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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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NASA NTRS1991

Decision boundary feature selection for non-parametric classifier

Feature selection has been one of the most important topics in pattern recognition. Although many authors have studied feature selection for parametric classifiers, few algorithms are available for feature selection for nonparametric classifiers. In this paper we propose a new feature selection algorithm based on decision boundaries for nonparametric classifiers. We first note that feature selection for pattern recognition is equivalent to retaining 'discriminantly informative features', and a discriminantly informative feature is related to the decision boundary. A procedure to extract discriminantly informative features based on a decision boundary for nonparametric classification is proposed. Experiments show that the proposed algorithm finds effective features for the nonparametric classifier with Parzen density estimation.

Lee, Chulhee↗
NASA NTRS1993

Decision Boundary Feature Extraction for Nonparametric Classification

Feature extraction has long been an important topic in pattern recognition. Although many authors have studied feature extraction for parametric classifiers, relatively few feature extraction algorithms are available for nonparametric classifiers. A new feature extraction algorithm based on decision boundaries for nonparametric classifiers is proposed. It is noted that feature extraction for pattern recognition is equivalent to retaining 'discriminantly informative features' and a discriminantly informative feature is related to the decision boundary. Since nonparametric classifiers do not define decision boundaries in analytic form, the decision boundary and normal vectors must be estimated numerically. A procedure to extract discriminantly informative features based on a decision boundary for non-parametric classification is proposed. Experiments show that the proposed algorithm finds effective features for the nonparametric classifier with Parzen density estimation.

Lee, Chulhee↗
DOE OSTI2023

Improving materials property predictions for graph neural networks with minimal feature engineering *

Graph neural networks (GNNs) have been employed in materials research to predict physical and functional properties, and have achieved superior performance in several application domains over prior machine learning approaches. Recent studies incorporate features of increasing complexity such as Gaussian radial functions, plane wave functions, and angular terms to augment the neural network models, with the expectation that these features are critical for achieving a high performance. Here, we propose a GNN that adopts edge convolution where hidden edge features evolve during training and extensive attention mechanisms, and operates on simple graphs with atoms as nodes and distances between them as edges. As a result, the same model can be used for very different tasks as no other domain-specific features are used. With a model that uses no feature engineering, we achieve performance comparable with state-of-the-art models with elaborate features for formation energy and band gap prediction with standard benchmarks; we achieve even better performance when the dataset size increases. Although some domain-specific datasets still require hand-crafted features to achieve state-of-the-art results, our selected architecture choices greatly reduce the need for elaborate feature engineering and still maintain predictive power in comparison.

42 ENGINEERING↗
DOE OSTI2021

Feature selection and causal analysis for microbiome studies in the presence of confounding using standardization

Abstract Background Microbiome studies have uncovered associations between microbes and human, animal, and plant health outcomes. This has led to an interest in developing microbial interventions for treatment of disease and optimization of crop yields which requires identification of microbiome features that impact the outcome in the population of interest. That task is challenging because of the high dimensionality of microbiome data and the confounding that results from the complex and dynamic interactions among host, environment, and microbiome. In the presence of such confounding, variable selection and estimation procedures may have unsatisfactory performance in identifying microbial features with an effect on the outcome. Results In this manuscript, we aim to estimate population-level effects of individual microbiome features while controlling for confounding by a categorical variable. Due to the high dimensionality and confounding-induced correlation between features, we propose feature screening, selection, and estimation conditional on each stratum of the confounder followed by a standardization approach to estimation of population-level effects of individual features. Comprehensive simulation studies demonstrate the advantages of our approach in recovering relevant features. Utilizing a potential-outcomes framework, we outline assumptions required to ascribe causal, rather than associational, interpretations to the identified microbiome effects. We conducted an agricultural study of the rhizosphere microbiome of sorghum in which nitrogen fertilizer application is a confounding variable. In this study, the proposed approach identified microbial taxa that are consistent with biological understanding of potential plant-microbe interactions. Conclusions Standardization enables more accurate identification of individual microbiome features with an effect on the outcome of interest compared to other variable selection and estimation procedures when there is confounding by a categorical variable.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Mapathons versus automated feature extraction: a comparative analysis for strengthening immunization microplanning

Background: Social instability and logistical factors like the displacement of vulnerable populations, the difficulty of accessing these populations, and the lack of geographic information for hard-to-reach areas continue to serve as barriers to global essential immunizations (EI). Microplanning, a population-based, healthcare intervention planning method has begun to leverage geographic information system (GIS) technology and geospatial methods to improve the remote identification and mapping of vulnerable populations to ensure inclusion in outreach and immunization services, when feasible. We compare two methods of accomplishing a remote inventory of building locations to assess their accuracy and similarity to currently employed microplan line-lists in the study area. Methods: The outputs of a crowd-sourced digitization effort, or mapathon, were compared to those of a machine-learning algorithm for digitization, referred to as automatic feature extraction (AFE). The following accuracy assessments were employed to determine the performance of each feature generation method: (1) an agreement analysis of the two methods assessed the occurrence of matches across the two outputs, where agreements were labeled as “befriended” and disagreements as “lonely”; (2) true and false positive percentages of each method were calculated in comparison to satellite imagery; (3) counts of features generated from both the mapathon and AFE were statistically compared to the number of features listed in the microplan line-list for the study area; and (4) population estimates for both feature generation method were determined for every structure identified assuming a total of three households per compound, with each household averaging two adults and 5 children. Results: The mapathon and AFE outputs detected 92,713 and 53,150 features, respectively. A higher proportion (30%) of AFE features were befriended compared with befriended mapathon points (28%). The AFE had a higher true positive rate (90.5%) of identifying structures than the mapathon (84.5%). The difference in the average number of features identified per area between the microplan and mapathon points was larger (t = 3.56) than the microplan and AFE (t = -2.09) (alpha = 0.05). Conclusions: Our findings indicate AFE outputs had higher agreement (i.e., befriended), slightly higher likelihood of correctly identifying a structure, and were more similar to the local microplan line-lists than the mapathon outputs. These findings suggest AFE may be more accurate for identifying structures in high-resolution satellite imagery than mapathons. However, they both had their advantages and the ideal method would utilize both methods in tandem.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Better understanding and prediction of antiviral peptides through primary and secondary structure feature importance

The emergence of viral epidemics throughout the world is of concern due to the scarcity of available effective antiviral therapeutics. The discovery of new antiviral therapies is imperative to address this challenge, and antiviral peptides (AVPs) represent a valuable resource for the development of novel therapies to combat viral infection. We present a new machine learning model to distinguish AVPs from non-AVPs using the most informative features derived from the physicochemical and structural properties of their amino acid sequences. To focus on those features that are most likely to contribute to antiviral performance, we filter potential features based on their importance for classification. These feature selection analyses suggest that secondary structure is the most important peptide sequence feature for predicting AVPs. Our Feature-Informed Reduced Machine Learning for Antiviral Peptide Prediction (FIRM-AVP) approach achieves a higher accuracy than either the model with all features or current state-of-the-art single classifiers. Understanding the features that are associated with AVP activity is a core need to identify and design new AVPs in novel systems. The FIRM-AVP code and standalone software package are available at https://github.com/pmartR/FIRM-AVP with an accompanying web application at https://msc-viz.emsl.pnnl.gov/AVPR.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

The structural information filtered features (SIFF) potential: Maximizing information stored in machine-learning descriptors for materials prediction

Machine learning inspired potentials continue to improve the ability for predicting structures of materials. However, many challenges still exist, particularly when calculating structures of disordered systems. These challenges are primarily due to the rapidly increasing dimensionality of the feature-vector space which in most machine-learning algorithms is dependent on the size of the structure. In this article, we present a feature-engineered approach that establishes a set of principles for representing potentials of physical structures (crystals, molecules, and clusters) in a feature space rather than a physically motivated space. Our goal in this work is to define guiding principles that optimize information storage of the physical parameters within the feature representations. In this manner, we focus on keeping the dimensionality of the feature space independent of the number of atoms in the structure. Our Structural Information Filtered Features (SIFF) potential represents structures by utilizing a feature vector of low-correlated descriptors, which correspondingly maximizes information within the descriptor. We present results of our SIFF potential on datasets composed of disordered (carbon and carbon–oxygen) clusters, molecules with C 7 O 2 H 2 stoichiometry in the GDB9-14B dataset, and crystal structures of the form (Al x Ga y In z ) 2 O 3 as proposed in the NOMAD Kaggle competition. Our potential's performance is at least comparable, sometimes significantly more accurate, and often more efficient than other well-known machine-learning potentials for structure prediction. However, primarily, we offer a different perspective on how researchers should consider opportunities in maximizing information storage for features.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ASDFL: An adaptive super‐pixel discriminative feature‐selective learning for vehicle matching

Abstract There are a large number of cameras in modern transportation system that capture numerous vehicle images continuously. Therefore, automatic analysis of these vehicle images is helpful for traffic flow management, criminal investigations and vehicle inspections. Vehicle matching, which aims to determine whether two input images depict an identical vehicle, is one of the core tasks in vehicle analysis. Recent relevant studies have focused on local feature extraction instead of global extraction, since local details can provide crucial cues to distinguish between cars. However, these methods do not select local features; that is, they do not assign weights to local features. Therefore, in this research, we systematically study the vehicle matching task, and present a novel annotation‐free local‐based deep learning method called Adaptive super‐pixel discriminative feature‐selective learning (ASDFL) to address this issue. In ASDFL, vehicle images are segmented into clusters of super‐pixels of similar size by considering the location and colour similarities of pixels without using any component‐level annotation. These super‐pixels are deemed to be the virtual components of vehicles. Moreover, a convolutional neural network is used to extract the deep features of these virtual components. Thereafter, an instance‐specific mask generation module driven by the extracted global features is enhanced to produce a mask to select the most distinctive virtual components of each vehicle image pair in the feature space. Finally, the vehicle matching task is accomplished by classifying the selected virtual component features of each imaged vehicle pair. Extensive experiments on two popular vehicle identification benchmarks demonstrate that our method is 1.57% and 0.8% more accurate than the previous baselines in a vehicle matching task on the VeRi and VehicleID datasets, respectively, which demonstrates the effectiveness of our method.

Qin, Rong↗
DOE OSTI2020

Safety Functions and Features, Events and Processes for the E-Area Performance Assessment

The DOE Technical Standard, “Disposal Authorization Statement and Tank Closure Documentation,” (DOE 2017) recommends the use of safety functions and features, events and processes (FEPs) to support development of conceptual models and identification of scenarios to be considered in a performance assessment (PA). The FEP process provides a means to describe how a PA considers and addresses the factors that could influence the performance of key barriers. Understanding the roles of barriers in terms of limiting migration helps to focus on how changes in the system could lead to a situation where those roles cannot be fulfilled and there is the potential for compromised performance. The FEPs screening and review process was used to identify FEPs that are relevant for the EArea Low-Level Waste Facility (LLWF) and specifically those FEPs that could have a detrimental impact on the effectiveness of a given safety function. For this PA, a default list of FEPs developed at the International Atomic Energy Agency (IAEA 2004) and an approach implemented for PAs at the Hanford and Idaho sites (Mehta et al. 2016, DOE-ID 2019) are used to identify processes and events that could influence the effectiveness of a given safety function for the E-Area LLWF (e.g., subsidence can impact the safety function of the cover system and lead to increased infiltration). The Hanford and Idaho PAs represent two of the most recent applications of this approach. The PA evaluates the potential impacts of changes in performance of different features of the system and demonstrates that the safety functions represent multiple and redundant barriers. Barrier analyses, assuming a safety function is not present, also test the robustness of the system in the event of the loss of one or more safety functions. Such evaluations also support a qualitative illustration of the concept of defense in depth. The safety concept for closure of the E-Area LLWF (generically referred to as “E-Area”) encompasses a variety of different features (i.e., administrative controls, natural site features, and engineered barriers) that reduce the potential impacts on human health and the environment from the residual waste that will remain after closure. These features can be represented as a collection of safety functions acting independently and as a system to provide for overall safety. In some applications, there have been attempts to assign numerical expectations to specific safety functions, but that is not the intent in this case. The concept of safety functions is used more qualitatively in two ways for this PA: 1. To illustrate the robustness of the E-Area design, operational practices and closure approach by documenting features that are and are not credited in different modeling cases. 2. To identify the roles of the different features and potential processes and events that could compromise the performance of safety features and need to be considered when developing the modeling approach. This report addresses both safety functions and FEPs for the E-Area PA.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Feature Extraction: Improving Remote Sensor Classification of Non-Proliferation

This research focuses on developing algorithms for nuclear non-proliferation detection using remote sensor modeling. To improve the performance of classification models, we implemented a data pipeline with feature extraction. This pipeline takes raw data and transforms it into smaller data points called features that still describe the model. Improving this classification works towards the departments of energy’s missions of ensuring American’s security and prosperity by creating technology that addresses nuclear challenges. To conduct this analysis, we used the Python programming language and some key packages, including tsfresh and TSFEL. Originally tsfresh was selected because it has the most statistical features out of all the packages. Later TSFEL was incorporated due to the additional features it can extract from data, such as temporal and spectral. However, feature extraction becomes challenging in the presence of missing values. In this case, two additional Python packages were added to our workflow, NumPy and pandas, allowing for the feature extraction process to handle unknown values. Our data pipeline was tested on data collected from a simulation that describes the process state of a physical example. The results show the pipeline’s capability to consume and extract a total 17 features from tabular data. Future work includes producing classifications using decision tree-based models such as XGBoost and improving data collection by analyzing feature importance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

TempestExtremes v2.1: a community framework for feature detection, tracking, and analysis in large datasets

TempestExtremes (TE) is a multifaceted framework for feature detection, tracking, and scientific analysis of regional or global Earth system datasets on either rectilinear or unstructured/native grids. Version 2.1 of the TE framework now provides extensive support for examining both nodal (i.e., pointwise) and areal features, including tropical and extratropical cyclones, monsoonal lows and depressions, atmospheric rivers, atmospheric blocking, precipitation clusters, and heat waves. Available operations include nodal and areal thresholding, calculations of quantities related to nodal features such as accumulated cyclone energy and azimuthal wind profiles, filtering data based on the characteristics of nodal features, and stereographic compositing. This paper describes the core algorithms (kernels) that have been added to the TE framework since version 1.0, including algorithms for editing pointwise trajectory files, composition of fields around nodal features, generation of areal masks via thresholding and nodal features, and tracking of areal features in time. Several examples are provided of how these kernels can be combined to produce composite algorithms for evaluating and understanding common atmospheric features and their underlying processes. These examples include analyzing the fraction of precipitation from tropical cyclones, compositing meteorological fields around extratropical cyclones, calculating fractional contribution to poleward vapor transport from atmospheric rivers, and building a climatology of atmospheric blocks.

58 GEOSCIENCES↗
NASA NTRS1984

The mysterious 10 micron emission feature in the spectrum of Nova Aquilae 1982

Broad-band 1.2-23 micron photometry and 1 percent resolution 7-14 micron spectrophotometry of Nova Aql 1982 are presented. This nova developed similarly to other dusty novae in that the appearance of thermal infrared emission from a circumstellar dust shell was coincident with a downward transition at visual wavelengths. A strong 10 micron emission feature appeared in the spectrum of Nova Aql 1982 during the dust shell development phase. This feature was not entirely similar to emission features previously observed in other stars with circumstellar shells. The contrast of the nova's 10 micron feature was larger than those observed in the SiC-rich shells of carbon stars. On the other hand, although the nova emission feature was reminiscent of the 10 micron silicate emission feature observed in oxygen-rich supergiants, it peaked at a slightly longer wavelength and there was no corresponding 20 micron emission feature. The contrast of the feature increased with time. It is concluded that an anomalous dust grain component, tentatively identified as SiC, nucleated and grew in the circumstellar shell of Nova Aql 1982.

Ney, E. P.↗
NASA NTRS1988

Possible identifications of the 3.4 micrometer feature

A feature at 3.4 micrometer was first detected in Comet Halley by the IKS spectrometer on board the Vega 1 probe; and subsequently from the ground. The feature has since been reported in Comet Wilson. The presence of the feature is of considerable interest for a number of reasons. First, it may represent the detection of a new parent molecule, and when combined with data from Giotto and Vega yield new information on cometary chemistry and the early solar system composition. Secondly, it may represent a link to the interstellar medium, the feature corresponds in wavelength and shape with an interstellar feature seen in absorption in a luminous star, towards the Galactic center known as GC-IRS7. The feature in turn is thought to be related with a growing family of unidentified infrared emission features seen in stellar objects, planetary nebulae, reflection nebulae, HII regions and extra galactic sources. These features occur at wavelengths 3.3, 3.4, 3.5, 6.2, 7.7, 8.6, and 11.25 micrometers. Further identification theory is given.

Danks, Anthony C.↗
NASA NTRS1989

Using infrared spectral features to probe circumstellar dust shells around cool stars

IRAS observations of cool stars provide low resolution spectra in the mid-infrared and also give fluxes at four wavelength bands from which color-color diagrams are constructed. The later have been used to study the evolution of these stars: as an O-rich star evolves to become a C-rich star and its detached dust shell moves further away, its evolution can be tracked on a color-color diagram. A major factor in determining the position of either C-rich or O-rich stars on the 12-25-60 micron color-color diagram is the presence of spectral features in the mid-IR. O-rich stars show a 9.8 micron silicate feature, while C-rich stars have a SiC feature at 11.2 microns. IRAS observations indicate that the SiC feature is quite narrow and uniform in shape showing little variation from star to star. The full width at half maximum (FWHM) is 1.6 + or - 0.15 microns. On the other hand, the shape of the silicate feature varies widely among the O-rich stars, with a FWHM ranging from 2 to 3 microns. The characteristics of circumstellar dust shells should manifest themselves both in the flux spectrum and in the details of the spectral features. To provide a coherent interpretation for these IRAS observations, models were constructed (using a radiative transfer code) of dust shells around O-rich and C-rich stars. Realistic grain opacities were used which include spectral features of varying intrinsic widths (e.g., Gaussian features at 10 microns with half width at half maximum of 0.5 and 1.0 microns).

Egan, Michael P.↗
NASA NTRS1998

Mineralization of Bacteria in Terrestrial Basaltic Rocks: Comparison With Possible Biogenic Features in Martian Meteorite Allan Hills 84001

The identification of biogenic features altered by diagenesis or mineralization is important in determining whether specific features in terrestrial rocks and in meteorites may have a biogenic origin. Unfortunately, few studies have addressed the formation of biogenic features in igneous rocks, which may be important to these phenomena, including the controversy over possible biogenic features in basaltic martian meteorite ALH84001. To explore the presence of biogenic features in igneous rocks, we examined microcosms growing in basaltic small-scale experimental growth chambers or microcosms. Microbial communities were harvested from aquifers of the Columbia River Basalt (CRB) group and grown in a microcosm containing unweathered basalt chips and groundwater (technique described in. These microcosms simulated natural growth conditions in the deep subsurface of the CRB, which should be a good terrestrial analog for any putative martian subsurface ecosystem that may have once included ALH84001. Here we present new size measurements and photomicrographs comparing the putative martian fossils to biogenic material in the CRB microcosms. The range of size and shapes of the biogenic features on the CRB microcosm chips overlaps with and is similar to those on ALH84001 chips. Although this present work does not provide evidence for the biogenicity of ALH84001 features, we believe that, based on criteria of size, shape, and general morphology, a biogenic interpretation for the ALH84001 features remains plausible.

Thomas-Keprta, K. L.↗
NASA NTRS1999

Windblown Features on Venus and Geological Mapping

The objectives of this study were to: 1) develop a global data base of aeolian features by searching Magellan coverage for possible time-variable wind streaks, 2) analyze the data base to characterize aeolian features and processes on Venus, 3) apply the analysis to assessments of wind patterns near the surface and for comparisons with atmospheric circulation models, 4) analyze shuttle radar data acquired for aeolian features on Earth to determine their radar characteristics, and 5) conduct geological mapping of two quadrangles. Wind, or aeolian, features are observed on Venus and aeolian processes play a role in modifying its surface. Analysis of features resulting from aeolian processes provides insight into characteristics of both the atmosphere and the surface. Wind related features identified on Venus include erosional landforms (yardangs), depositional dune fields, and features resulting from the interaction of the atmosphere and crater ejecta at the time of impact. The most abundant aeolian features are various wind streaks. Their discovery on Venus afforded the opportunity to learn about the interaction of the atmosphere and surface, both for the identification of sediments and in mapping near-surface winds.

Greeley, Ronald↗
NASA NTRS2005

Automated Image Registration Using Morphological Region of Interest Feature Extraction

With the recent explosion in the amount of remotely sensed imagery and the corresponding interest in temporal change detection and modeling, image registration has become increasingly important as a necessary first step in the integration of multi-temporal and multi-sensor data for applications such as the analysis of seasonal and annual global climate changes, as well as land use/cover changes. The task of image registration can be divided into two major components: (1) the extraction of control points or features from images; and (2) the search among the extracted features for the matching pairs that represent the same feature in the images to be matched. Manual control feature extraction can be subjective and extremely time consuming, and often results in few usable points. Automated feature extraction is a solution to this problem, where desired target features are invariant, and represent evenly distributed landmarks such as edges, corners and line intersections. In this paper, we develop a novel automated registration approach based on the following steps. First, a mathematical morphology (MM)-based method is used to obtain a scale-orientation morphological profile at each image pixel. Next, a spectral dissimilarity metric such as the spectral information divergence is applied for automated extraction of landmark chips, followed by an initial approximate matching. This initial condition is then refined using a hierarchical robust feature matching (RFM) procedure. Experimental results reveal that the proposed registration technique offers a robust solution in the presence of seasonal changes and other interfering factors. Keywords-Automated image registration, multi-temporal imagery, mathematical morphology, robust feature matching.

Plaza, Antonio↗
NASA NTRS2010

Real-Time Feature Tracking Using Homography

This software finds feature point correspondences in sequences of images. It is designed for feature matching in aerial imagery. Feature matching is a fundamental step in a number of important image processing operations: calibrating the cameras in a camera array, stabilizing images in aerial movies, geo-registration of images, and generating high-fidelity surface maps from aerial movies. The method uses a Shi-Tomasi corner detector and normalized cross-correlation. This process is likely to result in the production of some mismatches. The feature set is cleaned up using the assumption that there is a large planar patch visible in both images. At high altitude, this assumption is often reasonable. A mathematical transformation, called an homography, is developed that allows us to predict the position in image 2 of any point on the plane in image 1. Any feature pair that is inconsistent with the homography is thrown out. The output of the process is a set of feature pairs, and the homography. The algorithms in this innovation are well known, but the new implementation improves the process in several ways. It runs in real-time at 2 Hz on 64-megapixel imagery. The new Shi-Tomasi corner detector tries to produce the requested number of features by automatically adjusting the minimum distance between found features. The homography-finding code now uses an implementation of the RANSAC algorithm that adjusts the number of iterations automatically to achieve a pre-set probability of missing a set of inliers. The new interface allows the caller to pass in a set of predetermined points in one of the images. This allows the ability to track the same set of points through multiple frames.

Clouse, Daniel S.↗