Feature Selection Clustering and Prototype Placement for Turbulence Data Sets.
Abstract not provided.
Barone, Matthew F.↗
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Building Morphologies of the USA Structures Database; a Gauntlet Feature Set
Building Morphology features and training labels for 131 million buildings in the USA Structures database.
Hauser, Taylor [ORNL] (ORCID:0000000250885236)↗
A Taxonomy and Feature set for Server-Side Identification of Proxies
Malicious actors frequently use proxies and VPNs to evade detection and hide their origin. Current challenges to information security include the use of residential proxies to blend in with normal traffic and Man-in-the-Middle phishing proxies that are used to compromise accounts protected with mult-factor authentication. We advance a taxonomy and feature set for the identification of proxied traffic based on the network layer where proxying occurs. We describe how these features apply to common proxy types and how to use these features in the classification of the proxied traffic. Collection of these additional features is feasible using existing network sensors and web servers, while only adding about 30% volume to commonly deployed network sensor logs.
97 MATHEMATICS AND COMPUTING↗
Building morphologies of the USA structures database; a gauntlet feature set
In recent years there has been a proliferation of methods and data to extract building footprints from satellite imagery. However there has been very little effort to provide additional insight about these buildings beyond their spatial location and shape. Features derived from their geometries can be used to better characterize these buildings which are critical for further research and development. In this work a set of 65 unique features for every building for more than 131 million buildings covering the US has been developed. This rich feature dataset will enable researchers, policymakers and various agencies to derive additional building characteristics like height, occupancy type, and help to gain valuable and new insights of the built environment.
Environmental sciences↗
Meta2DB: Curated Shotgun Metagenomic Feature Sets and Metadata for Health State Prediction
Meta2DB is a curated metagenomic and metadata database that provides structurally consistent microbiome taxonomy feature count tables for 13 897 samples across 84 studies, 23 disease states, and 34 geographical locations. All samples were uniformly processed using a streamlined metagenomic classification pipeline that employs a unique and comprehensive reference database indexed to contain all sequences across all kingdoms of life that were present in the NCBI Nucleotide (nt) database retrieved on 4 January 2023. This pipeline leverages high-performance computing (HPC) resources at Lawrence Livermore National Laboratory and was used to process 50TB of publicly available raw metagenomic sequence data. Extensive metadata curation was carried out through a combination of manual curation and automated parsing, producing a consistent inter-study metadata table specifically structured to facilitate training of ML models for prediction of human health.
Kok, C [Lawrence Livermore National Laboratory (LL↗
GATOR: Requirements capturing of telephony features
We are developing a natural language-based, requirements gathering system called GATOR (for the GATherer Of Requirements). GATOR assists in the development of more accurate and complete specifications of new telephony features. GATOR interacts with a feature designer who describes a new feature, set of features, or capability to be implemented. The system aids this individual in the specification process by asking for clarifications when potential ambiguities are present, by identifying potential conflicts with other existing features, and by presenting its understanding of the feature to the designer. Through user interaction with a model of the existing telephony feature set, GATOR constructs a formal representation of the new, 'to be implemented' feature. Ultimately GATOR will produce a requirements document and will maintain an internal representation of this feature to aid in future design and specification. This paper consists of three sections that describe (1) the structure of GATOR, (2) POND, GATOR's internal knowledge representation language, and (3) current research issues.
Dankel, Douglas D., II↗
Feature selection for neural networks using Parzen density estimator
A feature selection method for neural networks is proposed using the Parzen density estimator. A new feature set is selected using the decision boundary feature selection algorithm. The selected feature set is then used to train a neural network. Using a reduced feature set, an attempt is made to reduce the training time of the neural network and obtain a simpler neural network, which further reduces the classification time for test data.
Lee, Chulhee↗
SpaceVPX Interoperability Assessment
The existing VMEbus (VersaModular Eurocard bus) International Trade Association (VITA)-78 industry standard, also known as SpaceVPX, is an avionics board- and chassis-level standard derived from the OpenVPX standard as defined in VITA-65. While VITA-65 defines backplane and board-level profiles from COTS vendors to ensure interoperability of products used in developing systems and subsystems, the VITA-78 standard defines SpaceVPX to incorporate fault tolerance features that are required by many spaceflight systems. However, VITA-78 allows so much flexibility that interoperability between modules cannot be assured. This assessment provides guidelines on the use of, and extensions to, the VITA-78 standard to enable avionics interoperability for future NASA missions. The assessment team was comprised of subject matter experts (SMEs) from Goddard Space Flight Center (GSFC), the Jet Propulsion Laboratory (JPL), Johnson Space Center (JSC), and Langley Research Center (LaRC). The team included valuable external consulting support from a SME who was a key participant in the development of the VITA-78 standard. The team had extensive collaboration with the NASA Space Technology Mission Directorate (STMD) High Performance Spaceflight Computing (HPSC) project, specifically in the development of SpaceVPX interconnect findings, observations, and NESC recommendations. To provide an understanding of the breadth of implementations that SpaceVPX must accommodate, multiple NASA use cases were analyzed to assess the requirements for SpaceVPX implementations across a wide range of NASA missions (Appendix C). Applications included crewed missions, science missions, and orbital and surface robotic systems. Product surveys were conducted to assess the level of industry support for SpaceVPX, applications, and the variations in their implementations (Appendix D). In-depth analysis was conducted in the areas of: (a) power management and distribution, (b) form factors and daughtercards, (c) interconnect, and (d) fault tolerance. Leveraging the use cases, product surveys, and SMEs from multiple NASA Centers, these areas were analyzed to determine the range of implementations permitted by the VITA-78 standard and potential interoperability issues. Applicable findings and NESC recommendations were provided for each area. During this assessment, there were multiple opportunities to engage with other agencies to learn about their interest in SpaceVPX, their strategies for implementing SpaceVPX-based systems, and their internal development efforts. These engagements also generated findings and NESC recommendations. Based on this assessment analysis, NESC recommendations were made regarding the feature set and module profiles to support NASA SpaceVPX implementations. This feature set includes restrictions on features in VITA-78, and extensions to the standard. Key recommendations in this area include the use of 10 Gigabit Ethernet and Peripheral Component Interconnect Express (PCIe) as high bandwidth interconnect on the backplane, the retention of SpaceWire interconnect for control functions, and support for 3U (unit) and 6U, form factors for NASA systems. Restrictions were proposed on the usage of user-defined signals to promote interoperability, and specific power managements and distribution schemes for 3U systems. Beyond the technical implementation of SpaceVPX, recommendations were made on areas that warrant further investigation. Primary among these is the recommendation for NASA to collaborate with other space-going agencies and industry to incorporate recommendations into a future ‘dot spec’ of VITA-78. This would ensure wide adoption and availability of the modules that comply with the specification. The assessment includes appendices with candidate module profiles that can be considered as a starting point for this activity, and example systems based on the recommendations. Follow-on studies are recommended for architectures beyond SpaceVPX to address potential enhancements including condensed set of interconnect, software required to implement protocol layers on the interconnect (and other features), alternative power architectures, and system-level testability.
SpaceVPX↗
Application of ML/AI for Identifying Earth Science Datasets in Research Publications
NASA Data Active Archive Centers, or DAACs, ingest, store and distribute data acquired from satellites, ground systems as well as modelling data. These data are organized by the datasets, each presenting collection of files usually associated with the certain mission, instrument, processing level, parameter(s), algorithm and/or model. The number of datasets offered by a single DAAC to the public varies. GES DISC, for example, currently offers for public use approximately ~1,300 datasets. While each publicly offered dataset comes with supporting documentation, it is challenging for novice and even experienced scientists to navigate among the datasets that offer similar parameters to find the datasets for their particular research application. Supplying dataset documentation with the scientific paper citations that refer to that dataset provides means for the dataset users to educate themselves with the application research that dataset is being used in. Collecting citations of the papers that use the datasets for their research yield valuable insights into application areas of those datasets, information about usage of the dataset groups for specific applications and those application topics. It also gives insights into the “deep metrics” of the dataset usage, as opposed to the common metrics of the dataset usage such as number of users who downloaded the dataset files and volumes of downloaded data. Association of a certain scientific paper with the dataset(s) presents a challenge because most of the paper authors do not properly cite the datasets, datasets usually have cryptic names and Digital Object Identifiers (DOIs) that are used for dataset identification were assigned to the datasets only few years ago. Simple Google or online library search do not provide even meaningful fraction of the results when performed by the dataset name or DOI, however they provide too many results when the search is done by more broader terms such as mission and instrument names. Attempts to create an AI system capable to identify dataset in the scientific papers have already been made using neural networks classifiers on the basis of the dataset mission, instrument and variable name. This method was applied to NASA SEDAC, which has 41 datasets in total. In GES DISC there can be as many as ~100 datasets per mission/instrument with some of the datasets consisting of multiple variables so there is a need for more differentiating parameters for dataset identification in the paper. The approach we are currently investigating is creating AI classifiers that are based on multiple dataset features, or keywords, extracted from the NASA Earthdata Common Dataset Repository (CMR). The features are weighted based on how precisely they can identify a dataset. The classifier uses preprocessed paper text as input and searches for the CMR datasets whose feature sets are the closest to the feature sets contained in the paper. The challenges of dataset identification include variety of ways the paper authors describe the datasets in their papers and incomplete tagging of the CMR dataset description (DIFs).
Irina Gerasimov↗
A machine learning approach for determining temperature-dependent bandgap of metal oxides utilizing Allen–Heine–Cardona theory and O’Donnell model parameterization
To evaluate the high temperature sensing properties of metal oxide and perovskite materials suitable for use in combustion environments, it is necessary to understand the temperature dependence of their bandgaps. Although such temperature-driven changes can be calculated via the Allen–Heine–Cardona (AHC) theory, which assesses electron–phonon coupling for the bandgap correction at given temperatures, this approach is computationally demanding. Another approach to predict bandgap temperature-dependence is the O’Donnell model, which uses analytical expressions with multiple fitting parameters that require bandgap information at 0 K. This work employs data-driven Gaussian process regression (GPR) to predict the parameters employed in the O’Donnell model from a set of physical features. We use a sample of 54 metal oxides for which density functional theory has been performed to calculate the bandgap at 0 K, and the AHC calculations have been carried out to determine the shift in the bandgap at non-zero temperatures. As the AHC calculations are impractical for high-throughput screening of materials, the developed GPR model attempts to alleviate this issue by predicting the O'Donnell parameters purely from physical features. To mitigate the reliability issues arising from the very small size of the dataset, we apply a Bayesian technique to improve the generalizability of the data-driven models as well as quantify the uncertainty associated with the predictions. The method captures well the overall trend of the O’Donnell parameters with respect to a reduced feature set obtained by transforming the available physical features. Quantifying the associated uncertainty helps us understand the reliability of the predictions of the O’Donnell parameters and, therefore, the bandgap as a function of temperature for any novel material.
36 MATERIALS SCIENCE↗
High-Temperature Gas Sensor Materials with Properties Predicted via First-Principles Calculations with Machine Learning Modeling and Experimental Corroboration
Understanding the temperature dependence of functional properties of sensing materials is vital for their applications in combustion environments. The electron-phonon coupling that derives the electronic structure change with temperatures is a key property of interest as it affects other sensing responses. Herein, we first assess the temperature dependence of band gap renormalization in sensing materials by employing Allen-Heine-Cardona (AHC) theory with density functional theory (DFT) simulations corroborated with experimental observation. As the AHC calculations are impractical for high-throughput screening of materials, we employ data-driven Gaussian process regression to predict the parameters employed in the O’Donnell empirical model from a set of physical features. To mitigate the reliability issues arising from the small size of the dataset, we apply a Bayesian technique to improve the generalizability of the data-driven models as well as to quantify the uncertainty associated with theoretical predictions. These models capture well the overall trend of the O’Donnell parameters with respect to a reduced feature set obtained by transforming the available physical features. Quantifying the associated uncertainty helps us understand the reliability of the predictions and, therefore, the variation of bandgap as a function of temperature for other novel materials. The predicted candidates from machine learning models are further validated by experiments and DFT calculations.
bandgap renormalization↗
WinnowML: Stable feature selection for maximizing prediction accuracy of time-based system modeling
Online deep learning (ODL) has become an important methodology for modeling time-based performance of computer systems. An open problem is the intelligent selection of features from raw workload traces of computer systems. The best methods are overly sensitive to noisy data, causing frequent feature changes and re-training. Using all available features inflates training time and introduces model artifacts if some features should have been dropped. We present WinnowML, a method for automatically determining the most relevant feature subset for a predictive time-series model. WinnowML combines existing feature ranking algorithms and a history of each feature's ranking to iteratively rank a feature set to lower prediction error and maximize long term relevance. From this ranked feature set, the most relevant and stable subset is selected to train a model. Experimentally, we show how WinnowML can lower a model's mean absolute relative error up to 42% on average compared to the closest performing approach. Additionally, we lower the fluctuation in feature ranking and selection up to 65%. We also demonstrate how to combine WinnowML and a model search tool to provide improvements in performance of up to 14.5% when compared to using all the feature available.
Bel, Oceane MS↗
Transcriptomics-based Machine Learning Analysis Predicts Space-Exposed Murine Livers
Limited sample sizes, high data dimensionality, and sensitivity to technical and biological variability of next generation sequencing (NGS), typically limits machine learning (ML) approaches in spaceflight studies that include radiation effects. However, pooling smaller studies while addressing intra- and inter-study variabilities allows for ML predictive modeling. Here, integration methods were applied to whole transcriptome shotgun sequencing (RNA-seq) data from six mouse liver GeneLab datasets (GLDS) (n ranging from 6 to 39 samples) from with a total of 81 spaceflight and ground-control samples to determine top features (i.e. genes) relevant to spaceflight including the effect of radiation exposure. RNASeq counts were normalized for each study, then merged and scaled across all datasets. Data dimensionality was reduced using a minimum redundancy maximum relevance (MRMR) methodology. Redundancy and relevance were computed using the Pearson correlation and F-statistic, respectively. The top 100 MRMR features were used to predict spaceflight vs. ground-control samples using Random Forest (RF), Support Vector Machine (SVM), and Linear Discriminant Analysis (LDA) classifiers with 5-fold cross validation (CV). Principal component analysis (PCA) on the complete feature set versus the MRMR features shows separation between spaceflight samples and ground controls (Figure 1A). The ML-based gene sets were compared against differential gene expression results obtained with DESeq2 from individual GLDS. Using all features or randomly sampled subsets at matching set sizes with MRMR, a maximum classifier accuracy of 69% was shown on the test set over 5 folds. For all classifiers, CV training using at least the top 30 MRMR genes show minimum 89% accuracy and 0.95 AUC value on the test set over 5 folds (Figure 1B). Baseline set analysis on differentially expressed genes (DEGs) identified using padj ≤ 0.05 show 295 DEGs that overlap at least two studies and 13 DEGs that overlap three studies (Figure 1C). Set analysis between the top 100 MRMR features and the DEGs showed 47 genes that overlap at least one study and 24 genes that overlap two studies. Over-representation analysis showed overlapping biological processes related to fatty acid and lipid metabolism which may indicate these processes in the response to spaceflight stressors. MRMR feature selection for the selected ML methods improve performance relative to a classifier built on all features or randomly sampled subsets. Permutation feature importance within the decorrelated MRMR features showed concordance in feature ranking between ML methods. A challenge of applying ML methods across heterogeneous NGS data is accounting for signal:noise. Here, signal validation across studies was shown by intersecting sets between top MRMR genes and DEGs from DESeq2 analysis. Non-intersecting sets introduce opportunity to explore genes relevant to differentiating space flight exposed groups and implementing ML methods across existing NGS datasets may overcome sample size limitations.
Machine Learning↗
Transcriptomics-based Machine Learning (ML) Analysis Predicts Space-Exposed Murine Livers
Limited sample sizes, high data dimensionality, and sensitivity to technical and biological variability of next generation sequencing (NGS), typically limits machine learning (ML) approaches in spaceflight studies that include radiation effects. However, pooling smaller studies while addressing intra- and inter-study variabilities allows for ML predictive modeling. Here, integration methods were applied to whole transcriptome shotgun sequencing (RNA-seq) data from six mouse liver GeneLab datasets (GLDS) (n ranging from 6 to 39 samples) from with a total of 81 spaceflight and ground-control samples to determine top features (i.e. genes) relevant to spaceflight including the effect of radiation exposure. RNASeq counts were normalized for each study, then merged and scaled across all datasets. Data dimensionality was reduced using a minimum redundancy maximum relevance (MRMR) methodology. Redundancy and relevance were computed using the Pearson correlation and F-statistic, respectively. The top 100 MRMR features were used to predict spaceflight vs. ground-control samples using Random Forest (RF), Support Vector Machine (SVM), and Linear Discriminant Analysis (LDA) classifiers with 5-fold cross validation (CV). Principal component analysis (PCA) on the complete feature set versus the MRMR features shows separation between spaceflight samples and ground controls (Figure 1A). The ML-based gene sets were compared against differential gene expression results obtained with DESeq2 from individual GLDS. Using all features or randomly sampled subsets at matching set sizes with MRMR, a maximum classifier accuracy of 69% on the test set over 5 folds. For all classifiers, CV training using at least the top 30 MRMR genes show minimum 89% accuracy and 0.95 AUC value on the test set over 5 folds (Figure 1B). Baseline set analysis on differentially expressed genes (DEGs) identified using padj ≤ 0.05 show 295 DEGs that overlap at least two studies and 13 DEGs that overlap three studies (Figure 1C). Set analysis between the top 100 MRMR features and the DEGs showed 47 genes that overlap at least one study and 24 genes that overlap two studies. Over-representation analysis showed overlapping biological processes related to fatty acid and lipid metabolism which may indicate these processes in the response to spaceflight stressors. MRMR feature selection for the selected ML methods improve performance relative to a classifier built on all features or randomly sampled subsets. Permutation feature importance within the decorrelated MRMR features showed concordance in feature ranking between ML methods. A challenge of applying ML methods across heterogeneous NGS data is accounting for signal:noise. Here, signal validation across studies was shown by intersecting sets between top MRMR genes and DEGs from DESeq2 analysis. Non-intersecting sets introduce opportunity to explore genes relevant to differentiating space flight exposed groups and implementing ML methods across existing NGS datasets may overcome sample size limitations.
Machine Learning↗
Transcriptomics-based Machine Learning Analysis Predicts Space-Exposed Murine Livers
Limited sample sizes, high data dimensionality, and sensitivity to technical and biological variability of next generation sequencing (NGS), typically limits machine learning (ML) approaches in spaceflight studies that include radiation effects. However, pooling smaller studies while addressing intra- and inter-study variabilities allows for ML predictive modeling. Here, integration methods were applied to whole transcriptome shotgun sequencing (RNA-seq) data from six mouse liver GeneLab datasets (GLDS) (n ranging from 6 to 39 samples) from with a total of 81 spaceflight and ground-control samples to determine top features (i.e. genes) relevant to spaceflight including the effect of radiation exposure. RNASeq counts were normalized for each study, then merged and scaled across all datasets. Data dimensionality was reduced using a minimum redundancy maximum relevance (MRMR) methodology. Redundancy and relevance were computed using the Pearson correlation and F-statistic, respectively. The top 100 MRMR features were used to predict spaceflight vs. ground-control samples using Random Forest (RF), Support Vector Machine (SVM), and Linear Discriminant Analysis (LDA) classifiers with 5-fold cross validation (CV). Principal component analysis (PCA) on the complete feature set versus the MRMR features shows separation between spaceflight samples and ground controls (Figure 1A). The ML-based gene sets were compared against differential gene expression results obtained with DESeq2 from individual GLDS. Using all features or randomly sampled subsets at matching set sizes with MRMR, a maximum classifier accuracy of 69% was shown on the test set over 5 folds. For all classifiers, CV training using at least the top 30 MRMR genes show minimum 89% accuracy and 0.95 AUC value on the test set over 5 folds (Figure 1B). Baseline set analysis on differentially expressed genes (DEGs) identified using padj ≤ 0.05 show 295 DEGs that overlap at least two studies and 13 DEGs that overlap three studies (Figure 1C). Set analysis between the top 100 MRMR features and the DEGs showed 47 genes that overlap at least one study and 24 genes that overlap two studies. Over-representation analysis showed overlapping biological processes related to fatty acid and lipid metabolism which may indicate these processes in the response to spaceflight stressors. MRMR feature selection for the selected ML methods improve performance relative to a classifier built on all features or randomly sampled subsets. Permutation feature importance within the decorrelated MRMR features showed concordance in feature ranking between ML methods. A challenge of applying ML methods across heterogeneous NGS data is accounting for signal:noise. Here, signal validation across studies was shown by intersecting sets between top MRMR genes and DEGs from DESeq2 analysis. Non-intersecting sets introduce opportunity to explore genes relevant to differentiating space flight exposed groups and implementing ML methods across existing NGS datasets may overcome sample size limitations.
Machine Learning↗
Independent malware detection architecture
A system and method (referred to as the system) detect malware by training a rule-based model, a functional based model, and a deep learning-based model from a memory snapshot of a malware free operating state of a monitored device. The system extracts a feature set from a second memory snapshot captured from an operating state of the monitored device and processes the feature set by the rule-based model, the functional-based model, and the deep learning-based model. The system identifies identifying instances of malware on the monitored device without processing data identifying an operating system of the monitored device, data associated with a prior identification of the malware, data identifying a source of the malware, data identifying a location of the malware on the monitored device, or any operating system specific data contained within the monitored device.
Smith, Jared M.↗
A reproducible study design for the MIMIC-IV in-hospital mortality task
Open, tabular electronic health record (EHR) datasets such as MIMIC-III and MIMIC-IV have become critical resources for developing machine learning (ML) models addressing clinical prediction tasks, including hospital readmission, length of stay, and in-hospital mortality (IHM). While MIMIC-III has benefited from well-established preprocessing pipelines and standardized feature sets, MIMIC-IV remains comparatively challenging to work with because there are no standardized benchmarks to support reproducibility and comparability across studies. To address this limitation, we present a rigorously curated MIMIC-IV custom feature set optimized for IHM prediction, constructed through a reproducible preprocessing pipeline and feature selection strategy.
97 MATHEMATICS AND COMPUTING↗