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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 sources NASA NTRS DOE OSTI

DOE OSTI2025

Interpretable machine learning models classify minerals via spectroscopy

Developing methods to identify mineral species confidently and rapidly from Raman spectral analysis is critical to numerous fields. Traditionally, analysis relies on pattern matching the Raman spectrum of an unknown dataset with a supporting library of well-characterized spectral data, which may prove difficult for environmental samples that are poorly crystalline or phase mixtures. Here, we developed interpretable machine learning models that can classify uranium minerals by secondary oxyanion chemistry and other physicochemical properties based solely on Raman spectra. This new ML method produces a mineral profile of physical and chemical properties for an unknown sample and can rapidly classify or identify unknown minerals from Raman data, without the need for an exact pattern match in a spectral library. Training models are validated by 1. Strong correlation of high confidence model regions with published spectroscopic assignments and 2. Correct classification of a mineral not present in training data. Training data are from the Compendium of Uranium Raman and Infrared Experimental Spectra and available crystallographic information files within the open-source Smart Spectral Matching scientific framework. Physically meaningful classifier models can rapidly identify key structural and chemical information about unknown uranium minerals and the overall methodology is broadly applicable for mineral phases.

Machine learning↗

NASA NTRS1979

Worldwide cloud cover model

Classifying worldwide cloudiness into homogeneous regions, using a satellite data set containing day IR, night IR, incoming, and absorbed solar radiation measurements on a 2.5-degree latitude-longitude grid is considered. Methods of analysis are presented.

Smith, O. E.↗

NASA NTRS2006

Modeling and Classifying Six-Dimensional Trajectories for Teleoperation Under a Time Delay

Within the context of teleoperating the JSC Robonaut humanoid robot under 2-10 second time delays, this paper explores the technical problem of modeling and classifying human motions represented as six-dimensional (position and orientation) trajectories. A dual path research agenda is reviewed which explored both deterministic approaches and stochastic approaches using Hidden Markov Models. Finally, recent results are shown from a new model which represents the fusion of these two research paths. Questions are also raised about the possibility of automatically generating autonomous actions by reusing the same predictive models of human behavior to be the source of autonomous control. This approach changes the role of teleoperation from being a stand-in for autonomy into the first data collection step for developing generative models capable of autonomous control of the robot.

SunSpiral, Vytas↗

DOE OSTI2020

Developing a common approach for classifying building stock energy models

Buildings contribute 40% of global greenhouse gas emissions; therefore, strategies that can substantially reduce emissions from the building stock are key components of broader efforts to mitigate climate change and achieve sustainable development goals. Models that represent the energy use of the building stock at scale under various scenarios of technology deployment have become essential tools for the development and assessment of such strategies. Within the past decade, the capabilities of building stock energy models have improved considerably, while model transferability and sharing has increased. Given these advancements, a new scheme for classifying building stock energy models is needed to facilitate communication of modeling approaches and the handling of important model dimensions. In this article, we present a new building stock energy model classification framework that leverages international modeling expertise from the participants of the International Energy Agency's Annex 70 on Building Energy Epidemiology. Drawing from existing classification studies, here we propose a multi-layer quadrant scheme that classifies modeling techniques by their design (top-down or bottom-up) and degree of transparency (black-box or white-box); hybrid techniques are also addressed. The quadrant scheme is unique from previous classification approaches in its non-hierarchical organization, coverage of and ability to incorporate emerging modeling techniques, and treatment of additional modeling dimensions. The new classification framework will be complemented by a reporting protocol and online registry of existing models as part of ongoing work in Annex 70 to increase the interpretability and utility of building stock energy models for energy policy making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2020

Multi-class decision system for categorizing industrial asset attack and fault types

According to some embodiments, a plurality of monitoring nodes may each generate a series of current monitoring node values over time that represent a current operation of the industrial asset. A node classifier computer, coupled to the plurality of monitoring nodes, may receive the series of current monitoring node values and generate a set of current feature vectors. The node classifier computer may also access at least one multi-class classifier model having at least one decision boundary. The at least one multi-class classifier model may be executed and the system may transmit a classification result based on the set of current feature vectors and the at least one decision boundary. The classification result may indicate, for example, whether a monitoring node status is normal, attacked, or faulty.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Development of chemometric models to classify solid-state U materials by micro-Raman spectroscopy

Discerning uranium (U) particles found in environmental sampling is of interest for monitoring the peaceful use of nuclear material. In this study, a soft independent modeling of class analogy (SIMCA) library was successfully developed for the classification of a four-class system consisting of α-U 3 O 8 , UO 2 , UO 2 (NO 3 ) 2 ·6H 2 O (UNH), and UO 2 O 2 ·4H 2 O (studtite) by Raman spectroscopy in the presence of matrix particulates and additional outliers. Spectral variability between numerous particles of each type revealed appreciable differences as a function of particle size with respect to hydration state and potential oxide phase within each class. Interclass variability was accounted for using both unsupervised and supervised chemometric models. The supervised SIMCA model displayed reasonable sensitivity for each U class and a high degree of specificity by returning whether a spectrum belonged to one class or not. This work demonstrates how Raman spectral features and chemometrics can be used to distinguish U materials from one another and from matrix materials such as flint clay. Combining the outlined chemometric approach with Raman mapping sequences could provide a rapid, nondestructive technique to characterize the chemical composition of a diverse collection of U compounds amid background samples for environmental sampling, nuclear forensics, and industrial applications.

Actinide↗

DOE OSTI2026

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Detection of novel threat agents presents several challenges, a principle one being the development of untargeted methods to screen an increasing number of threat chemicals whose exact structures are unknown. With the use of Machine Learning (ML) tools, we can guide the development of analytical methods for broad-spectrum detection of unbounded threat chemical families in complex mixtures. Toward this goal, we used nominal mass and high-resolution mass spectrometry data for hundreds of synthetic opioids and non-opioid compounds. We tested two ML techniques, logistic regression and random forest, to develop models towards a practical, implementable method for opioid detection. We found that of these tested ML methods, random forest models resulted in the highest validation accuracy (95+%) for both nominal mass and high-resolution classification of opioids versus non-opioids, with low false positive and false negative rates. The RF models were then used to successfully predict the classification of 10 compounds—five opioids and five non-opioids not part of the training and validation analysis. This application of ML is a critical step towards the development of field-deployable nominal mass spectrometers with ML-driven analyses for classification of emergent threats.

Chemistry↗

DOE OSTI2025

Random forest models accurately classify synthetic opioids using high-dimensionality mass spectrometry datasets

Arasteh, Kourosh [Lawrence Livermore National Labo↗

DOE OSTI2022

Gaussian Process Classification for Galaxy Blend Identification in LSST

Abstract A significant fraction of observed galaxies in the Rubin Observatory Legacy Survey of Space and Time (LSST) will overlap at least one other galaxy along the same line of sight, in a so-called “blend.” The current standard method of assessing blend likelihood in LSST images relies on counting up the number of intensity peaks in the smoothed image of a blend candidate, but the reliability of this procedure has not yet been comprehensively studied. Here we construct a realistic distribution of blended and unblended galaxies through high-fidelity simulations of LSST-like images, and from this we examine the blend classification accuracy of the standard peak-finding method. Furthermore, we develop a novel Gaussian process blend classifier model, and show that this classifier is competitive with both the peak finding method as well as with a convolutional neural network model. Finally, whereas the peak-finding method does not naturally assign probabilities to its classification estimates, the Gaussian process model does, and we show that the Gaussian process classification probabilities are generally reliable.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Bayesian classification in a time-varying environment

The problem of classifying a pattern based on multiple observation made in a time-varying environment is analyzed. The identity of the pattern may itself change. A Bayesian solution is derived, after which the conditions of the physical situation are invoked to produce a cascade classifier model. Experimental results based on remote sensing data demonstrate the effectiveness of the classifier.

Swain, P. H.↗

DOE OSTI2023

Using Ultrasound Image Augmentation and Ensemble Predictions to Prevent Machine-Learning Model Overfitting

Deep learning predictive models have the potential to simplify and automate medical imaging diagnostics by lowering the skill threshold for image interpretation. However, this requires predictive models that are generalized to handle subject variability as seen clinically. Here, we highlight methods to improve test accuracy of an image classifier model for shrapnel identification using tissue phantom image sets. Using a previously developed image classifier neural network—termed ShrapML—blind test accuracy was less than 70% and was variable depending on the training/test data setup, as determined by a leave one subject out (LOSO) holdout methodology. Introduction of affine transformations for image augmentation or MixUp methodologies to generate additional training sets improved model performance and overall accuracy improved to 75%. Further improvements were made by aggregating predictions across five LOSO holdouts. This was done by bagging confidences or predictions from all LOSOs or the top-3 LOSO confidence models for each image prediction. Top-3 LOSO confidence bagging performed best, with test accuracy improved to greater than 85% accuracy for two different blind tissue phantoms. This was confirmed by gradient-weighted class activation mapping to highlight that the image classifier was tracking shrapnel in the image sets. Overall, data augmentation and ensemble prediction approaches were suitable for creating more generalized predictive models for ultrasound image analysis, a critical step for real-time diagnostic deployment.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1973

A criterion based on an information theoretic measure for goodness of fit between classifier and data base

A criterion for characterizing an iteratively trained classifier is presented. The criterion is based on an information theoretic measure that is developed from modeling classifier training iterations as a set of cascaded channels. The criterion is formulated as a figure of merit and as a performance index to check the appropriateness of application of the characterized classifier to an unknown data base and for implementing classifier updates and data selection respectively.

Eigen, D. J.↗

NASA NTRS1974

A criterion based on an information theoretic measure for goodness of fit between classifier and data base

Eigen, D. J.↗

DOE OSTI2021

Characterize traction–separation relation and interfacial imperfections by data-driven machine learning models

Abstract Interfacial mechanical properties are important in composite materials and their applications, including vehicle structures, soft robotics, and aerospace. Determination of traction–separation (T–S) relations at interfaces in composites can lead to evaluations of structural reliability, mechanical robustness, and failures criteria. Accurate measurements on T–S relations remain challenging, since the interface interaction generally happens at microscale. With the emergence of machine learning (ML), data-driven model becomes an efficient method to predict the interfacial behaviors of composite materials and establish their mechanical models. Here, we combine ML, finite element analysis (FEA), and empirical experiments to develop data-driven models that characterize interfacial mechanical properties precisely. Specifically, eXtreme Gradient Boosting (XGBoost) multi-output regressions and classifier models are harnessed to investigate T–S relations and identify the imperfection locations at interface, respectively. The ML models are trained by macroscale force–displacement curves, which can be obtained from FEA and standard mechanical tests. The results show accurate predictions of T–S relations ( R 2 = 0.988) and identification of imperfection locations with 81% accuracy. Our models are experimentally validated by 3D printed double cantilever beam specimens from different materials. Furthermore, we provide a code package containing trained ML models, allowing other researchers to establish T–S relations for different material interfaces.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

Classification Experiments on Real-World Texture

Many papers have been published concerning the analysis of visual texture and yet, very few application domains use texture for image classification. A possible reason for this low transfer of the technology is the lack of experience and testing in real-world imagery. In this paper, we assess the performance of texture-based classification methods on a number of real-world images relevant to autonomous navigation on cross-country terrain and to autonomous geology. Texture analysis will form part of the closed loop that allows a robotic system to navigate autonomously. We have implemented two different classifiers on features extracted by Gabor filter banks. The first classifier models feature distributions for each texture class using a mixture of Gaussians. Classification is performed using Maximum Likelihood. The second classifier represents local statistics using marginal histograms of the features over a region centered on the pixel to be classified. We measure system performance by comparison to ground truth image labels.

image segmentation↗

NASA NTRS2021

LMI Automated Air Cargo Operations Market Research and Forecast

Air cargo companies and aircraft manufacturers are making significant investments to enable the movement of cargo via various levels of automated aircraft, such as aircraft with simplified operations requiring a pilot, remotely monitored or piloted aircraft, and fully autonomous aircraft. These investments will enable greater utilization of aircraft while unlocking new air markets traditionally served by ground transportation only. Many cargo companies and aerospace experts envision an operating environment where a single pilot can remotely pilot numerous aircraft for significant increases in aircraft utilization. The future operating environment is also expected to include air cargo companies flying smaller aircraft from airports and distribution centers outside of major U.S. cities directly to city centers, avoiding congested roads and increasing the velocity of cargo shipments, particularly those that are high-value, time-sensitive, and security sensitive (e.g., pharmaceuticals). These are just a few benefits and use cases cargo companies and aerospace experts see with the advancement of automated aircraft. To better understand industry’s direction, NASA asked the LMI team to research the forecasted market, timeline, risks, and opportunities for integrating unmanned air cargo vehicles into the National Airspace System (NAS) for the development and prioritization of the NASA Air Traffic Management Exploration’s research portfolio. To begin the market assessment, we gathered data via numerous interviews with key stakeholders and subject matter experts and literature reviews. We then incorporated the data into a custom-developed systems dynamics model and visualization dashboard. The systems dynamics model classifies the size of the market (e.g., overall fleet size of automated aircraft) for four distinct use cases over the next 20 years. The model projects the year in which various types of automated aircraft will enter the commercial cargo market based on our team’s collective research on when the aircraft will become viable due to manufacturing and certification timelines and the lifespan of current, traditional aircraft in service, to name a few factors. While this report defines our team’s estimated timeline of entry and growth, the model is dynamic—it enables NASA users to change variables based on future-year events. If the necessary technology does not mature in accordance with our assumptions, then NASA can change the entry of service point to a future year to evaluate the changes in market size in the out years. This flexibility will be key to deciding when and how NASA should invest in various areas.

air traffic management↗

DOE OSTI2020

Efficient Distance-based Global Sensitivity Analysis for Terrestrial Ecosystem Modeling

Sensitivity analysis in terrestrial ecosystem modeling is important for understanding controlling processes, guiding model development, and targeting new observations to reduce parameter and prediction uncertainty. Complex and computationally expensive terrestrial ecosystem models (TEM) limit the number of ensemble simulations, requiring sophisticated and efficient methods to analyze sensitivities of multiple model responses to different types of parameter uncertainties. In this study, we propose a distance-based global sensitivity analysis (DGSA) method. DGSA first classifies model response samples into a small set of discrete classes and then calculates the distance between parameter frequency distributions in different classes to measure the parameter sensitivity. The principle is that, if the parameter distribution is the same in each class, then the model response is insensitive to the parameter, while a large difference in the distributions indicates the parameter is influential to the response. Built on this idea, DGSA can be applied to analyze sensitivity of a single and a group of responses to different kinds of parameter uncertainties including continuous, discrete and even stochastic. Besides the main-effect sensitivity from a single parameter, DGSA can also quantify the sensitivity from parameter interactions. Additionally, DGSA is computationally efficient which can use a small number of model evaluations to obtain an accurate and statistically significant result. We applied DGSA to two TEMs, one having eight parameters and three kinds of model responses, and the other having 47 parameters and a long-period response. We demonstrated that DGSA can be used for sensitivity problems with multiple responses and high-dimensional parameters efficiently.

Lu, Dan↗

DOE OSTI2022

Choices in land representation materially affect modeled biofuel carbon intensity estimates

Estimates of biofuel carbon intensity are uncertain and depend on modeled land use change (LUC) emissions. While analysts have focused on economic and agronomic assumptions affecting the quantity of land converted, researchers have paid less attention to how models classify land into broad categories and designate some categories as ineligible for LUC. To explore the effect of these land representation attributes, we use three versions of a global human and Earth systems model, GCAM, and compute the “carbon intensity of land-use change” (CI-LUC) from increased U.S. corn ethanol production. We consider uncertainty in model parameters along with the choice of land representation and find the latter is one of the most influential parameters on estimated CI-LUC. A version of the model that protects 90% of non-commercial land reduced estimated CI-LUC by an average of 32% across Monte Carlo trials compared to our baseline model. Another version that mimics the GTAP-BIO-ADV land representation, which protects all non-commercial land, reduced CI-LUC by an average of 19%. The results of this experiment suggest that analyses of LUC that exclude non-commercial land categories or assume more land is protected than empirically justified underestimate biofuel induced LUC GHG emissions.

09 BIOMASS FUELS↗