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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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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Mining and Validating Social Media Data for COVID-19–Related Human Behaviors Between January and July 2020: Infodemiology Study

Background: Health authorities can minimize the impact of an emergent infectious disease outbreak through effective and timely risk communication, which can build trust and adherence to subsequent behavioral messaging. Monitoring the psychological impacts of an outbreak, as well as public adherence to such messaging, is also important for minimizing long-term effects of an outbreak. Objective: We used social media data from Twitter to identify human behaviors relevant to COVID-19 transmission, as well as the perceived impacts of COVID-19 on individuals, as a first step toward real-time monitoring of public perceptions to inform public health communications. Methods: We developed a coding schema for 6 categories and 11 subcategories, which included both a wide number of behaviors as well codes focused on the impacts of the pandemic (eg, economic and mental health impacts). We used this to develop training data and develop supervised learning classifiers for classes with sufficient labels. Classifiers that performed adequately were applied to our remaining corpus, and temporal and geospatial trends were assessed. We compared the classified patterns to ground truth mobility data and actual COVID-19 confirmed cases to assess the signal achieved here. Results: We applied our labeling schema to approximately 7200 tweets. The worst-performing classifiers had F1 scores of only 0.18 to 0.28 when trying to identify tweets about monitoring symptoms and testing. Classifiers about social distancing, however, were much stronger, with F1 scores of 0.64 to 0.66. We applied the social distancing classifiers to over 228 million tweets. We showed temporal patterns consistent with real-world events, and we showed correlations of up to –0.5 between social distancing signals on Twitter and ground truth mobility throughout the United States. Conclusions: Behaviors discussed on Twitter are exceptionally varied. Twitter can provide useful information for parameterizing models that incorporate human behavior, as well as for informing public health communication strategies by describing awareness of and compliance with suggested behaviors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Assessment of Local Observation of Atomic Ordering in Alloys via the Radial Distribution Function: A Computational and Experimental Approach

As a powerful analytical technique, atom probe tomography (APT) has the capacity to acquire the spatial distribution of millions of atoms from a complex sample. However, extracting information at the Ångstrom-scale on atomic ordering remains a challenge due to the limits of the APT experiment and data analysis algorithms. The development of new computational tools enable visualization of the data and aid understanding of the physical phenomena such as disorder of complex crystalline structures. Here, we report progress towards this goal using two steps. We describe a computational approach to evaluate atomic ordering in the crystal structure by generating radial distribution functions (RDF). Atomic ordering is rendered as the Fractional Cumulative Radial Distribution Function (FCRDF) which allows for greater visibility of local compositions at short range in the structure. Further, we accommodate in the analysis additional parameters such as uncertainty in the atomic coordinates and the atomic abundance to ascertain short-range ordering in APT data sets. We applied the FCRDF analysis to synthetic and experimental APT data sets for Ni 3 Al. The ability to observe a signal of atomic ordering consistent with the known L1 2 crystal structure is heavily dependent on spatial uncertainty, irrespective of abundance. Detection of atomic ordering is subject to an upper limit of spatial uncertainty of atoms described with Gaussian distributions with a standard deviation of 1.3 Å. The FCRDF analysis was also applied to the APT data set for a six-component alloy, Al 1.3 CoCrCuFeNi. In this case, we are currently able to visualize elemental segregation at the nanoscale, though unambiguous identification of atomic ordering at the Ångstrom (nearest-neighbor) scale remains a goal.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Models and Processes to Extract Drug-like Molecules From Natural Language Text

Researchers worldwide are seeking to repurpose existing drugs or discover new drugs to counter the disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). A promising source of candidates for such studies is molecules that have been reported in the scientific literature to be drug-like in the context of viral research. However, this literature is too large for human review and features unusual vocabularies for which existing named entity recognition (NER) models are ineffective. We report here on a project that leverages both human and artificial intelligence to detect references to such molecules in free text. We present 1) a iterative model-in-the-loop method that makes judicious use of scarce human expertise in generating training data for a NER model, and 2) the application and evaluation of this method to the problem of identifying drug-like molecules in the COVID-19 Open Research Dataset Challenge (CORD-19) corpus of 198,875 papers. We show that by repeatedly presenting human labelers only with samples for which an evolving NER model is uncertain, our human-machine hybrid pipeline requires only modest amounts of non-expert human labeling time (tens of hours to label 1778 samples) to generate an NER model with an F-1 score of 80.5%—on par with that of non-expert humans—and when applied to CORD’19, identifies 10,912 putative drug-like molecules. This enriched the computational screening team’s targets by 3,591 molecules, of which 18 ranked in the top 0.1% of all 6.6 million molecules screened for docking against the 3CLPro protein.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A Model Tree Generator (MTG) Framework for Simulating Hydrologic Systems: Application to Reservoir Routing

Data-driven algorithms have been widely used as effective tools to mimic hydrologic systems. Unlike black-box models, decision tree algorithms offer transparent representations of systems and reveal useful information about the underlying process. A popular class of decision tree models is model tree (MT), which is designed for predicting continuous variables. Most MT algorithms employ an exhaustive search mechanism and a pre-defined splitting criterion to generate a piecewise linear model. However, this approach is computationally intensive, and the selection of the splitting criterion can significantly affect the performance of the generated model. These drawbacks can limit the application of MTs to large datasets. To overcome these shortcomings, a new flexible Model Tree Generator (MTG) framework is introduced here. MTG is equipped with several modules to provide a flexible, efficient, and effective tool for generating MTs. The application of the algorithm is demonstrated through simulation of controlled discharge from several reservoirs across the Contiguous United States (CONUS).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Eco-PiNN: A Physics-informed Neural Network for Eco-toll Estimation

The eco-toll estimation problem quantifies the expected environmental cost (e.g., energy consumption, exhaust emissions) for a vehicle to travel along a path. This problem is important for societal applications such as eco-routing, which aims to find paths with the lowest exhaust emissions or energy need. The challenges of this problem are threefold: (1) the dependence of a vehicle's eco-toll on its physical parameters; (2) the lack of access to data with eco-toll information; and (3) the influence of contextual information (i.e. the connections of adjacent segments in the path) on the eco-toll of road segments. Prior work on eco-toll estimation has mostly relied on pure data-driven approaches and has high estimation errors given the limited training data. To address these limitations, we propose a novel Eco-toll estimation Physics-informed Neural Network framework (Eco-PiNN) using three novel ideas, namely, (1) a physics-informed decoder that integrates the physical laws governing vehicle dynamics into the network, (2) an attention-based contextual information encoder, and (3) a physics-informed regularization to reduce overfitting. Experiments on real-world heavy-duty truck data show that the proposed method can greatly improve the accuracy of eco-toll estimation compared with state-of-the-art methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Integrating chromatin conformation information in a self-supervised learning model improves metagenome binning

Metagenome binning is a key step, downstream of metagenome assembly, to group scaffolds by their genome of origin. Although accurate binning has been achieved on datasets containing multiple samples from the same community, the completeness of binning is often low in datasets with a small number of samples due to a lack of robust species co-abundance information. In this study, we exploited the chromatin conformation information obtained from Hi-C sequencing and developed a new reference-independent algorithm, Metagenome Binning with Abundance and Tetra-nucleotide frequencies—Long Range (metaBAT-LR), to improve the binning completeness of these datasets. This self-supervised algorithm builds a model from a set of high-quality genome bins to predict scaffold pairs that are likely to be derived from the same genome. Then, it applies these predictions to merge incomplete genome bins, as well as recruit unbinned scaffolds. We validated metaBAT-LR’s ability to bin-merge and recruit scaffolds on both synthetic and real-world metagenome datasets of varying complexity. Benchmarking against similar software tools suggests that metaBAT-LR uncovers unique bins that were missed by all other methods.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2006

Software Development Cost Estimation Executive Summary

Identify simple fully validated cost models that provide estimation uncertainty with cost estimate. Based on COCOMO variable set. Use machine learning techniques to determine: a) Minimum number of cost drivers required for NASA domain based cost models; b) Minimum number of data records required and c) Estimation Uncertainty. Build a repository of software cost estimation information. Coordinating tool development and data collection with: a) Tasks funded by PA&E Cost Analysis; b) IV&V Effort Estimation Task and c) NASA SEPG activities.

data mining↗
NASA NTRS2006

Software Development Cost: How Much? You Sure? Technical Summary

This slide presentation reports on findings from analyzing a NASA COCOMO 81 dataset with 93 records. The current tool is called COSEEKMO, using a methodology can be applied to any set of cost models and data. The effort was part of a research initiative funded by the NASA Office of Safety and Mission and Assurance (OSMA) aimed at improving software reliability.

software effort estimation↗
NASA NTRS2006

Studies in Software Cost Model Behavior: Do We Really Understand Cost Model Performance?

While there exists extensive literature on software cost estimation techniques, industry practice continues to rely upon standard regression-based algorithms. These software effort models are typically calibrated or tuned to local conditions using local data. This paper cautions that current approaches to model calibration often produce sub-optimal models because of the large variance problem inherent in cost data and by including far more effort multipliers than the data supports. Building optimal models requires that a wider range of models be considered while correctly calibrating these models requires rejection rules that prune variables and records and use multiple criteria for evaluating model performance. The main contribution of this paper is to document a standard method that integrates formal model identification, estimation, and validation. It also documents what we call the large variance problem that is a leading cause of cost model brittleness or instability.

data mining↗
NASA NTRS2014

Using Historical Data to Automatically Identify Air-Traffic Control Behavior

This project seeks to develop statistical-based machine learning models to characterize the types of errors present when using current systems to predict future aircraft states. These models will be data-driven - based on large quantities of historical data. Once these models are developed, they will be used to infer situations in the historical data where an air-traffic controller intervened on an aircraft's route, even when there is no direct recording of this action.

trajectory generation↗
NASA NTRS2013

Learning Automation Update

This presentation provides a brief update on the national-level airport and airspace clustering work that is being conducted in support of the learning automation component of the EFICA RTT.

data mining↗