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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Machine learning of factors for improving oyster hatchery production

Oyster aquaculture and restoration in the Chesapeake Bay are vital, yet hatcheries frequently struggle with inconsistent larval growth and sudden mass mortality events. Unpredictable disruptions in larval production cause large economic losses, represent a perceived risk to growers, and impede industry expansion. To better understand associations between production yield and its potential predictors, we applied machine learning (random forest, and neural network) and statistical (generalized additive model) models to a comprehensive dataset of environmental, water quality, and operational parameters from a Maryland oyster hatchery, aiming to identify key yield predictors and develop a robust forecasting tool. We used recursive Boruta algorithm for variable selection, pinpointing critical predictors, and employed cross-validation to fine-tune model settings. Shapley value analysis offered crucial insights into model interpretations, highlighting week number, Normalized Difference Vegetation Index, salinity, turbidity, and fecundity as primary drivers of yield variability. For low-yield cases, salinity-related variables were particularly important. Our findings provide an early warning system for potential production downturns, empowering hatchery operators to make data-driven decisions for optimizing water conditions, feeding schedules, and broodstock management. By boosting predictability and efficiency, this research directly supports economic stability of the oyster industry and ecological health of the Chesapeake Bay.

Vishwakarma, Srishti [Oak Ridge National Laborator↗
NASA NTRS2019

Deep Learning Emulation of Atmospheric Correction for Geostationary Sensors

New generation geostationary satellites make reflectance observations available at a continental scale with unprecedented spatiotemporal resolution and spectral range. Generating Earth monitoring products from these observations requires retrieval of the basic parameter, surface reflectance (SR), by atmospheric correction (AC). Algorithms for atmospheric correction, including Multi-Angle Implementation of Atmospheric Correction (MAIAC), are adapted for each sensor and are too computationally complex to be run in real time, relying instead on look-up tables with precomputed values. Machine learning methods, including convolutional neural networks, have demonstrated performance in learning complex, nonlinear mappings and extracting insight from high-dimensional remote sensing data. In this work, we present a deep learning emulator of MAIAC to retrieve both SR and cloud products. Using this adaptation of deep learning-based emulation to remote sensing, we demonstrate stable SR retrieval over a variety of land covers and viewing conditions and accurate cloud detection. Further, a comparison of computation time suggests emulation as a compelling alternative for expensive physical simulation, especially for applications benefited by near-real time data, such as agricultural management and disaster response.

Duffy, Kate↗
NASA NTRSDate not supplied

FluxSat: Long-term Earth Science Data Record (ESDR) for Terrestrial Gross Primary Production (GPP) based on satellite data calibrated with eddy covariance data

Gross primary production (GPP), the amount of carbon dioxide (CO 2 ) assimilated by plants through photosynthesis, is one of the most variable and uncertain components of the global carbon cycle. Global GPP has been estimated with a number of process-based models, data-driven, and hybrid approaches. Dynamic global vegetation models (DGVMs), driven by observed environmental changes, are used for global carbon budget assessments and long-term (climate) prediction. Benchmarking these and other models globally with data-driven GPP estimates is critical for understanding the land sink and ensuring accurate forecasts of the carbon cycle. In addition, global data-driven GPP estimates are crucial for studies of interannual variability, including trends that are linked to mechanisms with large uncertainties, such as the indirect CO 2 fertilization effect related to greening. In response to a community need for a GPP data set that well captures spatio-temporal variability, we developed FluxSat, a data-driven approach that optimizes the use of satellite reflectance data from the NASA MODerate-resolution Imaging Spectroradiometer (MODIS) on the Terra and Aqua satellites, calibrated using ground-based eddy covariance (EC) data. We are enhancing (spatially, higher resolution) and extending FluxSat (in time, with additional sensors) to create a high quality long term GPP Earth System Data Record (ESDR) for use in model benchmarking, carbon cycle modeling, and studies of trends and interannual variability. Our team’s objectives are to: 1. Update and document the current MODIS FluxSat GPP (daily, 0.05o and 0.5o resolutions) products with latest available MODIS and EC data sets; 2. Extend FluxSat GPP record forward in time with the Visible Infrared Imaging Radiometer Suite (VIIRS) on operational weather satellites going forward; 3. Extend FluxSat GPP record backward in time using the Advanced Very High Resolution Radiometer (AVHRR) on weather satellites dating back to 1981; 4. Provide higher spatial resolution MODIS and VIIRS GPP (0.0083o). 5. Thoroughly evaluate all FluxSat products with independent data; and 6. Create a homogenized long-term GPP record spanning 40+ years. We will discuss plans for this long-term data set that is supported through the NASA Making Earth System Data Records for Use in Research Environments (MEaSUREs) program.

gross Primary Production↗
NASA NTRS2024

Presound: UAV Diagnostic System Enabled by Vibration-Based Machine Learning

A low-weight, inexpensive small unmanned aerial system (sUAS) that takes off, performs a mission, lands, and safely stows and recharges itself has myriad future applications ranging from agricultural imaging to last-mile package delivery. Likewise, Urban Air Mobility (UAM) systems will enable people to take air taxis from point to point in cities, rapidly moving commuters long distances without concern for road traffic and congestion. Fully electric aviation systems will be cleaner and quieter than ground transport. Cities could eliminate cars and buses, and convert roads to higher capacity bike and pedestrian throughways. Yet, for sUAS as well as UAM, system reliability and assurance is a limiting factor to deploying affordable autonomous flight systems. For this bright future of aviation to be realized, aircraft must be able to autonomously and accurately self-diagnose health issues both before takeoff and during flight. The GreenSight PreSound system is designed to identify defects on aircraft through intelligent analysis of vibration. It accomplishes this by measuring structural vibrations induced by the vehicle’s own propellers, and analyzing that data using a machine learning model that determines whether a defect is present. The PreSound system is designed to require no human oversight, and to operate across a wide array of vehicles through re-training of the model for each target aircraft. PreSound has been developed and seen limited early success using data collected from the GreenSight Dreamer sUAS, a 5lb quadrotor vehicle designed for aerial imaging applications. The final detection model, trained on data with props spinning at 50% throttle, achieves excellent performance with over 99% average accuracy in detecting blade damage using a single FFT vector input. It demonstrates the ability to generalize to new types of blade damage, correctly classifying a different type of blade damage with 98% accuracy. Full test pulses were classified with 100% accuracy, and in live testing, all sets of data during blade movement were classified accurately with over 95% confidence. When trained on in-flight data, the same model achieves an average accuracy of 85% in distinguishing between undamaged and blade-damaged states in flight. The authors believe that these accuracies show significant potential of this approach to expand unmanned flight safety, with significant potential benefits in accelerating Advanced Aerial Mobility (AAM) and UAM aviation applications.

UAS↗
DOE OSTI2024

A Graph Neural Network Surrogate Model for hls4ml

Recent advancements in use of machine learning (ML) techniques on field-programmable gate arrays (FPGAs) have allowed for the implementation of embedded neural networks with extremely low latency. This is invaluable for particle detectors at the Large Hadron Collider, where latency and used area are strictly bounded. The hls4ml framework is a procedure that converts trained ML model software to a synthesis result to can be used on an FPGA. However, running the pipeline is a time-consuming procedure, and there is a strong risk of failure. In particular, it may not be possible to successfully convert a model into a synthesis result, or the resource consumption of the model may exceed the resources of the target FPGA. To aid with this development, we introduce wa-hls4ml, a surrogate model using a graph neural network to emulate the structure of the source models. The goal is to estimate the chance of success and resource consumption of a given model when passed through the hls4ml pipeline, without needing to run the pipeline.

Plotnikov, Dennis↗
NASA NTRS2019

Utilizing Convolutional Neural Networks for Global Seagrass Habitat Mapping

Convolutional neural networks (CNNs) are becoming an increasingly prevalent machine learning algorithm due to their high accuracy and lack of reliance on heuristic processes. One of the major drawbacks of convolutional neural networks is their reliance on large amounts of training data in order to generate sensible results. This talk will cover how our team has utilized the strengths and overcome the weaknesses of convolutional neural networks as they apply to seagrass habitat mapping. We will share our technical CNN results over time, detail the requirements and challenges that our team overcame and explore how other teams can better incorporate a stronger seagrass component into their machine learning projects.

Convolutional↗
NASA NTRSDate not supplied

Developing and Testing a Physics Guided Machine Learning NeuralNetwork to Predict Tonal Noise Emitted by a Propeller

Artificial neural networks offer a highly nonlinear and adaptive model for predicting complex interactions between input-output parameters. However, these networks require large datasets which often exceed practical considerations in modeling experimental results. To alleviate the dataset size requirement, a method known as physics guided machine learning has been applied to construct several neural networks for predicting propeller tonal noise in the time domain over a broad range of flight conditions. Three space-filling designs, namely, Latin-Hypercube, Sphere-Packing, and Grid-Space, were used to distribute points throughout the input parameter space encompassing nondimensional flight conditions and observer geometry. Each neural network’s performance was validated by conditions outside of the training set and compared to the Propeller Analysis System tool from the NASA Aircraft Noise Prediction Program. Compared to the Grid-Space input design, the Latin-Hypercube and the Sphere-Packing designs provided a better representation of the domain for training. Regarding the network archetype, a fully connected perceptron was found to outperform the partially connected perceptron in their ability to predict tonal noise for small datasets. The black-box nature of these neural networks was also explored to understand how the networks constructed the waveform and understand why some network designs produce better models.

Propeller noise↗
NASA NTRS1995

Locomotion training of legged robots using hybrid machine learning techniques

In this study artificial neural networks and fuzzy logic are used to control the jumping behavior of a three-link uniped robot. The biped locomotion control problem is an increment of the uniped locomotion control. Study of legged locomotion dynamics indicates that a hierarchical controller is required to control the behavior of a legged robot. A structured control strategy is suggested which includes navigator, motion planner, biped coordinator and uniped controllers. A three-link uniped robot simulation is developed to be used as the plant. Neurocontrollers were trained both online and offline. In the case of on-line training, a reinforcement learning technique was used to train the neurocontroller to make the robot jump to a specified height. After several hundred iterations of training, the plant output achieved an accuracy of 7.4%. However, when jump distance and body angular momentum were also included in the control objectives, training time became impractically long. In the case of off-line training, a three-layered backpropagation (BP) network was first used with three inputs, three outputs and 15 to 40 hidden nodes. Pre-generated data were presented to the network with a learning rate as low as 0.003 in order to reach convergence. The low learning rate required for convergence resulted in a very slow training process which took weeks to learn 460 examples. After training, performance of the neurocontroller was rather poor. Consequently, the BP network was replaced by a Cerebeller Model Articulation Controller (CMAC) network. Subsequent experiments described in this document show that the CMAC network is more suitable to the solution of uniped locomotion control problems in terms of both learning efficiency and performance. A new approach is introduced in this report, viz., a self-organizing multiagent cerebeller model for fuzzy-neural control of uniped locomotion is suggested to improve training efficiency. This is currently being evaluated for a possible patent by NASA, Johnson Space Center. An alternative modular approach is also developed which uses separate controllers for each stage of the running stride. A self-organizing fuzzy-neural controller controls the height, distance and angular momentum of the stride. A CMAC-based controller controls the movement of the leg from the time the foot leaves the ground to the time of landing. Because the leg joints are controlled at each time step during flight, movement is smooth and obstacles can be avoided. Initial results indicate that this approach can yield fast, accurate results.

Simon, William E.↗
NASA NTRS2022

Supporting Responsible Machine Learning in Heliophysics

Over the last decade, Heliophysics researchers have increasingly adopted a variety of machine learning methods such as artificial neural networks, decision trees, and clustering algorithms into their workflow. Adoption of these advanced data science methods had quickly outpaced institutional response, but many professional organizations such as the European Commission, the National Aeronautics and Space Administration (NASA), and the American Geophysical Union have now issued (or will soon issue) standards for artificial intelligence and machine learning that will impact scientific research. These standards add further (necessary) burdens on the individual researcher who must now prepare the public release of data and code in addition to traditional paper writing. Support for these is not reflected in the current state of institutional support, community practices, or governance systems. We examine here some of these principles and how our institutions and community can promote their successful adoption within the Heliophysics discipline.

Machine learning↗
NASA NTRS2022

Using Machine Learning for Timely Estimates of Ocean Color Information From Hyperspectral Satellite Measurements in the Presence of Clouds, Aerosols, and Sunglint

Retrievals of ocean color from space are important for better understanding of the ocean ecosystem but can be limited under conditions such as clouds, aerosols, and sunglint. Many ocean color algorithms use a few selected spectral bands to perform an atmospheric correction and then derive the upwelling radiance from the ocean. The limitations in the atmospheric correction under certain conditions lead to many gaps in daily spatial coverage of ocean color retrievals. To address these limitations, we introduce a new approach that uses machine learning to estimate ocean color from top of atmosphere radiances or reflectance measurements. In this approach, a principal component analysis is used to decompose the hyperspectral measurements into spectral features that describe the scattering and absorption of the atmosphere and the underlying surface. The coefficients of the principal components are then used to train a neural network to predict ocean color properties derived from the MODIS atmospheric correction algorithm. This machine learning approach is independent of a priori information and does not rely on any radiative transfer modeling. We apply the approach to two hyperspectral UV/VIS instruments, the ozone monitoring instrument (OMI) and the TROPOspheric Monitoring Instrument (TROPOMI), using measurements from 320–500 nm to show that it can be used to reproduce ocean color properties in less-than-ideal conditions. This machine learning approach complements the current atmospheric correction ocean color retrievals by filling in the gaps resulting from cloud, aerosol, and sunglint contamination. This method can be applied to the future hyperspectral Ocean Color Instrument (OCI), which will be onboard NASA’s Plankton, Aerosol Cloud, ocean Ecosystem (PACE) ocean color satellite set to launch in 2024.

Ocean color↗
NASA NTRS2024

Theoretical Prediction of Thermal Expansion Anisotropy for Y 2 Si 2 O 7 Environmental Barrier Coatings Using a Deep Neural Network Potential and Comparison to Experiment

Environmental barrier coatings (EBCs) are an enabling technology for silicon carbide (SiC)-based ceramic matrix composites (CMCs) in extreme environments such as gas turbine engines. However, development of new coating systems is hindered by the large design space and difficulty in predicting properties for these materials. Density Functional Theory (DFT) has successfully been used to model and predict some thermodynamic and thermo-mechanical properties of high-temperature ceramics for EBCs, although these calculations are challenging due to their high computational costs. In this work, we use machine learning to train a deep neural network potential (DNP) for Y 2 Si 2 O 7 , which is then applied to calculate thermodynamic and thermo-mechanical properties at near-DFT accuracy much faster and using less computational resources than DFT. We use this DNP to predict phonon-based thermodynamic properties of Y 2 Si 2 O 7 with good agreement to DFT and experiments. We also utilize the DNP to calculate the anisotropic, lattice direction-dependent coefficients of thermal expansion (CTEs) for Y 2 Si 2 O 7 . Molecular dynamics trajectories using the DNP correctly demonstrate accurate prediction of the anisotropy of the CTE in good agreement with diffraction experiments. In the future, this DNP could be applied to accelerate additional property calculations for Y 2 Si 2 O 7 compared to DFT or experiments.

rare earth silicates↗
DOE OSTI2025

Toward accelerating rare-earth metal extraction using equivariant neural networks

The separation of rare-earth metals, vital for numerous advanced technologies, is hampered by their similar chemical properties, making ligand discovery a significant challenge. Traditional experimental and quantum chemistry approaches for identifying effective ligands are often resource-intensive. We introduce a machine learning protocol based on an equivariant neural network, Allegro, for the rapid and accurate prediction of binding energies in rare-earth complexes. Key to this work is our newly curated dataset of rare-earth metal complexes—made publicly available to foster further research—systematically generated using the Architector program. This dataset distinctively features functionalized derivatives of proven rare-earth-chelating scaffolds, hydroxypyridinone (HOPO), catecholamide (CAM), and their thio-analogues, selected for their established efficacy in binding these elements. Trained on this valuable resource, our Allegro models demonstrate excellent performance, particularly when trained to directly predict DFT-level binding energies, yielding highly accurate results that closely correlate with theoretical calculations on a diverse test set. Furthermore, this strategy exhibited strong out-of-sample generalization, accurately predicting binding energies for an isomeric HOPO-derivative ligand not seen during training. By substantially reducing computational demands, this machine learning framework, alongside the provided dataset, represent powerful tools to accelerate the high-throughput screening and rational design of novel ligands for efficient rare-earth metal separation.

Gupta, Ankur K. [Lawrence Berkeley National Labora↗
DOE OSTI2025

Improving Trustworthiness of Data-Driven Power Grid Contingency Analysis With Bayesian Residual Graph Neural Networks

The evolving energy landscape requires novel tools to efficiently perform contingency analysis and reliability assessment of power grids, potentially in real-time. The high computational cost of traditional power flow solvers limits their applicability in practice. Machine learning (ML) surrogates such as deep neural networks (NNs) accelerate power flow solvers computations, enabling high-order contingency analysis and real-time decision-making by learning highly nonlinear functions and integrating grid topology via graph architectures. However, (graph) NNs lack predictive power away from training data and do not provide predictive confidence estimates. Here, we present a Bayesian residual graph NN that integrates knowledge from low-fidelity data via residual training and embeds granular quantification of uncertainties, improving trustworthiness critical for high-consequence decision-making. Applying Bayesian concepts to NNs is challenging due to the high-dimensionality of both the parameter space, complicating derivation of a meaningful prior, and the output space in large grid systems, requiring enhanced techniques to assess the predicted high-dimensional uncertainties. Our contributions include: (1) Deriving a prior for fully connected and graph NNs that leverages low-fidelity data to guide mean predictions and appropriately control prior predictive uncertainty. (2) Integrating this prior within an ensembling with anchoring scheme for efficient approximate posterior inference. (3) Deriving enhanced metrics to assess accuracy of both the mean and uncertainty predictions in high dimensions, appropriately accounting for correlations propagated through graph layers. The resulting Bayesian residual graph NN is tested on a contingency analysis task for 14-bus and 118-bus grids.

24 - POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRSDate not supplied

Machine-Learned Committor Functions for Reactive Molecular Dynamics

Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.

polymer simulations↗
DOE OSTI2024

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

36 MATERIALS SCIENCE↗