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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Improved Subseasonal Forecasting of Extreme Polar Vortices Using Machine Learning

Our research was focused on forecasting the position and shape of the winter stratospheric polar vortex at a subseasonal timescale of 15 days in advance. To achieve this, we employed both statistical and neural network machine learning techniques. The analysis was performed on 42 winter seasons of reanalysis data provided by NASA giving us a total of 6,342 days of data. The state of the polar vortex for determined by using geometric moments to calculate the centroid latitude and the aspect ratio of an ellipse fit onto the vortex. Timeseries for thirty additional precursors were calculated to help improve the predictive capabilities of the algorithm. Feature importance of these precursors was performed using random forest to measure the predictive importance and the ideal number of precursors. Then, using the precursors identified as important, various statistical methods were tested for predictive accuracy with random forest and nearest neighbor performing the best. An echo state network, a type of recurrent neural network that features sparsely connected hidden layer and a reduced number of trainable parameters that allows for rapid training and testing, was also implemented for the forecasting problem. Hyperparameter tuning was performed for each methods using a subset of the training data. The algorithms were trained and tuned on the first 41 years of data, then tested for accuracy on the final year. In general, the centroid latitude of the polar vortex proved easier to predict than the aspect ratio across all algorithms. Random forest outperformed other statistical forecasting algorithms overall but struggled to predict extreme values. Forecasting from echo state network suggested a strong predictive capability past 15 days, but further work is required to fully realize the potential of recurrent neural network approaches.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Rapid Optimization of Total Variation with Applications in Imaging, Additive Manufacturing, and Qualification

Total Variation optimization penalizes the gradient of a control variable or state. While this work focuses on image processing in particular, it has also found applications in inverse problems and topology optimization. In image processing, the goal is to maintain faithfulness to the original image while denoising and/or deblurring. Additionally, bilevel optimization over the spatially varying regularization weights can illuminate interfaces such as damage regions and other anomalies. We will address two fundamental challenges with TV-optimization: (i) the typical slow convergence of existing TV-optimization methods, and (ii) the selection of spatially varying TV parameters to promote interface detection. Additionally, we will apply such techniques to image data collected in additive manufacturing. In said context, stochasticity in build events induces flaws in the manufactured piece, compromising the integrity of said part. There is a critical need for in-situ monitoring to spot anomalies once they form, and in this setting we apply our total variation and hyperparameter solvers. We will develop a customized algorithm based on for extreme-scale TV-optimization that achieves super-linear or quadratic-convergence, a critical property for real-time, image-by-image analysis. A worst-case outcome is a preprocessing step that enhances image quality in-situ, specifically for out-of-focus and noisy images.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Theoretical and methodological challenges in hierarchical Bayesian inference for model-form uncertainty

This report describes challenges associated with the hierarchical Bayesian approach to inform model-form uncertainty (MFU) representations, which are parameterized modifications to a mathematical models’ governing equations to express uncertainty in form of the equations. To inform model-form uncertainties, hierarchical Bayesian inference is often employed. Here, the MFU parameters are distributed parametrically, and the hyperparameters of the parametric distribution are informed through Bayesian inference, with the aim of determining the MFU parameter distribution that best agrees with calibration data. In practice, however, we have found the hierarchical Bayesian approach falls short of this aim. We discuss theoretical and methodological challenges of the approach, and we present several numerical demonstrations of these challenges. To conclude, we suggest promising alternative approaches for future investigation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

User Manual - HydraGNN v5.0: Distributed Implementation of Multi-Tasking Graph Neural Networks

This document serves as the user manual for HydraGNN v5.0, a scalable graph neural network (GNN) architecture for simultaneous prediction of multiple target properties using multi-task learning (MTL). This version of HydraGNN has been developed primarily to support the development, training, and deployment of predictive graph-based deep learning (DL) models for atomistic materials modeling. HydraGNN is templated over 13 message-passing policies, including invariant models (GIN, PNA, PNAPlus, GAT, MFC, CGCNN, SAGE, SchNet, DimeNet) and equivariant models (EGNN, PNAEq, PAINN, MACE), and supports distributed training via distributed data parallelism (DDP), DeepSpeed, and Fully Sharded Data Parallelism (FSDP) on leadership-class supercomputers. Although HydraGNN can be applied to problems beyond atomistic materials modeling, its current use is confined to homogeneous graphs. Additional capabilities include machine-learned interatomic potentials with energy-conserving forces, General, Powerful, and Scalable Graph Transformer (GraphGPS) global attention, periodic boundary conditions, hyperparameter optimization, mixed-precision training, and uncertainty quantification.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Machine-learning based approach to examine ecological processes influencing the diversity of riverine dissolved organic matter composition

Dissolved organic matter (DOM) assemblages in freshwater rivers are formed from mixtures of simple to complex compounds that are highly variable across time and space. These mixtures largely form due to the environmental heterogeneity of river networks and the contribution of diverse allochthonous and autochthonous DOM sources. Most studies are, however, confined to local and regional scales, which precludes an understanding of how these mixtures arise at large, e.g., continental, spatial scales. The processes contributing to these mixtures are also difficult to study because of the complex interactions between various environmental factors and DOM. Here we propose the use of machine learning (ML) approaches to identify ecological processes contributing toward mixtures of DOM at a continental-scale. We related a dataset that characterized the molecular composition of DOM from river water and sediment with Fourier-transform ion cyclotron resonance mass spectrometry to explanatory physicochemical variables such as nutrient concentrations and stable water isotopes ( 2 H and 18 O). Using unsupervised ML, distinctive clusters for sediment and water samples were identified, with unique molecular compositions influenced by environmental factors like terrestrial input and microbial activity. Sediment clusters showed a higher proportion of protein-like and unclassified compounds than water clusters, while water clusters exhibited a more diversified chemical composition. We then applied a supervised ML approach, involving a two-stage use of SHapley Additive exPlanations (SHAP) values. In the first stage, SHAP values were obtained and used to identify key physicochemical variables. These parameters were employed to train models using both the default and subsequently tuned hyperparameters of the Histogram-based Gradient Boosting (HGB) algorithm. The supervised ML approach, using HGB and SHAP values, highlighted complex relationships between environmental factors and DOM diversity, in particular the existence of dams upstream, precipitation events, and other watershed characteristics were important in predicting higher chemical diversity in DOM. Our data-driven approach can now be used more generally to reveal the interplay between physical, chemical, and biological factors in determining the diversity of DOM in other ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Contrastive Machine Learning with Gamma Spectroscopy Data Augmentations for Detecting Shielded Radiological Material Transfers

Data analysis techniques can be powerful tools for rapidly analyzing data and extracting information that can be used in a latent space for categorizing observations between classes of data. Machine learning models that exploit learned data relationships can address a variety of nuclear nonproliferation challenges like the detection and tracking of shielded radiological material transfers. The high resource cost of manually labeling radiation spectra is a hindrance to the rapid analysis of data collected from persistent monitoring and to the adoption of supervised machine learning methods that require large volumes of curated training data. Instead, contrastive self-supervised learning on unlabeled spectra can enhance models that are built on limited labeled radiation datasets. This work demonstrates that contrastive machine learning is an effective technique for leveraging unlabeled data in detecting and characterizing nuclear material transfers demonstrated on radiation measurements collected at an Oak Ridge National Laboratory testbed, where sodium iodide detectors measure gamma radiation emitted by material transfers between the High Flux Isotope Reactor and the Radiochemical Engineering Development Center. Label-invariant data augmentations tailored for gamma radiation detection physics are used on unlabeled spectra to contrastively train an encoder, learning a complex, embedded state space with self-supervision. A linear classifier is then trained on a limited set of labeled data to distinguish transfer spectra between byproducts and tracked nuclear material using representations from the contrastively trained encoder. The optimized hyperparameter model achieves a balanced accuracy score of 80.30%. Any given model—that is, a trained encoder and classifier—shows preferential treatment for specific subclasses of transfer types. Regardless of the classifier complexity, a supervised classifier using contrastively trained representations achieves higher accuracy than using spectra when trained and tested on limited labeled data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Recent Progress on Surface Water Quality Models Utilizing Machine Learning Techniques

Surface waterbodies are heavily exposed to pollutants caused by natural disasters and human activities. Empowering sensor technologies in water quality monitoring, sufficient measurements have become available to develop machine learning (ML) models. Numerous ML models have quickly been adopted to predict water quality indicators in various surface waterbodies. This paper reviews 78 recent articles from 2022 to October 2024, categorizing water quality models utilizing ML into three groups: Point-to-Point (P2P), which estimates the current target value based on other measurements at the same time point; Sequence-to-Point (S2P), which utilizes previous time series data to predict the target value at one time point ahead; and Sequence-to-Sequence (S2S), which uses previous time series data to forecast sequential target values in the future. The ML models used in each group are classified and compared according to water quality indicators, data availability, and model performance. Widely used strategies for improving performance, including feature engineering, hyperparameter tuning, and transfer learning, are recognized and described to enhance model effectiveness. The interpretability limitations of ML applications are discussed. This review provides a perspective on emerging ML for surface water quality models.

machine learning (ML)↗
DOE OSTI2025

A Scalable Gaussian Process Approach to Shear Mapping with MuyGPs

Analysis of cosmic shear is an integral part of understanding structure growth across cosmic time, which in turn provides us with information about the nature of dark energy. Conventional methods generate shear maps from which we can infer the matter distribution in the universe. Current methods (e.g., Kaiser–Squires inversion) for generating these maps, however, are tricky to implement and can introduce bias. Recent alternatives construct a spatial process prior for the lensing potential, which allows for inference of the convergence and shear parameters given lensing shear measurements. Realizing these spatial processes, however, scales cubically in the number of observations—an unacceptable expense as near-term surveys expect billions of correlated measurements. Therefore, we present a linearly scaling shear map construction alternative using a scalable Gaussian process prior called MuyGPs. MuyGPs avoids cubic scaling by conditioning interpolation on only nearest neighbors and fits hyperparameters using batched leave-one-out cross-validation. This work is the first step toward a full, scalable mass mapping method. We work in a simplified regime where we validate our method by interpolating and analyzing maps given noisy point-estimate data from all three shear fields, taken from a suite of N -body ray-tracing simulations. We also show that we can perform these operations at the scale of billions of galaxies on high-performance computing platforms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Synthetic Streamflow Datasets Derived from DOE 9505 for Select Texas Basins

This dataset is generated using a Bayesian Hidden Markov Model trained on the DOE 9505 streamflow projection ensemble. A set of 21,000 streamflow realizations are generated for the Colorado, Sabine, and Trinity river basins in Texas. Separate models are trained either using the full 9505 ensemble or a subset based on three hyperparameters: bias correction, downscaling, and hydrological model.

drought↗
DOE OSTI2026

Xanthos-Lake Model Source Code

This repository contains the source code for Xanthos-Lake, a lake-modeling extension of the Xanthos framework that introduces a coupled lake component comprising the Xanthos-Lake Snow and Ice Model (xLSIM) and the Xanthos-Lake Water Balance Model (xLWBM). xLSIM is a basin-aware machine-learning model for lake snow, ice, and thermal conditions. It predicts monthly lake ice thickness, snow depth, snow-cover fraction, mixing-layer temperature, and lake ice fraction from meteorological forcing and lake surface-area information. It uses sequence-based deep-learning architectures, including Transformer and hybrid Long Short-Term Memory–Transformer (LSTM–Transformer) models, together with seasonal encoding, multi-lake learning, physical masking, and basin-level cryospheric and non-cryospheric classification. The training workflow uses Ray for scalable execution and includes optional Ray Tune hyperparameter optimization. Model predictions, observations, diagnostics, and feature-importance outputs are written in NetCDF. xLWBM is the water-balance component of the new lake framework. It simulates monthly lake storage, surface area, evaporation, inflow, outflow, and lake–groundwater exchange. It combines physical water-balance equations with calibrated bathymetric relationships, weir-based outlet flow, modified Penman open-water evaporation, groundwater head relaxation, Penman–Monteith snow and ice sublimation, and snow, ice, and thermal conditions supplied by xLSIM. The model calibrates lake parameters against satellite-derived surface-area data, using evaporation-based calibration where surface-area data are unavailable, and supports small, medium, and large lake classes. For large lakes, xLWBM is integrated with the managed-routing workflow so that lake storage and outflow interact directly with downstream river routing and reservoir operations. Together, xLSIM and xLWBM provide Xanthos with a coupled lake-modeling capability. xLSIM supplies the snow, ice, and thermal conditions that affect lake evaporation and snow- and ice-related water exchanges, while xLWBM translates those conditions into dynamic lake storage, surface area, evaporation, and discharge. In return, xLWBM supplies evolving lake surface area to xLSIM. This coupling enables Xanthos to represent lakes as active hydrologic components within basin-scale water-availability and routing simulations.

Machine Learning↗
NASA NTRS2012

An Algorithm for Detection of Ground and Canopy Cover in Micropulse Photon-Counting Lidar Altimeter Data in Preparation of the ICESat-2 Mission

The Ice, Cloud and Land Elevation Satellite-II (ICESat-2) mission has been selected by NASA as a Decadal Survey mission, to be launched in 2016. Mission objectives are to measure land ice elevation, sea ice freeboard/ thickness and changes in these variables and to collect measurements over vegetation that will facilitate determination of canopy height, with an accuracy that will allow prediction of future environmental changes and estimation of sea-level rise. The importance of the ICESat-2 project in estimation of biomass and carbon levels has increased substantially, following the recent cancellation of all other planned NASA missions with vegetation-surveying lidars. Two innovative components will characterize the ICESat-2 lidar: (1) Collection of elevation data by a multi-beam system and (2) application of micropulse lidar (photon counting) technology. A micropulse photon-counting altimeter yields clouds of discrete points, which result from returns of individual photons, and hence new data analysis techniques are required for elevation determination and association of returned points to reflectors of interest including canopy and ground in forested areas. The objective of this paper is to derive and validate an algorithm that allows detection of ground under dense canopy and identification of ground and canopy levels in simulated ICESat-2-type data. Data are based on airborne observations with a Sigma Space micropulse lidar and vary with respect to signal strength, noise levels, photon sampling options and other properties. A mathematical algorithm is developed, using spatial statistical and discrete mathematical concepts, including radial basis functions, density measures, geometrical anisotropy, eigenvectors and geostatistical classification parameters and hyperparameters. Validation shows that the algorithm works very well and that ground and canopy elevation, and hence canopy height, can be expected to be observable with a high accuracy during the ICESat-2 mission. A result relevant for instrument design is that even the two weaker beam classes considered can be expected to yield useful results for vegetation measurements (93.01-99.57% correctly selected points for a beam with expected return of 0.93 mean signals per shot (msp9) and 72.85% - 98.68% for 0.48 msp (msp4)). Resampling options affect results more than noise levels. The algorithm derived here is generally applicable for analysis of micropulse lidar altimeter data collected over forested areas as well as other surfaces, including land ice, sea ice and land surfaces.

Herzfeld, Ute C.↗
NASA NTRS2014

Algorithm for Detection of Ground and Canopy Cover in Micropulse Photon-Counting Lidar Altimeter Data in Preparation for the ICESat-2 Mission

NASA's Ice, Cloud and Land Elevation Satellite-II (ICESat-2) mission is a decadal survey mission (2016 launch). The mission objectives are to measure land ice elevation, sea ice freeboard, and changes in these variables, as well as to collect measurements over vegetation to facilitate canopy height determination. Two innovative components will characterize the ICESat-2 lidar: 1) collection of elevation data by a multibeam system and 2) application of micropulse lidar (photon-counting) technology. A photon-counting altimeter yields clouds of discrete points, resulting from returns of individual photons, and hence new data analysis techniques are required for elevation determination and association of the returned points to reflectors of interest. The objective of this paper is to derive an algorithm that allows detection of ground under dense canopy and identification of ground and canopy levels in simulated ICESat-2 data, based on airborne observations with a Sigma Space micropulse lidar. The mathematical algorithm uses spatial statistical and discrete mathematical concepts, including radial basis functions, density measures, geometrical anisotropy, eigenvectors, and geostatistical classification parameters and hyperparameters. Validation shows that ground and canopy elevation, and hence canopy height, can be expected to be observable with high accuracy by ICESat-2 for all expected beam energies considered for instrument design (93.01%-99.57% correctly selected points for a beam with expected return of 0.93 mean signals per shot (msp), and 72.85%-98.68% for 0.48 msp). The algorithm derived here is generally applicable for elevation determination from photoncounting lidar altimeter data collected over forested areas, land ice, sea ice, and land surfaces, as well as for cloud detection.

Algorithms↗
NASA NTRS2018

Automated Pneumothorax Diagnosis using Deep Neural Networks

Thoracic ultrasound can provide information leading to rapid diagnosis of pneumothorax with improved accuracy over the standard physical examination and with higher sensitivity than anteroposterior chest radiography. However, the clinical We have Furthermore, remote environments, such as the battlefield or deep-space exploration, may lack expertise for diagnosing developed an automated image interpretation pipeline for the analysis of thoracic ultrasound data and the classification of pneumothorax events to provide decision support in such situations. Our pipeline consists of image preprocessing, data augmentation, and deep learning architectures for medical diagnosis. In this work, we demonstrate that robust, accurate interpretation of chest images and video can be achieved using deep neural networks. A number of novel image processing techniques were employed to achieve this result. Affine transformations were applied for data augmentation. Hyperparameters were optimized for learning rate, dropout regularization, batch size, and epoch iteration by a sequential model-based Bayesian approach. In addition, we utilized pretrained architecturesinterpretation of a patient medical image is highly operator dependent. certain pathologies., applying transfer learning and fine-tuning techniques to fully connected layers. Our pipeline yielded binary classification validation accuracies of 98.3% for M-mode images and 99.8% with B-mode video frames.

US Army collaboration↗
NASA NTRS2019

Reinforcement Learning Applied to Cognitive Space Communications

The future of space exploration depends on robust, reliable communication systems. As the number of such communication systems increase, automation is fast becoming a requirement to achieve this goal. A reinforcement learning solution can be employed as a possible automation method for such systems. The goal of this study is to build a reinforcement learning algorithm which optimizes data throughput of a single actor. A training environment was created to simulate a link within the NASA Space Communication and Navigation (SCaN) infrastructure, using state of the art simulation tools developed by the SCaN Center for Engineering, Networks, Integration, and Communications (SCENIC) laboratory at NASA Glenn Research Center to obtain the closest possible representation of the real operating environment. Reinforcement learning was then used to train an agent inside this environment to maximize data throughput. The simulation environment contained a single actor in low earth orbit capable of communicating with twenty-five ground stations that compose the Near-Earth Network (NEN). Initial experiments showed promising training results, so additional complexity was added by augmenting simulation data with link fading profiles obtained from real communication events with the International Space Station. A grid search was performed to find the optimal hyperparameters and model architecture for the agent. Using the results of the grid search, an agent was trained on the augmented training data. Testing shows that the agent performs well inside the training environment and can be used as a foundation for future studies with added complexity and eventually tested in the real space environment.

Schubert, Carson D.↗
NASA NTRSDate not supplied

Exploring data-driven modeling of boundary layer transition

Prediction of laminar-turbulent transition in boundary layer flows is an important component of predicting the aerodynamic performance of a number of aerospace configurations. According to the CFD Vision 2030 [1], transition modeling represents acriticalarea in CFD simulation capability that will remain a pacing item for the foreseeable future. The fact thattransition can take placevia either one of a myriad possible paths adds to the challenges inreliable transition predictions, despite a limited knowledge of the relevant input parameters. In the low disturbance environments typical of flight applications, transition is often initiated by small amplitude disturbances in the form of linear instability waves of the laminar boundary layer. These disturbances amplify linearly at first and eventually undergo a sequence of nonlinear interactions that result in transition to turbulence. Because the nonlinear phase is rather rapid, the amplification of boundary layer instabilities is governed by the linearstability theory over a majority of the distance leading up to the onset of transition. Semi-empirical transition correlations based on the linear stability theory have been successful in explaining the observed trends in transition location within a broad class of flows. However, the application of stability theory is highly non-robust and often requires a significant domain expertise. Recent work at the NASA Langley Research Center has beenaimed at bridging the gap between physics based transition analyses such as those based on linear stability theory and practical applications that require transition prediction by users that may not be well versed in transition physics. The applications of deep learning have been at the center of these efforts. This presentation will focus on the progress achieved thus far, highlighting the applications of neural networks to selectedtransition scenarios across a range of Mach numbers and flow configuration, as well as the lessons learnedand remaining challengeswithrespect to the selection of training data and neural networks architectures, hyperparameter tuning, and the physical insights distilled from the otherwise black-box models.

M. R. Malik↗
NASA NTRSDate not supplied

Use of Design of Experiments in Determining Neural Network Architectures for Loss of Control Detection

We describe empirical methods for selecting a neural network architecture to implement belief state inference on generic commercial transport aircraft. We highlight a case study on the planning, execution, and analysis of a set of experiments to determine the configurations of a conditional variational autoencoder (CVAE). Our main contribution is the application of a structured method that can be used for machine learning in many aerospace applications. This method optimizes the structure and training parameters of a neural network for belief state inference, using Design of Experiments (DOE) statistical methodologies. The motivation for this specific DOE analysis was to identify the appropriate hyperparameters for measuring the CVAE reconstruction probability and latent space, such that the measurements can be used to infer qualitative state changes for the aircraft. We demonstrate that this process yields information about a trained neural network’s utility for this specific application, along with a quantifiable range of certainty. We execute 84 experiments using loss-of-control flight maneuver data from the NASA T-2 aircraft, demonstrating that this empirical process allows us to construct cheap and simple models with specific attributes amenable to belief state inference in aerospace applications.

Loss of Control↗
NASA NTRSDate not supplied

Use of Design of Experiments in Determining Neural Network Architectures for Loss of Control Detection

We describe empirical methods for selecting a neural network architecture to implement belief state inference on generic commercial transport aircraft. We highlight a case study on the planning, execution, and analysis of a set of experiments to determine the configurations of a conditional variational autoencoder (CVAE). Our main contribution is the application of a structured method that can be used for machine learning in many aerospace applications. This method optimizes the structure and training parameters of a neural network for belief state inference, using Design of Experiments (DOE) statistical methodologies. The motivation for this specific DOE analysis was to identify the appropriate hyperparameters for measuring the CVAE reconstruction probability and latent space, such that the measurements can be used to infer qualitative state changes for the aircraft. We demonstrate that this process yields information about a trained neural network’s utility for this specific application, along with a quantifiable range of certainty. We execute 84 experiments using loss-of-control flight maneuver data from the NASA T 2 aircraft, demonstrating that this empirical process allows us to construct cheap and simple models with specific attributes amenable to belief state inference in aerospace applications.

Loss of Control↗
NASA NTRSDate not supplied

Use of Design of Experiments in Determining Neural Network Architectures for Loss of Control Detection

Abstract—We describe empirical methods for selecting a neural network architecture to implement belief state inference on generic commercial transport aircraft. We highlight a case study on the planning, execution, and analysis of a set of experiments to determine the configurations of a conditional variational autoencoder (CVAE). Our main contribution is the application of a structured method that can be used for machine learning in many aerospace applications. This method optimizes the structure and training parameters of a neural network for belief state inference, using Design of Experiments (DOE) statistical methodologies. The motivation for this specific DOE analysis was to identify the appropriate hyperparameters for measuring the CVAE reconstruction probability and latent space, such that the measurements can be used to infer qualitative state changes for the aircraft. We demonstrate that this process yields information about a trained neural network’s utility for this specific application, along with a quantifiable range of certainty. We execute 84 experiments using loss-of-control flight maneuver data from the NASA T-2 aircraft, demonstrating that this empirical process allows us to construct cheap and simple models with specific attributes amenable to belief state inference in aerospace applications.

neural networks↗