distribution analysis tool. This integration enables dynamic simulations of large-scale distribution networks with high IBR penetration stability analysis. Rigorous testing and validation, aligned with industry standards, confirmed the reliability and efficiency of this approach, paving the way for enhanced planning and operational assessments of modern power systems.

Deep-learning↗
DOE OSTI2026

Using Explainable Artificial Intelligence to Predict Perovskite Solar Cell Electrical Metastability from Operando Photoluminescence Images in Accelerated Stress Testing

Metal halide perovskite (MHP) solar cells exhibit a metastable response to bias governed by coupled ionic–electronic processes, complicating the conventional reciprocity relation between luminescence intensity and device open-circuit voltage (V oc ). This limits the use of luminescence as a diagnostic for device screening or accelerated stress testing, motivating new approaches that can interpret photoluminescence (PL) signals under nonequilibrium conditions. From the artificial intelligence perspective, we develop an explainable deep learning framework that integrates convolutional neural networks (CNN), long short-term memory (LSTM) layers, and an attention mechanism to learn spatiotemporal features from operando photoluminescence PL image sequences. The model achieves a mean absolute error of ±0.027 V in predicting open-circuit voltage transients and reduces extreme-tail errors by up to 78% compared to physics-based reciprocity calculations. Gradient-weighted Class Activation Mapping (Grad-CAM) provides interpretability by highlighting physically meaningful regions such as electrode edges and emergent defect features. From the engineering application perspective, this framework enables accurate, contactless prediction of device V oc and identification of degradation-relevant features during accelerated aging of perovskite solar cells. This approach demonstrates how explainable AI can enhance operando diagnostics and reliability analysis in photovoltaic devices under nonequilibrium conditions.

14 SOLAR ENERGY↗
DOE OSTI2024

DLSIA: Deep Learning for Scientific Image Analysis

DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing. DLSIA features easy-to-use architectures, such as autoencoders, tunable U-Nets and parameter-lean mixed-scale dense networks (MSDNets). Additionally, this article introduces sparse mixed-scale networks (SMSNets), generated using random graphs, sparse connections and dilated convolutions connecting different length scales. For verification, several DLSIA-instantiated networks and training scripts are employed in multiple applications, including inpainting for X-ray scattering data using U-Nets and MSDNets, segmenting 3D fibers in X-ray tomographic reconstructions of concrete using an ensemble of SMSNets, and leveraging autoencoder latent spaces for data compression and clustering. As experimental data continue to grow in scale and complexity, DLSIA provides accessible CNN construction and abstracts CNN complexities, allowing scientists to tailor their machine learning approaches, accelerate discoveries, foster interdisciplinary collaboration and advance research in scientific image analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Machine learning for seismic low-frequency extrapolation

The cycle-skipping problem that plagues full waveform inversion (FWI) can be at least partially mitigated if low frequencies (which encode the kinematics of wave propagation in seismic data) are recorded. However, seismic sources and receivers are band-limited, so seismic data does not generally include signals down to 0 Hz. To improve our ability to solve the seismic inverse problem, one can synthesize this missing low-frequency (LF) content from the recorded high-frequency (HF) data using machine learning (ML) models. Deep learning models such as convolutional neural networks (CNNs) demonstrate impressive ability to perform low frequency extrapolation. However, such models require powerful hardware (GPU machines) and careful training. We assess the extrapolation capabilities of three different ML models that do not require GPU machines, namely, random forest, Gaussian process regression and gradient boosting, on both synthetic and real data. Experimental results on two synthetic data sets (generated from a low velocity lens embedded in a homogeneous medium, and the Marmousi model) demonstrate that FWI applied to the extrapolated data consistently improves inversion accuracy relative to FWI applied to the original data sets that do not contain low frequencies. Application of low-frequency extrapolation to real data from the Northwest Shelf of Australia demonstrates that tree-based ML models such as gradient boosting can outperform CNNs in terms of both accuracy and computational cost on non-GPU architectures.

58 GEOSCIENCES↗
DOE OSTI2020

Insights into cosmological structure formation with machine learning.

Our modern understanding of cosmological structure formation posits that small matter density fluctuations present in the early Universe, as traced by the cosmic microwave background, grow via gravitational instability to form extended haloes of dark matter. A theoretical understanding of the structure, evolution and formation of dark matter haloes is an essential step towards unravelling the intricate connection between halo and galaxy formation, needed to test our cosmological model against data from upcoming galaxy surveys. Physical understanding of the process of dark matter halo formation is made difficult by the highly non-linear nature of the haloes' evolution. I describe a new approach to gain physical insight into cosmological structure formation based on machine learning. This approach combines the ability of machine learning algorithms to learn non-linear relationships, with techniques that enable us to physically interpret the learnt mapping. I describe applicatio ns of th e method, with the aim of investigating which aspects of the early universe density field impact the later formation of dark matter haloes. First I present a case where the process of halo formation is turned into a binary classification problem; the algorithm predicts whether or not dark matter `particles' in the initial conditions of a simulation will collapse into haloes of a given mass range. Second, I present its generalization to regression, where the algorithm infers the final mass of the halo to which each particle will later belong. I show that the initial tidal shear does not play a significant role compared to the initial density field in establishing final halo masses. Finally, I demonstrate that extending the framework to deep learning algorithms such as convolutional neural networks allows us to explore connections between the early universe and late time haloes beyond those studied by existing analytic approximations of halo collapse.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Improving Subsurface Stress Characterization for Carbon Dioxide Storage Projects by Incorporating Machine Learning Techniques

The overall objective of this project is to develop a framework for reliable characterization and prediction of the state of stress in the overburden and underburden (including the basement) in CO 2 storage reservoirs using machine learning and integrated geomechanics and geophysical methods. Specifically, we propose to develop workflow encompassing of technologies and/or methods to predict stress and pressure changes due to CO 2 injection in an active tertiary recovery site and their impacts on subtle fault activation, fractures and occurrence of microseismic events and compare responses to field observations. In this project, we anticipate using dataset from the Farnsworth field Unit (FWU) which is operated by Purdure Petroleum. A novel elastic-waveform VSP inversion technique will be used to estimate high-resolution spatial and temporal changes of elastic moduli in CO 2 storage reservoirs, which will be combined with velocity-stress relationship derived from laboratory tests to obtain subsurface pressure and stress. Clustered microseismic data will be jointly inverted for improved focal mechanisms. Least-squares reverse-time migration of microseismic waveform data will be performed to directly image fracture/fault zones. Additionally, a deep neural network machine learning technique with convolutional and recurrent layers will be used for learning the spectro-temporal structures in microseismic waveforms. The results of this geotechnical data analysis will be integrated to develop a high-resolution 3D mechanical earth model extending from the overburden sealing formations to the underburden including the basement. Mechanical properties will be derived through integration of mechanical logs, tests, available results from chemo-mechanical laboratory tests, and elastic inversion of seismic data using a combination of Bayesian and stochastic methods as well as machine learning technique. Failure features (faults/fractures) will be represented and/or modeled based on seismic and core data analysis. A transient hydrodynamic-geomechanical model will be developed through coupling with the calibrated FWU reservoir simulation model. The full physics coupled model will be used to train a reduced order proxy model using machine learning algorithm for estimating stress which will then be used with appropriate constitutive relationships and forward seismological models to simulate pressure changes and induced microseismicity. An advanced optimization framework will be developed to perform a history match to minimize error between field observations and simulated. The history matched proxy model will be verified against the full-physics equivalent. The field observations that will be used in the coupled model calibration process include pressure/stress inverted from VSP, moment magnitude from microseismic analysis, real time downhole pressure measurements, production and injection data. Parameter sensitivity and uncertainty analysis will be performed to characterize the impact of model parameter uncertainty on stress estimates. The proposed project will have significant impact on future field implementation of the proposed technology. Because the project field site is an ongoing CO 2 EOR development, the value of the new technology will be demonstrated in an operational context and evaluated as a viable risk mitigation strategy. Cost/benefit will be evaluated together with the various commercial incentives for CO 2 sequestration available to oil and gas operators. The extensive available dataset and ongoing data acquisition under the SWP Phase III work plan provides flexibility for investigation of multiple approaches and reduces technical risk.

58 GEOSCIENCES↗
NASA NTRSDate not supplied

Predicting Lightning Initiation using Deep Learning

Lightning occurrence presents safety challenges to people and property. The main challenge with lightning safety is that the majority of guidance is reactive. In other words, lightning has to have already occurred nearby before a person will respond and take shelter. Further, most injuries or fatalities occur as the storm approaches, or as it's moving away, when rainfall may not be present at the time of the flash. Thus, this project develops a physically-based deep learning model to produce lightning probabilities out to 15 minutes. The deep learning model combines a Convolutional Neural Network (CNN) with a Long Short-Term Memory (LSTM) network to capture both the spatial and temporal evolution of storms to predict the probability that lightning initiation will occur in the next 15 minutes. The model combines radar reflectivity, correlation coefficient and differential reflectivity to inferred storm hydrometer type and precipitation phase, which aids in the identification of electrification processes. The model is trained with data from the Geostationary Lightning Mapper (GLM), which is a near infrared sensor onboard the GOES-R series of satellites that measures optical brightness from lightning. This presentation will provide an overview of the project.

Andrew T White↗