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DOE OSTI2023

Machine Learning Benchmarks for the Classification of Equivalent Circuit Models from Electrochemical Impedance Spectra

Analysis of Electrochemical Impedance Spectroscopy (EIS) data for electrochemical systems often consists of defining an Equivalent Circuit Model (ECM) using expert knowledge and then optimizing the model parameters to deconvolute various resistance, capacitive, inductive, or diffusion responses. For small data sets, this procedure can be conducted manually; however, it is not feasible to manually define a proper ECM for extensive data sets with a wide range of EIS responses. Automatic identification of an ECM would substantially accelerate the analysis of large sets of EIS data. We showcase machine learning methods to classify the ECMs of 9,300 impedance spectra provided by QuantumScape for the BatteryDEV hackathon. The best-performing approach is a gradient-boosted tree model utilizing a library to automatically generate features, followed by a random forest model using the raw spectral data. A convolutional neural network using boolean images of Nyquist representations is presented as an alternative, although it achieves a lower accuracy. We publish the data and open source the associated code. The approaches described in this article can serve as benchmarks for further studies. A key remaining challenge is the identifiability of the labels, underlined by the model performances and the comparison of misclassified spectra.

25 ENERGY STORAGE↗

NASA NTRS2021

Bhutan Agriculture: Developing a Crop Mask for Rice and Creating a Data Collection Protocol Utilizing Remotely Sensed Data in Bhutan

Rice cultivation in Bhutan has been increasingly threatened by deteriorating soil health and outbreaks of diseases and pests associated with the global change in climate patterns. Field surveys, which the national government of Bhutan has relied on to monitor remote agricultural lands, are becoming increasingly overwhelmed by growing threats to agricultural health. To address these concerns, NASA DEVELOP partnered with the Department of Agriculture of Bhutan, the Bhutan Foundation, and the Ugyen Wangchuck Institute of Conservation and Environmental Research (UWICER) and worked to increase the government of Bhutan’s agricultural monitoring capacity. Utilizing Earth observations including Landsat 8 Operational Land Imager (OLI), Sentinel-1 C-band Synthetic Aperture Radar (C-SAR), Shuttle Radar Topography Mission (SRTM), and Planet imagery, the DEVELOP team worked with NASA SERVIR and created a sampling protocol to identify rice plantations and supplement field surveys for more efficient agriculture monitoring. The analysis focused on districts Paro, Punakha, Samtse, Sarpang, Trongsa, Zhemgang, Wangdue Phodrang, and Samdrup Jongkhar in the year 2020 during the period of transplantation (June) to harvesting of rice (November). The team provided the partners with a sampling protocol for integrating NASA Earth observations into their crop monitoring methods, as well as a crop mask for rice identification and to aid crop management. The crop mask for rice was developed using the Random Forest (RF) classifier for the eight districts of Bhutan. Visually, the random forest model has proved to be more accurate and precise than the classification and Regression Tree model. Statistically, the Random Forest model was 91.8% accurate in identifying rice in Bhutan.

Yeshey Seldon↗

NASA NTRS1992

STARBASE: Database software for the automated plate scanner

The Automated Plate Scanner (APS) of the University of Minnesota, a unique high speed 'flying spot' laser scanner, is currently being used to scan and digitize the 936 O and E plate pairs of the first epoch Palomar Sky Survey. The resultant database will be used to produce a catalog of approximately a billion stars and several million galaxies. The authors describe the ongoing development of a dedicated APS database management system which will be made available to the astronomical community via INTERNET. A specialized DBMS called STARBASE has been written to provide fast access to the hundreds of millions of images collected by the APS. This system provides an initial reduction mode for parameterizing APS images and classifying image types using a novel set of neural network image classifiers. A second analysis mode, which will be that commonly used by the general user, provides for searches of the database which may be constrained by any combination of physical and positional parameters. Through the use of pointer hash trees, the system has been optimized for extremely fast positional searches using either right ascension and declination on the sky or linear X and Y positions on the POSS field. In addition to fast data retrieval, the system provides a graphical interface for displaying scatter plots or histograms of the collected data. In addition, a specialized image display system is being developed to allow the user to view densitometric data for all objects classified as extended by the neural network system. Finally, STARBASE has a flexible programmable interface which allows other programs to access information in the database. This allows users to write applications suited to their particular needs to process APS data.

Odewahn, S. C.↗

DOE OSTI2022

Classification of Nuclear Reactor Operations Using Spatial Importance and Multisensor Networks

Distributed multisensor networks record multiple data streams that can be used as inputs to machine learning models designed to classify operations relevant to proliferation at nuclear reactors. The goal of this work is to demonstrate methods to assess the importance of each node (a single multisensor) and region (a group of proximate multisensors) to machine learning model performance in a reactor monitoring scenario. This, in turn, provides insight into model behavior, a critical requirement of data-driven applications in nuclear security. Using data collected at the High Flux Isotope Reactor at Oak Ridge National Laboratory via a network of Merlyn multisensors, two different models were trained to classify the reactor’s operational state: a hidden Markov model (HMM), which is simpler and more transparent, and a feed-forward neural network, which is less inherently interpretable. Traditional wrapper methods for feature importance were extended to identify nodes and regions in the multisensor network with strong positive and negative impacts on the classification problem. These spatial-importance algorithms were evaluated on the two different classifiers. The classification accuracy was then improved relative to baseline models via feature selection from 0.583 to 0.839 and from 0.811 ± 0.005 to 0.884 ± 0.004 for the HMM and feed-forward neural network, respectively. While some differences in node and region importance were observed when using different classifiers and wrapper methods, the nodes near the facility’s cooling tower were consistently identified as important—a conclusion further supported by studies on feature importance in decision trees. Node and region importance methods are model-agnostic, inform feature selection for improved model performance, and can provide insight into opaque classification models in the nuclear security domain.

Tibbetts, Jake↗

NASA NTRS1972

Methodology for the systems engineering process. Volume 2: Technical parameters

A scheme based on starting the logic networks from the development and mission factors that are of primary concern in an aerospace system is described. This approach required identifying the primary states (design, design verification, premission, mission, postmission), identifying the attributes within each state (performance capability, survival, evaluation, operation, etc), and then developing the generic relationships of variables for each branch. To illustrate this concept, a system was used that involved a launch vehicle and payload for an earth orbit mission. Examination showed that this example was sufficient to illustrate the concept. A more complicated mission would follow the same basic approach, but would have more extensive sets of generic trees and more correlation points between branches. It has been shown that in each system state (production, test, and use), a logic could be developed to order and classify the parameters involved in the translation from general requirements to specific requirements for system elements.

Nelson, J. H.↗

NASA NTRSDate not supplied

Assessing Alaskan boreal forest landcover affected by climate-wildfire interactions from ground truth surveys and NASA airborne remote sensing

Alaska’s boreal forest is facing unprecedented challenges under rapid climate warming (increasingly severe fires, droughts, pest/disease outbreaks) that may destabilize its function as a global carbon sink. Forests near Fairbanks may be especially vulnerable, impacting air quality and ecosystem services. We combined GT (ground truthing) with Airborne Visible InfraRed Imaging Spectrometer (AVIRIS-NG) images collected by the NASA Arctic-Boreal Vulnerability Experiment (ABoVE) program (2017-2019) to assess landcover change at five recently burned sites (2001-2019) of different fire severities and moisture regimes within 30 miles of Fairbanks. GT included tree seedling counts, understory % cover and >50% leaf canopy color assessment. 36 circular plots (1/30 ha radius) including 6 moderate to severely burned plots were selected across sites. 31 additional sites including 12 burned sites were geotagged in photos. AVIRIS images were processed from 29 spectral bands selected to identify changes in chlorophyll and water content. Images were segmented into natural boundaries (polygons) using ENVI 5.5 software. A spectral library of 8 AVIRIS bands with high between-class/low within-class variation was used in two random forest models to predict vegetation classes (model 1: 12 classes, model 2: 14 classes) in each AVIRIS scene, using 20% of the data as training data. Model 2 classified 20% more polygons overall, but only 42% of GT/geotagged polygons were correctly classified by both models. More forest sites were correctly classified (63%) than open vegetation (32%) or post-fire sites (46%). 50% of aspen forest and post-fire polygons were misclassified as shrubland. GT revealed that post-fire plots supported 134,000 (± 48,000) tree seedlings and saplings ha-1 (0.2 - 4 m height, 64% deciduous) versus 2500 (± 2100) shrubs ha-1 (1-6 m height). > 50% canopy browning was observed in conifer forest (8 plots) with no signs of insect infestation. Canopy herbivory > 50% (leaf miner, leaf beetle) and moose herbivory of tree bark was seen across aspen sites. Our study suggests: 1) low canopy vegetation presents challenges for improved landcover classification, and 2) aspen forest should be differentiated in vegetation maps which would aid in tracking herbivory.

Alaska↗

DOE OSTI2022

Predicting resistive wall mode stability in NSTX through balanced random forests and counterfactual explanations

Abstract Recent progress in the disruption event characterization and forecasting framework has shown that machine learning guided by physics theory can be easily implemented as a supporting tool for fast computations of ideal stability properties of spherical tokamak plasmas. In order to extend that idea, a customized random forest (RF) classifier that takes into account imbalances in the training data is hereby employed to predict resistive wall mode (RWM) stability for a set of high beta discharges from the NSTX spherical tokamak. More specifically, with this approach each tree in the forest is trained on samples that are balanced via a user-defined over/under-sampler. The proposed approach outperforms classical cost-sensitive methods for the problem at hand, in particular when used in conjunction with a random under-sampler, while also resulting in a threefold reduction in the training time. In order to further understand the model’s decisions, a diverse set of counterfactual explanations based on determinantal point processes (DPP) is generated and evaluated. Via the use of DPP, the underlying RF model infers that the presence of hypothetical magnetohydrodynamic activity would have prevented the RWM from concurrently going unstable, which is a counterfactual that is indeed expected by prior physics knowledge. Given that this result emerges from the data-driven RF classifier and the use of counterfactuals without hand-crafted embedding of prior physics intuition, it motivates the usage of counterfactuals to simulate real-time control by generating the β N levels that would have kept the RWM stable for a set of unstable discharges.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Distinguishing Orbiting and Infalling Dark Matter Particles with Machine Learning

Dark matter halos are typically defined as spheres that enclose some overdensity, but these sharp, somewhat arbitrary boundaries introduce nonphysical artifacts such as backsplash halos, pseudo-volution, and an incomplete accounting of halo mass. A more physically motivated alternative is to define halos as the collection of particles that are physically orbiting within their potential well. However, existing methods to classify particles as orbiting or infalling suffer from trade-offs between accuracy, computational cost, and generalizability across cosmologies. We present an efficient, yet accurate, supervised machine learning approach using decision trees. The classification is based on only the particle radii and velocities at two epochs. Compared to detailed analysis of particle trajectories, we find that our model matches the classification of 97% of particles. Consequently, we are able to quickly and accurately reproduce the density profiles of the orbiting and infalling components out to many virial radii. We demonstrate that our model generalizes to a significantly different cosmology that lies outside the training data set. We make publicly available both our final model and the code to train similar models.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2003

Subauditory Speech Recognition based on EMG/EPG Signals

Sub-vocal electromyogram/electro palatogram (EMG/EPG) signal classification is demonstrated as a method for silent speech recognition. Recorded electrode signals from the larynx and sublingual areas below the jaw are noise filtered and transformed into features using complex dual quad tree wavelet transforms. Feature sets for six sub-vocally pronounced words are trained using a trust region scaled conjugate gradient neural network. Real time signals for previously unseen patterns are classified into categories suitable for primitive control of graphic objects. Feature construction, recognition accuracy and an approach for extension of the technique to a variety of real world application areas are presented.

Jorgensen, Charles↗

DOE OSTI2020

A spy among the trees: The story of Oscar Seborer

It’s long been known that during World War II, Theodore “Ted” Hall, Klaus Fuchs and David Greenglass committed espionage at Los Alamos. Each worked at the secret laboratory charged with creating the world’s first atomic bomb, stole classified weapons information and shared it with the Soviet Union. Just recently, though, in September 2019, historians confirmed a fourth wartime spy: Oscar Seborer. But who was he, what do we know about him, what did he steal, and what happened to him?

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2015

Group‐sparsity regularization for ill‐posed subsurface flow inverse problems

Abstract Sparse representations provide a flexible and parsimonious description of high‐dimensional model parameters for reconstructing subsurface flow property distributions from limited data. To further constrain ill‐posed inverse problems, group‐sparsity regularization can take advantage of possible relations among the entries of unknown sparse parameters when: (i) groups of sparse elements are either collectively active or inactive and (ii) only a small subset of the groups is needed to approximate the parameters of interest. Since subsurface properties exhibit strong spatial connectivity patterns they may lead to sparse descriptions that satisfy the above conditions. When these conditions are established, a group‐sparsity regularization can be invoked to facilitate the solution of the resulting inverse problem by promoting sparsity across the groups. The proposed regularization penalizes the number of groups that are active without promoting sparsity within each group. Two implementations are presented in this paper: one based on the multiresolution tree structure of Wavelet decomposition, without a need for explicit prior models, and another learned from explicit prior model realizations using sparse principal component analysis (SPCA). In each case, the approach first classifies the parameters of the inverse problem into groups with specific connectivity features, and then takes advantage of the grouped structure to recover the relevant patterns in the solution from the flow data. Several numerical experiments are presented to demonstrate the advantages of additional constraining power of group‐sparsity in solving ill‐posed subsurface model calibration problems.

Golmohammadi, Azarang↗

DOE OSTI2015

Evaluation of machine learning algorithms for prediction of regions of high Reynolds averaged Navier Stokes uncertainty

Reynolds Averaged Navier Stokes (RANS) models are widely used in industry to predict fluid flows, despite their acknowledged deficiencies. Not only do RANS models often produce inaccurate flow predictions, but there are very limited diagnostics available to assess RANS accuracy for a given flow configuration. If experimental or higher fidelity simulation results are not available for RANS validation, there is no reliable method to evaluate RANS accuracy. This paper explores the potential of utilizing machine learning algorithms to identify regions of high RANS uncertainty. Three different machine learning algorithms were evaluated: support vector machines, Adaboost decision trees, and random forests. The algorithms were trained on a database of canonical flow configurations for which validated direct numerical simulation or large eddy simulation results were available, and were used to classify RANS results on a point-by-point basis as having either high or low uncertainty, based on the breakdown of specific RANS modeling assumptions. Classifiers were developed for three different basic RANS eddy viscosity model assumptions: the isotropy of the eddy viscosity, the linearity of the Boussinesq hypothesis, and the non-negativity of the eddy viscosity. It is shown that these classifiers are able to generalize to flows substantially different from those on which they were trained. As a result, feature selection techniques, model evaluation, and extrapolation detection are discussed in the context of turbulence modeling applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

New avenues for |∆ B | = 2 processes beyond neutron-antineutron oscillations

We explore baryon-number-violating (|∆ B | = 2) processes beyond the well-known neutron-antineutron ($n - \bar{n}$) oscillations, focusing on the $Λ - \bar{Λ}$ system. The presence of a strange quark in the Λ baryon introduces a new set of six-quark operators roughly of the form (uds) 2 , which are different from the (udd) 2 operators responsible for oscillations. Using the Standard Model Effective Field Theory (SMEFT), we classify all dimension-9 operators that cause |∆ B | = 2 transitions and study their UV completions mediated by exotic scalar fields with trilinear interactions. We demonstrate that in these models, oscillations can occur at tree level, with $n - \bar{n}$ mixing potentially appearing at higher loop levels. We employ a chiral effective theory to constrain the effective mass mixing δm Λ , deriving bounds from current experimental limits on $n - \bar{n}$ oscillations and dinucleon decays such as pp → K + K + . These bounds indicate that $Λ - \bar{Λ}$ oscillations probe a complementary parameter space, sensitive to baryon-number violation at scales up to 10 2 − 10 3 TeV. We show that the existing indirect bounds make it challenging to provide a competitive bound on δm Λ at BESIII.

Baryon/Lepton Number Violation↗

NASA NTRS1974

A technique for correcting ERTS data for solar and atmospheric effects

The author has identified the following significant results. Based on processing ERTS CCTs and ground truth measurements collected on Michigan test site for January through June 1973 the following results are reported: (1) atmospheric transmittance varies from: 70 to 85% in band 4, 77 to 90% in band 5, 80 to 94% in band 6, and 84 to 97% in band 7 for one air mass; (2) a simple technique was established to determine atmospheric scattering seen by ERTS-1 from ground-based measurements of sky radiance. For March this scattering was found to be equivalent to that produced by a target having a reflectance of 11% in band 4, 5% in band 5, 3% in band 6, and 1% in band 7; (3) computer ability to classify targets under various atmospheric conditions was determined. Classification accuracy on some targets (i.e. bare soil, tended grass, etc.) hold up even under the most severe atmospheres encountered, while performance on other targets (trees, urban, rangeland, etc.) degrades rapidly when atmospheric conditions change by the smallest amount.

Rogers, R. H.↗

DOE OSTI2017

A subleading operator basis and matching for gg → H

The Soft Collinear Effective Theory (SCET) is a powerful framework for studying factorization of amplitudes and cross sections in QCD. While factorization at leading power has been well studied, much less is known at subleading powers in the λ << 1 expansion. In SCET subleading soft and collinear corrections to a hard scattering process are described by power suppressed operators, which must be fixed case by case, and by well established power suppressed Lagrangians, which correct the leading power dynamics of soft and collinear radiation. Here we present a complete basis of power suppressed operators for gg → H, classifying all operators which contribute to the cross section at O(λ 2 ), and showing how helicity selection rules significantly simplify the construction of the operator basis. We perform matching calculations to determine the tree level Wilson coefficients of our operators. These results are useful for studies of power corrections in both resummed and fixed order perturbation theory, and for understanding the factorization properties of gauge theory amplitudes and cross sections at subleading power. As one example, our basis of operators can be used to analytically compute power corrections for N -jettiness subtractions for gg induced color singlet production at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Characterization of Pulmonary Nodules Based on Features of Margin Sharpness and Texture

Lung cancer is the leading cause of cancer-related deaths in the world, and one of its manifestations occurs with the appearance of pulmonary nodules. The classification of pulmonary nodules may be a complex task to specialists due to temporal, subjective, and qualitative aspects. Therefore, it is important to integrate computational tools to the early pulmonary nodule classification process, since they have the potential to characterize objectively and quantitatively the lesions. In this context, the goal of this work is to perform the classification of pulmonary nodules based on image features of texture and margin sharpness. Computed tomography scans were obtained from a publicly available image database. Texture attributes were extracted from a co-occurrence matrix obtained from the nodule volume. Margin sharpness attributes were extracted from perpendicular lines drawn over the borders on all nodule slices. Feature selection was performed by different algorithms. Classification was performed by several machine learning classifiers and assessed by the area under the receiver operating characteristic curve, sensitivity, specificity, and accuracy. Highest classification performance was obtained by a random forest algorithm with all 48 extracted features. However, a decision tree using only two selected features obtained statistically equivalent performance on sensitivity and specificity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

Coronary artery analysis: Computer-assisted selection of best-quality segments in multiple-phase coronary CT angiography

Purpose: The authors are developing an automated method to identify the best-quality coronary arterial segment from multiple-phase coronary CT angiography (cCTA) acquisitions, which may be used by either interpreting physicians or computer-aided detection systems to optimally and efficiently utilize the diagnostic information available in multiple-phase cCTA for the detection of coronary artery disease. Methods: After initialization with a manually identified seed point, each coronary artery tree is automatically extracted from multiple cCTA phases using our multiscale coronary artery response enhancement and 3D rolling balloon region growing vessel segmentation and tracking method. The coronary artery trees from multiple phases are then aligned by a global registration using an affine transformation with quadratic terms and nonlinear simplex optimization, followed by a local registration using a cubic B-spline method with fast localized optimization. The corresponding coronary arteries among the available phases are identified using a recursive coronary segment matching method. Each of the identified vessel segments is transformed by the curved planar reformation (CPR) method. Four features are extracted from each corresponding segment as quality indicators in the original computed tomography volume and the straightened CPR volume, and each quality indicator is used as a voting classifier for the arterial segment. A weighted voting ensemble (WVE) classifier is designed to combine the votes of the four voting classifiers for each corresponding segment. The segment with the highest WVE vote is then selected as the best-quality segment. In this study, the training and test sets consisted of 6 and 20 cCTA cases, respectively, each with 6 phases, containing a total of 156 cCTA volumes and 312 coronary artery trees. An observer preference study was also conducted with one expert cardiothoracic radiologist and four nonradiologist readers to visually rank vessel segment quality. The performance of our automated method was evaluated by comparing the automatically identified best-quality segments identified by the computer to those selected by the observers. Results: For the 20 test cases, 254 groups of corresponding vessel segments were identified after multiple phase registration and recursive matching. The AI-BQ segments agreed with the radiologist’s top 2 ranked segments in 78.3% of the 254 groups (Cohen’s kappa 0.60), and with the 4 nonradiologist observers in 76.8%, 84.3%, 83.9%, and 85.8% of the 254 groups. In addition, 89.4% of the AI-BQ segments agreed with at least two observers’ top 2 rankings, and 96.5% agreed with at least one observer’s top 2 rankings. In comparison, agreement between the four observers’ top ranked segment and the radiologist’s top 2 ranked segments were 79.9%, 80.7%, 82.3%, and 76.8%, respectively, with kappa values ranging from 0.56 to 0.68. Conclusions: The performance of our automated method for selecting the best-quality coronary segments from a multiple-phase cCTA acquisition was comparable to the selection made by human observers. This study demonstrates the potential usefulness of the automated method in clinical practice, enabling interpreting physicians to fully utilize the best available information in cCTA for diagnosis of coronary disease, without requiring manual search through the multiple phases and minimizing the variability in image phase selection for evaluation of coronary artery segments across the diversity of human readers with variations in expertise.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS2024

A Multi‐Probe Automated Classification of Ice Crystal Habits During the IMPACTS Campaign

Although all ice crystals are unique, many can be grouped together by shape or habit, with members of a habit class sharing similar representations of properties such as fall velocity and growth rate. A decision tree algorithm designed to be adaptable to any particle imaging probe, thus enabling the creation of habit size distributions over a size range larger than that of any probe on its own, is used to classify ice crystals imaged by three airborne cloud probes in mid-latitude winter cyclones during the Investigation of Microphysics and Precipitation for Atlantic Coast-Threatening Snowstorms (IMPACTS) field campaign. Crystals are sorted into seven habit classes based on their morphological properties: sphere, column/needle, plate, graupel, dendrite, aggregate, and irregular. Although adaptability was its primary goal, the algorithm was found to be moderately skillful for identifying idealized habit images. Quantitative tests of the algorithm’s adaptability displayed mixed results, as Two-Dimensional Stereo Probe (2DS) classifications showed moderate correlation with Particle Habit Imaging and Polar Scattering Probe (PHIPS) classifications, but only weak correlation with High Volume Precipitation Spectrometer (HVPS) classifications. The algorithm was applied to random sets of images from each probe in a case study of a mesoscale snow band sampled on 7 February 2020. In the case study, qualitative analysis of particle images revealed general agreement on classifications among the probes, supporting the algorithm’s applicability to multiple cloud probes. Most classifications appeared correct upon manual inspection, suggesting that in practical use, the algorithm is reasonably able to classify non-idealized images.

Julian Schima↗