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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 OSTI2024

Accurate and Data‐Efficient Micro X‐ray Diffraction Phase Identification Using Multitask Learning: Application to Hydrothermal Fluids

Traditional analysis of highly distorted micro X‐ray diffraction (μ‐XRD) patterns from hydrothermal fluid environments is a time‐consuming process, often requiring substantial data preprocessing and labeled experimental data. Herein, the potential of deep learning with a multitask learning (MTL) architecture to overcome these limitations is demonstrated. MTL models are trained to identify phase information in μ‐XRD patterns, minimizing the need for labeled experimental data and masking preprocessing steps. Notably, MTL models show superior accuracy compared to binary classification convolutional neural networks. Additionally, introducing a tailored cross‐entropy loss function improves MTL model performance. Most significantly, MTL models tuned to analyze raw and unmasked XRD patterns achieve close performance to models analyzing preprocessed data, with minimal accuracy differences. This work indicates that advanced deep learning architectures like MTL can automate arduous data handling tasks, streamline the analysis of distorted XRD patterns, and reduce the reliance on labor‐intensive experimental datasets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Predictive analytics of selections of russet potatoes

We explore the application of machine learning algorithms specifically to enhance the selection process of Russet potato (Solanum tuberosum L.) clones in breeding trials by predicting their suitability for advancement. This study addresses the challenge of efficiently identifying high-yield, disease-resistant, and climate-resilient potato varieties that meet processing industry standards. Leveraging manually collected data from trials in the state of Oregon, we investigate the potential of a wide variety of state-of-the-art binary classification models. The dataset includes 1086 clones, with data on 38 attributes recorded for each clone, focusing on yield, size, appearance, and frying characteristics, with several control varieties planted consistently across four Oregon regions from 2013 to 2021. We conduct a comprehensive analysis of the dataset that includes preprocessing, feature engineering, and imputation to address missing values. We focus on several key metrics such as accuracy, F1-score, and Matthews correlation coefficient (MCC) for model evaluation. The top-performing models, namely a feedforward neural network classifier (Neural Net), a histogram-based gradient boosting classifier (HGBC), and a support vector machine classifier (SVM), demonstrate consistent and significant results. To further validate our findings, we conducted a simulation study using the aims, data-generating mechanisms, estimands, methods, and performance measures (ADEMP) framework, simulating different data-generating scenarios to assess model robustness and performance through true positive, true negative, false positive, and false negative distributions, area under the receiver operating characteristic curve (AUC-ROC) and MCC. The simulation results highlight that non-linear models like SVM and HGBC consistently show higher AUC-ROC and MCC than logistic regression, thus outperforming the traditional linear model across various distributions, and emphasizing the importance of model selection and tuning in agricultural trials. Variable selection further enhances model performance and identifies influential features in predicting trial outcomes. The findings emphasize the potential of machine learning in streamlining the selection process for potato varieties, offering benefits such as increased efficiency, substantial cost savings, and judicious resource utilization. Our study contributes insights into precision agriculture and showcases the relevance of advanced technologies for informed decision-making in breeding programs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

The phase space distance between collider events

How can one fully harness the power of physics encoded in relativistic N-body phase space? Topologically, phase space is isomorphic to the product space of a simplex and a hypersphere and can be equipped with explicit coordinates and a Riemannian metric. This natural structure that scaffolds the space on which all collider physics events live opens up new directions for machine learning applications and implementation. Here we present a detailed construction of the phase space manifold and its differential line element, identifying particle ordering prescriptions that ensure that the metric satisfies necessary properties. We apply the phase space metric to several binary classification tasks, including discrimination of high-multiplicity resonance decays or boosted hadronic decays of electroweak bosons from QCD processes, and demonstrate powerful performance on simulated data. Our work demonstrates the many benefits of promoting phase space from merely a background on which calculations take place to being geometrically entwined with a theory’s dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Deep learning model for fast, science-based forecasting of fluid migration along faults in geologic carbon storage scenarios

Effective long-term geologic storage depends on robust site selection and credible, science-based forecasting of subsurface behavior to ensure storage integrity. For this work, we develop a deep learning–based reduced-order model (ROM) to quantify potential carbon dioxide (CO₂) and brine migration through geological faults. The ROM combines a Transformer model for binary classification and a Stacked Ensemble for regression, trained on a comprehensive dataset generated from 1400 physics-based reservoir simulations. Key geologic and operational parameters—including fault geometry, reservoir structure, and injection conditions—were systematically varied to capture a wide range of fluid migration scenarios. The ROM accurately predicts the onset of migration, cumulative migration volumes of both CO₂ and brine, and associated migration rates, as compared to an independent set of validation simulations, while significantly reducing computational cost compared to traditional simulation methods. Model performance was evaluated across diverse fault configurations, revealing that shallow reservoir geometry and fault angle are among the most influential factors governing migration behavior. Sensitivity analysis using SHapley Additive exPlanations (SHAP) provided interpretability, revealing distinct patterns in how geological and operational features drive transient versus cumulative migration outcomes. The ROM’s ability to rapidly simulate fault migration scenarios enables efficient sensitivity analyses, scenario evaluations, and decision support for site selection and monitoring design. This approach enhances the safety, scalability, and long-term operational performance of geologic carbon storage (GCS) systems by providing a robust, interpretable tool for predicting subsurface fluid migration and assessing fault-related migration potential.

42 ENGINEERING↗
DOE OSTI2026

Image processing pipeline for AI-driven nanoparticle megalibrary characterization

Recent innovations have made it possible to produce megalibraries, millions of structurally and compositionally distinct nanoparticles on a chip. These megalibraries yield vast volumes of data that are impossible to analyze manually, necessitating the development of automated tools. In previous work, we created a binary classification machine learning model to select quality nanoparticle images for downstream analysis. In this work, we show that adding a custom image processing step before training can produce significantly higher-performing models in a fraction of the time and make them more robust to different image noise levels and microscope acquisition settings. The image processing pipeline proposed here effectively cleans raw nanoparticle images, enhances key features, and allows us to use much lower resolution images and simpler neural network model architectures. These features result in higher performance and significant cost savings. Experiments demonstrate superior performance relative to baseline, including an 18.2% improvement in recall and a 13.1% increase in accuracy. Given the high cost of downstream analysis, it is critical to minimize false positives, and our best-performing model reaches a precision of 95.9% and a weighted F-score of 95.1% on an unseen test set. Additionally, model training time is reduced from hours to less than a minute. We also show that, using this custom image processing pipeline, model performance is significantly improved at lower pixel resolutions compared to downsizing alone. We expect that adopting this pipeline for AI-driven automated nanoparticle characterization will allow researchers to rapidly and accurately analyze much greater volumes of data, thereby accelerating materials discovery.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

SLAB: simultaneous labeling and binding affinity prediction for protein–ligand structures

Machine learning models are often used as scoring functions to predict the binding affinity of a protein–ligand complex. These models are trained with limited amounts of data with experimentally measured binding affinity values. A large number of compounds are labeled inactive through single-concentration screens without measuring binding affinities. These inactive compounds, along with the active ones, can be used to train binary classification models, while regression models are trained using compounds with binding affinities only. However, the classification and regression tasks are often handled separately, without sharing the learned feature representations. In this paper, we propose a novel model architecture that jointly performs regression and classification objectives, aiming to maximize data utilization and improve predictive performance by leveraging two complementary tasks. In our setup, the regression yields the binding affinity, whereas the classification task yields the label as active or inactive. We demonstrate our method using PDBbind, the standard 3D structure database, as well as a dataset of flavivirus protease compounds with binding affinity data. Our experiments show that the new joint training strategy improves the accuracy of the model, increasing applicability in various practical drug screening scenarios.

Biological and medical sciences↗
DOE OSTI2025

Detection of Diversion in a Realistic Heat Pipe Microreactor Using Supervised Machine Learning

Microreactors (MRs) pose new challenges for international safeguards. Here, their small size and mass reproducibility make them ideal for deployment in greater numbers and in remote locations, making the job of safeguards inspectors more challenging. Machine learning (ML) is currently being applied to many fields to augment human performance and increase automation; in particular, ML could be used to provide insight for international inspectors to help detect the diversion of nuclear fuel from MR cores. Four ML model types (k-nearest neighbors, decision tree, random forest, and histogram-based gradient boosted ensemble) were trained on integrated flux and critical control drum angle data generated with Serpent 2 for a realistic heat pipe MR design, achieving nearly 100% binary classification accuracy of nominal and diversion core configurations by the end of 1 full power year for three of the four model types. Regression model variants were also trained, using the same input data, for predicting the number of fuel pins diverted. Root-mean-square errors below 5% of the total number of fuel pins were achieved by the 1 full power year mark for all models.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Quantum Transfer Learning to Boost Dementia Detection

Dementia is a devastating condition with profound implications for individuals, families, and healthcare systems. Early and accurate detection of dementia is critical for timely intervention and improved patient outcomes. While classical machine learning and deep learning approaches have been explored extensively for dementia prediction, these solutions often struggle with high-dimensional biomedical data and large-scale datasets, quickly reaching computational and performance limitations. To address this challenge, quantum machine learning (QML) has emerged as a promising paradigm, offering faster training and advanced pattern recognition capabilities. This work aims to demonstrate the potential of quantum transfer learning (QTL) to enhance the performance of a weak classical deep learning model applied to a binary classification task for dementia detection. Besides, we show the effect of noise on the QTL-based approach, investigating the reliability and robustness of this method. Using the OASIS 2 dataset, we show how quantum techniques can transform a suboptimal classical model into a more effective solution for biomedical image classification, highlighting their potential impact on advancing healthcare technology.

Bhowmik, Sounak [University of Tennessee, Knoxvill↗
DOE OSTI2025

ICAT: The Interactive Corpus Analysis Tool

The Interactive Corpus Analysis Tool (ICAT) is a Python library for creating dashboards to explore textual datasets and build simple binary classification models to help filter through them and focus on entries of interest. This tool uses a form of interactive machine learning (IML), a paradigm of “machine teaching” (Simard et al., 2017) that sits at the intersection of the fields of human computer interaction (HCI), visual analytics, and machine learning. The intent of ICAT is to allow subject matter experts (SME) with limited to no experience in machine learning to benefit from an iterative human-in-the-loop (HITL) approach to building their own model without needing to understand the details of the underlying algorithm. This interactivity is achieved by allowing the user to create features, label data points, and visually manipulate a representation of the features to manually cluster and investigate data, while a model is trained on the fly based on these actions. ICAT is built on top of the Panel (Holoviz, 2018) library, using a combination of Vega, a custom IPyWidget using D3, and ipyvuetify, and is intended to be used inside of a Jupyter environment.

Martindale, Nathan [Oak Ridge National Laboratory ↗
NASA NTRS1984

Calibration or inverse regression: Which is appropriate for crop surveys using LANDSAT data?

Calibration and inverse regression estimators of crop proportions are investigated where the auxiliary variable is obtained from binary classification of multivariate LANDSAT data. The appropriate model relating classifier proportions and ground observed proportions for a given crop type is the calibration model. Under this model the inverse regression estimator is superior to the calibration estimator in estimating the crop acreage or proportion for a region of interest.

Chhikara, R. S.↗
NASA NTRS1991

Stochastic robustness

To carry out stochastic robustness analysis, an expected probability distribution is assigned to each uncertain parameter in the system. The Monte Carlo analysis proceeds by repeatedly assigning shaped random values to each plant parameter, evaluating the stability of performance metric, and performing the binary classification (stable/unstable, etc.). If the system is stable, the state response to a unit disturbance impulse can be propagated to establish whether the response would violate settling time envelopes and whether peak actuator use would violate predetermined maximums. The final estimates of the probability of each form of unacceptable behavior are found by dividing the number of cases in which the overall system had that form of unacceptability by the number of cases run. Stability robustness can be portrayed graphically using the stochastic root locus and by using histograms of parameter values found in the unacceptable cases.

Marrison, C.↗
NASA NTRS2005

Experiments on Supervised Learning Algorithms for Text Categorization

Modern information society is facing the challenge of handling massive volume of online documents, news, intelligence reports, and so on. How to use the information accurately and in a timely manner becomes a major concern in many areas. While the general information may also include images and voice, we focus on the categorization of text data in this paper. We provide a brief overview of the information processing flow for text categorization, and discuss two supervised learning algorithms, viz., support vector machines (SVM) and partial least squares (PLS), which have been successfully applied in other domains, e.g., fault diagnosis [9]. While SVM has been well explored for binary classification and was reported as an efficient algorithm for text categorization, PLS has not yet been applied to text categorization. Our experiments are conducted on three data sets: Reuter's- 21578 dataset about corporate mergers and data acquisitions (ACQ), WebKB and the 20-Newsgroups. Results show that the performance of PLS is comparable to SVM in text categorization. A major drawback of SVM for multi-class categorization is that it requires a voting scheme based on the results of pair-wise classification. PLS does not have this drawback and could be a better candidate for multi-class text categorization.

Namburu, Setu Madhavi↗
NASA NTRS2010

NASA Tech Briefs, May 2010

Topics covered include: Instrument for Analysis of Greenland's Glacier Mills Cryogenic Moisture Apparatus; A Transportable Gravity Gradiometer Based on Atom Interferometry; Three Methods of Detection of Hydrazines; Crossed, Small-Deflection Energy Analyzer for Wind/Temperature Spectrometer; Wavefront Correction for Large, Flexible Antenna Reflector; Novel Micro Strip-to-Waveguide Feed Employing a Double-Y Junction; Thin-Film Ferro Electric-Coupled Microstripline Phase Shifters With Reduced Device Hysteresis; Two-Stage, 90-GHz, Low-Noise Amplifier; A 311-GHz Fundamental Oscillator Using InP HBT Technology; FPGA Coprocessor Design for an Onboard Multi-Angle Spectro-Polarimetric Imager; Serrating Nozzle Surfaces for Complete Transfer of Droplets; Turbomolecular Pumps for Holding Gases in Open Containers; Triaxial Swirl Injector Element for Liquid-Fueled Engines; Integrated Budget Office Toolbox; PLOT3D Export Tool for Tecplot; Math Description Engine Software Development Kit; Astronaut Office Scheduling System Software; ISS Solar Array Management; Probabilistic Structural Analysis Program; SPOT Program; Integrated Hybrid System Architecture for Risk Analysis; System for Packaging Planetary Samples for Return to Earth; Offset Compound Gear Drive; Low-Dead-Volume Inlet for Vacuum Chamber; Simple Check Valves for Microfluidic Devices; A Capillary-Based Static Phase Separator for Highly Variable Wetting Conditions; Gimballing Spacecraft Thruster; Finned Carbon-Carbon Heat Pipe with Potassium Working Fluid; Lightweight Heat Pipes Made from Magnesium; Ceramic Rail-Race Ball Bearings; Improved OTEC System for a Submarine Robot; Reflector Surface Error Compensation in Dual-Reflector Antennas; Enriched Storable Oxidizers for Rocket Engines; Planar Submillimeter-Wave Mixer Technology with Integrated Antenna; Widely Tunable Mode-Hop-Free External-Cavity Quantum Cascade Laser; Non-Geiger-Mode Single-Photon Avalanche Detector with Low Excess Noise; Using Whispering-Gallery-Mode Resonators for Refractometry; RF Device for Acquiring Images of the Human Body; Reactive Collision Avoidance Algorithm; Fast Solution in Sparse LDA for Binary Classification; Modeling Common-Sense Decisions in Artificial Intelligence; Graph-Based Path-Planning for Titan Balloons; Nanolaminate Membranes as Cylindrical Telescope Reflectors; Air-Sea Spray Airborne Radar Profiler Characterizes Energy Fluxes in Hurricanes; Large Telescope Segmented Primary Mirror Alignment; and Simplified Night Sky Display System.

Source record↗
NASA NTRS2010

Convective Weather Forecast Accuracy Analysis at Center and Sector Levels

This paper presents a detailed convective forecast accuracy analysis at center and sector levels. The study is aimed to provide more meaningful forecast verification measures to aviation community, as well as to obtain useful information leading to the improvements in the weather translation capacity models. In general, the vast majority of forecast verification efforts over past decades have been on the calculation of traditional standard verification measure scores over forecast and observation data analyses onto grids. These verification measures based on the binary classification have been applied in quality assurance of weather forecast products at the national level for many years. Our research focuses on the forecast at the center and sector levels. We calculate the standard forecast verification measure scores for en-route air traffic centers and sectors first, followed by conducting the forecast validation analysis and related verification measures for weather intensities and locations at centers and sectors levels. An approach to improve the prediction of sector weather coverage by multiple sector forecasts is then developed. The weather severe intensity assessment was carried out by using the correlations between forecast and actual weather observation airspace coverage. The weather forecast accuracy on horizontal location was assessed by examining the forecast errors. The improvement in prediction of weather coverage was determined by the correlation between actual sector weather coverage and prediction. observed and forecasted Convective Weather Avoidance Model (CWAM) data collected from June to September in 2007. CWAM zero-minute forecast data with aircraft avoidance probability of 60% and 80% are used as the actual weather observation. All forecast measurements are based on 30-minute, 60- minute, 90-minute, and 120-minute forecasts with the same avoidance probabilities. The forecast accuracy analysis for times under one-hour showed that the errors in intensity and location for center forecast are relatively low. For example, 1-hour forecast intensity and horizontal location errors for ZDC center were about 0.12 and 0.13. However, the correlation between sector 1-hour forecast and actual weather coverage was weak, for sector ZDC32, about 32% of the total variation of observation weather intensity was unexplained by forecast; the sector horizontal location error was about 0.10. The paper also introduces an approach to estimate the sector three-dimensional actual weather coverage by using multiple sector forecasts, which turned out to produce better predictions. Using Multiple Linear Regression (MLR) model for this approach, the correlations between actual observation and the multiple sector forecast model prediction improved by several percents at 95% confidence level in comparison with single sector forecast.

Wang, Yao↗
NASA NTRS2013

Modeling Weather Impact on Airport Arrival Miles-in-Trail Restrictions

When the demand for either a region of airspace or an airport approaches or exceeds the available capacity, miles-in-trail (MIT) restrictions are the most frequently issued traffic management initiatives (TMIs) that are used to mitigate these imbalances. Miles-intrail operations require aircraft in a traffic stream to meet a specific inter-aircraft separation in exchange for maintaining a safe and orderly flow within the stream. This stream of aircraft can be departing an airport, over a common fix, through a sector, on a specific route or arriving at an airport. This study begins by providing a high-level overview of the distribution and causes of arrival MIT restrictions for the top ten airports in the United States. This is followed by an in-depth analysis of the frequency, duration and cause of MIT restrictions impacting the Hartsfield-Jackson Atlanta International Airport (ATL) from 2009 through 2011. Then, machine-learning methods for predicting (1) situations in which MIT restrictions for ATL arrivals are implemented under low demand scenarios, and (2) days in which a large number of MIT restrictions are required to properly manage and control ATL arrivals are presented. More specifically, these predictions were accomplished by using an ensemble of decision trees with Bootstrap aggregation (BDT) and supervised machine learning was used to train the BDT binary classification models. The models were subsequently validated using data cross validation methods. When predicting the occurrence of arrival MIT restrictions under low demand situations, the model was able to achieve over all accuracy rates ranging from 84% to 90%, with false alarm ratios ranging from 10% to 15%. In the second set of studies designed to predict days on which a high number of MIT restrictions were required, overall accuracy rates of 80% were achieved with false alarm ratios of 20%. Overall, the predictions proposed by the model give better MIT usage information than what has been currently provided under current day operations. Traffic flow managers can use these predictions to identify potential MIT restrictions to eliminate (e.g., those occurring during low arrival demand periods), and to determine the days in which a significant number of restrictions may be required

Operation↗
NASA NTRS2019

Long-Term Impacts of Selective Logging on Amazon Forest Dynamics from Multi-Temporal Airborne LiDAR

Forest degradation is common in tropical landscapes, but estimates of the extent and duration of degradation impacts are highly uncertain. In particular, selective logging is a form of forest degradation that alters canopy structure and function, with persistent ecological impacts following forest harvest. In this study, we employed airborne laser scanning in 2012 and 2014 to estimate three-dimensional changes in the forest canopy and understory structure and aboveground biomass following reduced-impact selective logging in a site in Eastern Amazon. Also, we developed a binary classification model to distinguish intact versus logged forests. We found that canopy gap frequency was significantly higher in logged versus intact forests even after 8 years (the time span of our study). In contrast, the understory of logged areas could not be distinguished from the understory of intact forests after 6–7 years of logging activities. Measuring new gap formation between LiDAR acquisitions in 2012 and 2014, we showed rates 2 to 7 times higher in logged areas compared to intact forests. New gaps were spatially clumped with 76 to 89% of new gaps within 5 m of prior logging damage. The biomass dynamics in areas logged between the two LiDAR acquisitions was clearly detected with an average estimated loss of -4.14 +/- 0.76 MgC/hay. In areas recovering from logging prior to the first acquisition, we estimated biomass gains close to zero. Together, our findings unravel the magnitude and duration of delayed impacts of selective logging in forest structural attributes, confirm the high potential of airborne LiDAR multitemporal data to characterize forest degradation in the tropics, and present a novel approach to forest classification using LiDAR data.

Pinage, Ekena Rangel↗
NASA NTRSDate not supplied

Quality of Candidate Flights and Submission Prediction in Collaborative Digital Departure Reroute

Collaborative Digital Departure Reroute (CDDR) enables the reroute of flights using a flight operator proposed set of alternative route options, referred to as Trajectory Option Set (TOS), in order to reduce delay on the airport's surface and in the Metroplex environment. The reroute functionality is enabled through NASA's Digital Information Platform (DIP). TOS candidate flights are defined as flights with an alternative route with delay savings greater than the flight operator defined relative trajectory cost. This paper analyzes the TOS candidate flights at Dallas/Fort Worth International Airport (KDFW) in the North Texas Metroplex to gain insight into which candidate flights are higher quality through a scoring method. This insight will inform refinements to help CDDR focus on high quality reroute opportunities. Binary classification models for predicting the flight operator's submission of candidate flights are also explored in this paper.

Machine Learning↗
NASA NTRSDate not supplied

Quality of Candidate Flights and Submission Prediction in Collaborative Digital Departure Reroute

Collaborative Digital Departure Reroute (CDDR) enables the reroute of flights using a flight operator proposed set of alternative route options, referred to as Trajectory Option Set (TOS), in order to reduce delay on the airport's surface and in the Metroplex environment. The reroute functionality is enabled through NASA's Digital Information Platform (DIP). TOS candidate flights are defined as flights with an alternative route with delay savings greater than the flight operator defined relative trajectory cost. This paper analyzes the TOS candidate flights at Dallas/Fort Worth International Airport (KDFW) in the North Texas Metroplex to gain insight into which candidate flights are higher quality through a scoring method. This insight will inform refinements to help CDDR focus on high quality reroute opportunities. Binary classification models for predicting the flight operator's submission of candidate flights are also explored in this paper.

Machine Learning↗