Search NASA⌕ Search

SEARCH · Search NASA

Results for “classifier models”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE 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↗
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

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.

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↗
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↗
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↗
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↗
DOE OSTI2025

Fleet-Level Energy and Emissions Analysis of the US Off-Road Sector with VISION: Off-Road

In the United States (US), the off-road sector (i.e., agriculture, construction, etc.) contributes to approximately 10% of the country’s transportation greenhouse gas (GHG) emissions, similar to the aviation sector. The off-road sector is extremely diverse; as the EPA MOVES model classifies it into 11 sub-sectors, which include 85 different types of equipment. These equipment types have horsepower ranging from 1 to greater than 3000 and have very different utilization, which makes decarbonization a complex endeavor. To address this, Argonne’s on-road vehicle fleet model, VISION, has been expanded to the off-road sector. The GHG emission factors for several energy carriers (biofuels, electricity, and hydrogen) have been incorporated from Argonne’s GREET model for a sector-wide well-to-wheel (WTW) GHG emissions analysis of the present and future fleet. Several technology adoption and energy decarbonization scenarios were modeled to better understand the appropriate actions required to drive towards net-zero emissions of the off-road sector. Results show that WTW decarbonization up to 67% can be achieved from 2023 to 2050 in a business-as-usual scenario. But with aggressive sales increases of electric and hydrogen powertrains, WTW decarbonization up to 77% can be achieved, which can further increase to 85% if electricity production is aggressively decarbonized by 2035.

lifecycle↗
DOE OSTI2022

Data reduction through optimized scalar quantization for more compact neural networks

Raw data generation for several existing and planned large physics experiments now exceeds TB/s rates, generating untenable data sets in very little time. Those data often demonstrate high dimensionality while containing limited information. Meanwhile, Machine Learning algorithms are now becoming an essential part of data processing and data analysis. Those algorithms can be used offline for post processing and post data analysis, or they can be used online for real time processing providing ultra low latency experiment monitoring. Both use cases would benefit from data throughput reduction while preserving relevant information: one by reducing the offline storage requirements by several orders of magnitude and the other by allowing ultra fast online inferencing with low complexity Machine Learning models. Moreover, reducing the data source throughput also reduces material cost, power and data management requirements. In this work we demonstrate optimized nonuniform scalar quantization for data source reduction. This data reduction allows lower dimensional representations while preserving the relevant information of the data, thus enabling high accuracy Tiny Machine Learning classifier models for online fast inferences. We demonstrate this approach with an initial proof of concept targeting the CookieBox, an array of electron spectrometers used for angular streaking, that was developed for LCLS-II as an online beam diagnostic tool. We used the Lloyd-Max algorithm with the CookieBox dataset to design an optimized nonuniform scalar quantizer. Optimized quantization lets us reduce input data volume by 69% with no significant impact on inference accuracy. When we tolerate a 2% loss on inference accuracy, we achieved 81% of input data reduction. Finally, the change from a 7-bit to a 3-bit input data quantization reduces our neural network size by 38%.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Assessing the Influence of Climate on the Spatial Pattern of West Nile Virus Incidence in the United States

West Nile virus (WNV) is the leading cause of mosquito-borne disease in humans in the United States. Since the introduction of the disease in 1999, incidence levels have stabilized in many regions, allowing for analysis of climate conditions that shape the spatial structure of disease incidence. Our goal was to identify the seasonal climate variables that influence the spatial extent and magnitude of WNV incidence in humans. We developed a predictive model of contemporary mean annual WNV incidence using U.S. county-level case reports from 2005 to 2019 and seasonally averaged climate variables. We used a random forest model that had an out-of-sample model performance of R 2 =0.61. Our model accurately captured the V-shaped area of higher WNV incidence that extends from states on the Canadian border south through the middle of the Great Plains. It also captured a region of moderate WNV incidence in the southern Mississippi Valley. The highest levels of WNV incidence were in regions with dry and cold winters and wet and mild summers. The random forest model classified counties with average winter precipitation levels <23.3 mm/month as having incidence levels over 11 times greater than those of counties that are wetter. Among the climate predictors, winter precipitation, fall precipitation, and winter temperature were the three most important predictive variables. We consider which aspects of the WNV transmission cycle climate conditions may benefit the most and argued that dry and cold winters are climate conditions optimal for the mosquito species key to amplifying WNV transmission. Our statistical model may be useful in projecting shifts in WNV risk in response to climate change.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Quantitative evaluations of subtropical westerly jet simulations over East Asia based on multiple CMIP5 and CMIP6 GCMs

As a salient feature of the Asian monsoon system, the East Asian subtropical westerly jet (EASWJ) exerts significant impacts on weather and climate changes in China and even throughout East Asia. In this paper, we applied a new self-adaptive algorithm to detect the EASWJ, identify its boundaries, and then represent its characteristics by defining three indices: the intensity index, meridional displacement index, and width index. Compared to the reanalysis data, we carried out a comprehensive, objective, and quantitative EASWJ evaluation using historical experiments from multiple global climate models (GCMs) in the Coupled Model Intercomparison Project Phases 5 and 6 (CMIP5 and CMIP6). The results show that the multimodel ensemble mean (MME) of both CMIP5 and CMIP6 can simulate the characteristics of winter EASWJ well. While for the other three seasons, the MME of both phase models underestimate the 200-hPa zonal wind (U200) strength in the jet coverage area and overestimate the U200 outside the jet area, such simulation results weaken the meridional shear of the wind field. The EASWJ simulations from the CMIP5 GCMs had no consistent intensity or location characteristic tendencies, and most CMIP5 GCMs tended to simulate relatively wide-coverage jets. In contrast, most CMIP6 GCMs are inclined to simulate significantly weaker, wider, and more-northward jets. Compared to the predecessors in CMIP5, about half of CMIP6 GCMs significantly minimized the jet intensity bias, but remarkable errors were still observed in their jet location and coverage representations. Furthermore, the comparative analysis performed by classifying models based on their evaluated simulation results suggested that the simulated performance of the meridional temperature gradient was important for capturing the EASWJ characteristics. Further in-depth study of the causes of model differences is warranted to improve simulation results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Evidence for the existence and ecological relevance of fast-cycling mineral-associated organic matter

Longstanding theories and models classify mineral-associated organic matter as the large ( ~ 60%) but slow-cycling and persistent portion of soil organic matter. Strong physico-chemical interactions and diffusion limitations restrict the turnover of mineral-associated organic matter, allowing carbon and nitrogen bound therein to persist in soil for as long as centuries to millennia. However, mineral-associated organic matter is a chemically and functionally diverse pool with a substantial portion cycling at relatively fast (i.e., minutes to years) timescales. Despite a growing body of evidence for the heterogenous and multi-pool nature of mineral-associated organic matter, we lack consensus on how to conceptualize and directly quantify fast-cycling mineral-associated organic matter and its ecological significance. We demonstrate that the dynamic qualities of fast-cycling mineral-associated organic matter vary based on 1) the chemistry of the mineral particles and organic matter, 2) the complex set of interactions between organic matter and the mineral matrix, and 3) the presence and strength of destabilizing forces that lead to decomposition or loss of mineral-associated organic matter (i.e., plant-microbe interactions, agricultural intensification, and climate change). Finally, we discuss potential implications and research opportunities for how we measure, manage, and model the dynamic subfraction of this otherwise persistent pool of soil organic matter.

Biological and medical sciences↗
DOE OSTI2024

Hot, cold, or just right? An infrared biometric sensor to improve occupant comfort and reduce overcooling in buildings via closed-loop control

To improve occupant comfort and save energy in buildings, we have developed a closed-loop air conditioning (AC) sensor-controller that predicts occupant thermal sensation from the thermographic measurement of skin temperature distribution, then uses this information to reduce overcooling (cooling-energy overuse that discomforts occupants) by regulating AC output. Taking measures to protect privacy, it combines thermal-infrared (TIR) and color (visible spectrum) cameras with machine vision to measure the skin-surface temperature profile. Since the human thermoregulation system uses skin blood flow to maintain thermoneutrality, the distribution of skin temperature can be used to predict warm, neutral, and cool thermal states. We conducted a series of human-subject thermal-sensation trials in cold-to-hot environments, measuring skin temperatures and recording thermal sensation votes. We then trained random-forest classification machine-learning models (classifiers) to estimate thermal sensation from skin temperatures or skin-temperature differences. The estimated thermal sensation was input to a proportional integral (PI) control algorithm for the AC, targeting a sensation level between neutral and warm. Our sensor-controller includes a sensor assembly, server software, and client software. The server software orients the cameras and transmits images to the client software, which in turn assesses occupant skin temperature distribution, estimates occupant thermal sensation, and controls AC operation. A demonstration conducted in a conference room in an office building near Houston, TX showed that our system reduced overcooling, decreasing AC load by 42% when the room was occupied while improving occupant comfort (fraction of “comfortable” votes) by 15 percentage points.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

The Dichotomy of Wet and Dry Trends Over India by Aerosol Indirect Effects in CMIP5 Models

Abstract Aerosol‐cloud interactions, also known as aerosol indirect effect (AIE), substantially impact rainfall frequency and intensity. Here, we analyze NEX‐GDDP, a multimodel ensemble of high‐resolution (0.25°) historical simulations and future projections statistically downscaled from 21 CMIP5 models, to quantify the importance of AIE on extreme climate indices, specifically consecutive dry days (CDD), consecutive wet days (CWD), and simple daily intensity index (SDII). The 21 NEX‐GDDP CMIP5 models are classified into models with reliable (REM) and unreliable (UREM) monsoon climate simulated over India based on their simulations of the climate indices. The REM group is further decomposed based on whether the models represent only the direct (REM ADE ) or the direct and indirect (REM ALL ) aerosol effects. Compared to REM ADE , including all aerosol effects significantly improves the model skills in simulating the observed historical trends of all three climate indices over India. Specifically, AIE enhances dry days and reduces wet days in India in the historical period, consistent with the observed changes. However, by the middle and end of the 21st century, there is a relative decrease in dry days and an increase in wet days and precipitation intensity. Moreover, the REM ALL simulated future CWD and CDD changes are mostly opposite to those in REM ADE , indicating the substantial role of AIE in the future projection of dry and wet climates. These findings underscore the crucial role of AIE in future projections of the Indian hydroclimate and motivate efforts to accurately represent AIE in climate models.

54 ENVIRONMENTAL SCIENCES↗