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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Toward a Deep Learning System for Making Sense of Unlabeled Multimodal Data

Analysts and decision makers are constantly charged with making sense of large amounts of disparate data. With the proliferation of smartphones and the ever-growing array of new sensor technologies, the old adage of swimming in sensors but drowning in data remains especially relevant. As collections of images, video, audio, and text continue to grow, the need for computer-assisted analysis likewise increases. The “data deluge” presents both daunting challenges as well as remarkable opportunities. In this article, we describe Deep Learning approaches for learning representations of data from vast amounts of unlabeled or weakly labeled training sets. These feature representations enable the computer-assisted retrieval and tagging that can help our analysts find patterns in the vast ocean of collected data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

RC-SFA Data Management Templates and Guidance for Standardized, Reusable AI-Ready Data Packages

This data package provides templates and supporting documentation developed by the River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) to communicate its approach to managing and publishing AI-ready data. The package is intended to help data users and data producers understand the structures, metadata practices, and quality-control approaches that support consistent, reusable, and machine-actionable data products across RC-SFA studies. Rather than focusing on a single experimental dataset, this package documents the data management framework used to make RC-SFA data easier to find, ingest, navigate, and interpret. The materials in this package reflect RC-SFA practices for standardized data package organization, including the use of a human- and machine-readable README, file-level metadata, data dictionaries, descriptive file naming, method identifiers, and automated and review-based quality assurance procedures. Together, these components illustrate how RC-SFA extends FAIR data principles toward AI-readiness by prioritizing deep metadata, consistency across data packages, and support for informed downstream reuse by both humans and computational tools. This dataset is comprised of (1) readme; (2) presentation slides with an overview of RC-SFA approach and guidance; (3) document of RC-SFA best practices; (4) data dictionary (dd); (5) file level metadata (flmd); and a subfolder containing templates for dd and flmd. All files are .csv and .pdf. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.

AI-readiness↗
DOE OSTI2020

How Low Can You Go? Using Synthetic 3D Imagery to Drastically Reduce Real-World Training Data for Object Detection

Deep convolutional neural networks (DCNNs) currently provide state-of-the-art performance on image classification and object detection tasks, and there are many global security mission areas where such models could be extremely useful. Crucially, the success of these models is driven in large part by the widespread availability of high-quality open source data sets such as Image Net, Common Objects in Context (COCO), and KITTI, which contain millions of images with thousands of unique labels. However, global security relevant objects-of-interest can be difficult to obtain: relevant events are low frequency and high consequence; the content of relevant images is sensitive; and adversaries and proliferators seek to obscure their activities. For these cases where exemplar data is hard to come-by, even fine-tuning an existing model with available data can be effectively impossible. Recent work demonstrated that models can be trained using a combination of real-world and synthetic images generated from 3D representations; that such models can exceed the performance of models trained using real-world data alone; and that the generated images need not be perfectly realistic (Tremblay, et al., 2018). However, this approach still required hundreds to thousands of real-world images for training and fine tuning, which for sparse, global security-relevant datasets can be an unrealistic hurdle. In this research, we validate the performance and behavior of DCNN models as we drive the number of real-world images used for training object detection tasks down to a minimal set. We perform multiple experiments to identify the best approach to train DCNNs from an extremely small set of real-world images. In doing so, we: Develop state-of-the-art, parameterized 3D models based on real-world images and sample from their parameters to increase the variance in synthetic image training data; Use machine learning explainability techniques to highlight and correct through targeted training the biases that result from training using completely synthetic images; and Validate our results by comparing the performance of the models trained on synthetic data to one another, and to a control model created by fine-tuning an existing ImageNet-trained model with a limited number (hundreds) of real-world images.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

A VERY COMPACT DENSE GALAXY OVERDENSITY WITH δ ≃ 130 IDENTIFIED AT z ∼ 8: IMPLICATIONS FOR EARLY PROTOCLUSTER AND CLUSTER CORE FORMATION

We report the first identification of a compact dense galaxy overdensity at z∼8 called A2744z8OD. A2744z8OD consists of eight Y-dropout galaxies behind Abell 2744 that were originally pinpointed by Hubble Frontier Fields studies. However, so far, no studies have derived the basic physical quantities of structure formation or made comparisons with theoretical models. We obtain a homogeneous sample of dropout galaxies at z∼8 from eight field data of Hubble legacy images that are as deep as the A2744z8OD data. Using the sample, we find that a galaxy surface overdensity value of A2744z8OD is very high δ≃130, where δ is defined by an overdensity in a small circle of 6″ (≃30 physical kiloparsecs) radius. Because there is no such large δ value reported for high-z overdensities to date, A2744z8OD is a system that is clearly different from those found in previous high-z overdensity studies. In the galaxy+structure formation models of Henriques et al., there exists a very similar overdensity, Modelz8OD, that is made of eight model dropout galaxies at z∼8 in a 6″ radius circle. Modelz8OD is a progenitor of a today’s 10{sup 14}M{sub ⊙} cluster, and more than half of the seven Modelz8OD galaxies are merged into the brightest cluster galaxy of the cluster. If Modelz8OD is a counterpart to A2744z8OD, the models suggest that A2744z8OD would be part of a cluster core forming from a 10{sup 14}M{sub ⊙} cluster that began star formation at z>12.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

NASA Open Science Data Repository: Biomedical FAIR Data, Analysis Tools, User Communities, and Discoveries for Deep Space Missions

Increased biomedical risks and challenges associated with deep space missions require new knowledge discovery, new health countermeasures, and development of novel ecosystems, life support, crop production, and biomedical support capabilities. To meet NASA’s Moon to Mars strategic program goals for Human and Biological Sciences, findable, accessible, interoperable, reusable (FAIR), and maximally open-access data is going to be required to enable humanity to thrive in deep space. Indeed, this cornerstone perspective on FAIR and maximally open access data was also recommended in the recent 2023-2032 Decadal Survey from the National Academies of Sciences, Engineering, and Medicine. The NASA Open Science Data Repository (OSDR) is a maximally open access and FAIR database, and meets various scientific, technical, and operational spaceflight needs. It offers public users and submitters the ability to upload, download, search, share, analyze, and visualize data across ‘omics, physiological, phenotypic, behavioral, bioimaging, video, and environmental monitoring telemetry datasets. OSDR includes NASA GeneLab, NASA Ames Life Sciences Data Archive, and the NASA Biological Institutional Scientific Collection. OSDR has >455 studies with datasets from model organisms and non-NASA human astronauts. There are ~12 datasets from the Inspiration 4 (I4) mission, spanning metagenomics, comprehensive metabolic panels, clonal hematopoiesis, spatial transcriptomics, proteomics, and cytokine panels. In the interest of data privacy, two I4 datasets have raw FASTQ and FASTA files relating to the epitranscriptome, and a new request feature is live in OSDR (with a backend review process established) which was developed based on industry norms. OSDR also recently began a collaboration with the European Space Agency (ESA) to scientifically curate and make available >200 terabytes of human and model organism space-relevant data. The OSDR submission portal is designed to ingest and curate ~25 ‘omics assay data types, and ~50 physiological-phenotypic-imaging assay data types, spanning ultrasonography, micro-computed tomography, histology, morphometric photography, rebound tonometry, gait analysis, optical coherence tomography, novel object recognition, flow cytometry, and immunohistochemistry. A suite of analysis tools are available for OSDR users including: 1) an Environmental Data Application to compare radiation, CO2, relative humidity, temperature, and other telemetry across missions and subjects, 2) the RadLab database, a collaboration between NASA, ESA, the German and Italian Space Agencies, and the Bulgarian Academy of Sciences, which compiles radiation measurements relevant to human spaceflight and provides tools for accessing and manipulating the data, and 3) a Multi-study visualization tool which enables users to look across and combine GeneLab’s omics datasets across different experiments and missions. There are ~600 volunteer OSDR Analysis Working Group (AWG) members who: 1) provide feedback on scientific standards for reuse (subject and assay metadata; processing pipelines; dataset formats and uniformed structures for machine-readability), and 2) collaborate to mine-reuse OSDR data conducting scientific analysis. OSDR has enabled 60 publications as of September 2023, many directly from AWG collaborations most notably the Cell Press package in 2020. Lastly, there are at least 15 articles which mine OSDR data part of a package of ~50 articles across Nature Portfolio with research stemming from I4, the Japan Aerospace Exploration Agency, NASA Space Biology, and the NASA Human Research Program.

open access↗
NASA NTRSDate not supplied

Improving Data Analyses for a Biological Mission to Deep Interplanetary Space

Onboard the Artemis 1 rocket, NASA plans to launch the first deep space bioscience mission past low Earth orbit (LEO) since 1972, BioSentinel, a 6-Unit (6U) biological CubeSat. BioSentinel’s goals are to assess the effect of deep space ionizing radiation (IR) on DNA and cell damage response, using Saccharomyces cerevisiae, or budding yeast, as a model organism. BioSentinel accomplishes this by measuring Optical Density (OD) in addition to metabolic activity using the redox dye alamarBlue, both of which will be read through light emitting diode (LED) lights of differing wavelengths. With the largest and most sophisticated energy-providing solar panels utilized on a biological CubeSat to date, BioSentinel will be equipped with an IR dosimeter to identify what doses of radiation the yeast is exposed to at any point in time, in addition to a transponder to send such data back to NASA Ames’ Multi Mission Operations Center (MMOC). Biology computational programs and data processing scripts are necessary to analyze this complex data once it is received, including automated subroutines to analyze duplication rate, alamarBlue reduction, and time periods when paired against numerous other variables. Overall, we have implemented several VisualBasic biocomputational programs to analyze such data in an organized and efficient manner so that conclusions can be made rapidly. Furthermore, we showcase why efficient analysis of particular parameters is important to better understand the risks that deep space IR poses to astronauts, especially when considering the upcoming Artemis missions.

Bijan Harandi↗
DOE OSTI2025

Attention-based functional-group coarse-graining: a deep learning framework for molecular prediction and design

Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML training. In this study, we report a data-efficient, deep-learning framework for molecular discovery that integrates a coarse-grained functional-group representation with a self-attention mechanism to capture intricate chemical interactions. Our approach exploits group-contribution concepts to create a graph-based intermediate representation of molecules, serving as a low-dimensional embedding that substantially reduces the data demands typically required for training. Using a self-attention mechanism to learn the subtle but highly relevant chemical context of functional groups, the method proposed here consistently outperforms existing approaches for predictions of multiple thermophysical properties. In a case study focused on adhesive polymer monomers, we train on a limited dataset comprising only 6,000 unlabeled and 600 labeled monomers. The resulting chemistry prediction model achieves over 92% accuracy in forecasting properties directly from SMILES strings, exceeding the performance of current state-of-the-art techniques. Furthermore, the latent molecular embedding is invertible, enabling the design pipeline to automatically generate new monomers from the learned chemical subspace. We illustrate this functionality by targeting several properties, including high and low glass transition temperatures (Tg), and demonstrate that our model can identify new candidates with values that surpass those in the training set. The ease with which the proposed framework navigates both chemical diversity and data scarcity offers a promising route to accelerate and broaden the search for functional materials.

Han, Ming [Univ. of Chicago, IL (United States)]↗
DOE OSTI2021

Deep learning ferroelectric polarization distributions from STEM data via with and without atom finding

Over the last decade, scanning transmission electron microscopy (STEM) has emerged as a powerful tool for probing atomic structures of complex materials with picometer precision, opening the pathway toward exploring ferroelectric, ferroelastic, and chemical phenomena on the atomic scale. Analyses to date extracting a polarization signal from lattice coupled distortions in STEM imaging rely on discovery of atomic positions from intensity maxima/minima and subsequent calculation of polarization and other order parameter fields from the atomic displacements. Here, we explore the feasibility of polarization mapping directly from the analysis of STEM images using deep convolutional neural networks (DCNNs). In this approach, the DCNN is trained on the labeled part of the image (i.e., for human labelling), and the trained network is subsequently applied to other images. We explore the effects of the choice of the descriptors (centered on atomic columns and grid-based), the effects of observational bias, and whether the network trained on one composition can be applied to a different one. This analysis demonstrates the tremendous potential of the DCNN for the analysis of high-resolution STEM imaging and spectral data and highlights the associated limitations.

36 MATERIALS SCIENCE↗
NASA NTRS2020

Aerosol Layer Height With Enhanced Spectral Coverage Achieved by Synergy Between VIIRS and OMPS-NM Measurements

This study presents a near production-ready algorithm to retrieve the height of biomass burning smoke and mineral dust aerosols as part of NASA’s Deep Blue aerosol data product suite. It utilizes the enhanced spectral coverage achieved by using co-located data from the Visible Infrared Imaging Radiometer Suite (VIIRS) and the Ozone Mapping and Profiler Suite Nadir Mapper (OMPS-NM), both aboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite. Specifically, the 412 nm top-of-atmosphere reflectance from VIIRS and the ultraviolet aerosol index from OMPS-NM are used to determine the height and single-scattering albedo of the absorbing aerosols simultaneously. Constraints on aerosol optical depth at 550 nm and surface reflectance for the 412 nm band are provided by the operational VIIRS Deep Blue aerosol product. Wildfire smoke layer heights obtained from the algorithm over North America, where smoke plumes often stretched thousands of kilometers, are shown to agree with those from Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) measurements, with an uncertainty generally within 1-1.5 km. This new height data set will be included in the upcoming Version 2 VIIRS Deep Blue aerosol product.

Aerosol↗
NASA NTRS2020

Aerosol Layer Height with Enhanced Spectral Coverage Achieved by Synergy between VIIRS and OMPS-NM Measurements

This letter presents a near production-ready algorithm to retrieve the height of biomass burning smoke and mineral dust aerosols as part of National Aeronautics and Space Administration (NASA)’s Deep Blue aerosol data product suite. It utilizes the enhanced spectral coverage achieved by using colocated data from the Visible Infrared Imaging Radiometer Suite (VIIRS) and the Ozone Mapping and Profiler Suite Nadir Mapper (OMPS-NM), both aboard the Suomi National Polar-orbiting Partnership (S-NPP) satellite. In particular, the 412-nm top-of-atmosphere (TOA) reflectance from VIIRS and the ultraviolet aerosol index from OMPS-NM are used to determine the height and single-scattering albedo of the absorbing aerosols simultaneously. Constraints on aerosol optical depth at 550 nm and surface reflectance for the 412-nm band are provided by the operational VIIRS Deep Blue aerosol product. Wildfire smoke layer heights obtained from the algorithm over North America, where smoke plumes often stretched thousands of kilometers, are shown to agree with those from Cloud–Aerosol Lidar with Orthogonal Polarization (CALIOP) measurements, with an uncertainty generally within 1–1.5 km. This new height data set will be included in the upcoming Version 2 VIIRS Deep Blue aerosol product.

aerosol↗
NASA NTRS1973

Tracking and data system support for the Mariner Mars 1971 mission. Volume 3: Orbit insertion through end of primary mission

The Tracking and Data System (TDS) Support for the Mariner Mars 1971 Mission final report contains the deep space tracking and data acquisition activities in support of orbital operations. During this period a major NASA objective was accomplished: completion of the 180th revolution and 90th day of data gathering with the spacecraft about the planet Mars. Included are presentations of the TDS flight support pass chronology data for each of the Deep Space Stations used, and performance evaluation for the Deep Space Network Telemetry, Tracking, Command, and Monitor Systems. With the loss of Mariner 8 at launch, Mariner 9 assumed the mission plan of Mariner 8, which included the TV mapping cycles and a 12-hr orbital period. The mission plan was modified as a result of a severe dust storm on the surface of Mars, which delayed the start of the TV mapping cycles. Thus, the end of primary mission date was extended to complete the TV mapping cycles.

Barnum, P. W.↗
DOE OSTI2023

Molecular Simulation of Lithium Carbonate Reactive Vapor–Liquid Equilibria Using a Deep Potential Model

We developed a first-principles machine learning model for the reactive vapor–liquid phase behavior of molten Li 2 CO 3 . The model was trained on ab initio electronic density functional theory data using the Deep Potential (DP) methodology, and its accuracy was evaluated by comparing model predictions of density and viscosity to experimental measurements. Direct coexistence simulations with the DP model over time scales of tens of nanoseconds were used to observe equilibrium dissociation of Li 2 CO 3 into CO 2 residing primarily in the vapor phase and Li 2 O which remains dissolved in the liquid. The simulations covered a range of temperatures, overall system sizes, and vapor-to-liquid volume ratios. Results were analyzed in terms of the observed chemical composition of the liquid and vapor phases, product structure, and CO 2 partial pressures. In addition, we calculated equilibrium constants for the dissociation reaction by assuming ideal-solution behavior for the liquid. As expected on the basis of thermodynamic arguments and prior experiments for this system, the observed partial pressure of CO 2 in the gas phase depends on both the temperature and the ratio of vapor to liquid volumes, while the calculated equilibrium constants only depend on temperature. DP model predictions for the equilibrium constant of the reaction are generally consistent with the available experimental measurements. Furthermore, the present study establishes the validity of the DP methodology for the description of reactive, multiphase equilibria from first principles, with possible applications to many other systems of scientific and technological interest even in the absence of relevant experimental measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A physics-informed operator regression framework for extracting data-driven continuum models

The application of deep learning toward discovery of data-driven models requires careful application of inductive biases to obtain a description of physics which is both accurate and robust. We present here a framework for discovering continuum models from high fidelity molecular simulation data. Our approach applies a neural network parameterization of governing physics in modal space, allowing a characterization of differential operators while providing structure which may be used to impose biases related to symmetry, isotropy, and conservation form. Here, we demonstrate the effectiveness of our framework for a variety of physics, including local and nonlocal diffusion processes and single and multiphase flows. For the flow physics we demonstrate this approach leads to a learned operator that generalizes to system characteristics not included in the training sets, such as variable particle sizes, densities, and concentration.

42 ENGINEERING↗
DOE OSTI2017

Granite Springs Valley, Nevada Play Fairway Analysis - Well data and Temperature Survey

This data is associated with the Nevada Play Fairway project and includes excel files containing raw 2-meter temperature data and corrections. GIS shapefiles and layer files contain ing location and attribute information for the data are included. Well data includes both deep and shallow TG holes, GIS shapefiles and layer files.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

Meson Form Factors and Deep Exclusive Meson Production Experiments

Pion and kaon electroproduction data play a unique role in Nature and our understanding of them is essential for explaining hadron structure. Precision longitudinaltransverse separated pion and kaon cross sections are of particular interest. They allow for the extraction of meson form factors and validation of understanding of hard exclusive and semi-inclusive reactions (π+, K+, π0, γ) towards 3D hadron imaging and potential future flavor decomposition. We review recent data and present prospects for deep exclusive pion and kaon electroproduction at the 12 GeV Jefferson Lab including the prospects to use projected charged- and neutral pion data to further determine the spin, charge-parity and flavor of GPDs, including the helicity-flip GPDs.

Horn, Tanja↗
DOE OSTI2024

Deep-Learning-derived Boundary Layer Height from Meteorological Data over the SGP, GOAMAZON, CACTI

The planetary boundary-layer (PBL) height (PBLH) is an important parameter for various meteorological and climate studies. This study presents a multi-structure deep neural network (DNN) model, designed to estimate PBLH by integrating morning temperature profiles with surface meteorological observations. The DNN model is developed by leveraging a rich data set of PBLH derived from long-standing radiosonde records and augmented with high-resolution micropulse lidar and Doppler lidar observations. We access the performance of the DNN with an ensemble of 10 members, each featuring distinct hidden layer structures, which collectively yield a robust 27-year PBLH data set over the Southern Great Plains from 1994 to 2020. The influence of various meteorological factors on PBLH is rigorously analyzed through the importance test. Moreover, the DNN model's accuracy is evaluated against radiosonde observations and juxtaposed with conventional remote-sensing methodologies, including Doppler lidar, ceilometer, Raman lidar, and micropulse lidar. The DNN model exhibits reliable performance across diverse conditions and demonstrates lower biases relative to remote-sensing methods. In addition, the DNN model, originally trained over a plain region, demonstrates remarkable adaptability when applied to the heterogeneous terrains and climates encountered during the GoAmazon (tropical rainforest) and CACTI (middle-latitude mountain) campaigns. These findings demonstrate the effectiveness of deep learning models in estimating PBLH, enhancing our understanding of boundary-layer dynamics with implications for enhancing the representation of PBL in weather forecasting and climate modeling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Deep Generative Models that Solve PDEs: Distributed Computing for Training Large Data-Free Models

Recent progress in scientific machine learning (SciML) has opened up the possibility of training novel neural network architectures that solve complex partial differential equations (PDEs). Several (nearly data free) approaches have been recently reported that successfully solve PDEs, with examples including deep feed forward networks, generative networks, and deep encoder-decoder networks. However, practical adoption of these approaches is limited by the difficulty in training these models, especially to make predictions at large output resolutions (≥1024×1024). Here we report on a software framework for data parallel distributed deep learning that resolves the twin challenges of training these large SciML models - training in reasonable time as well as distributing the storage requirements. Our framework provides several out of the box functionality including (a) loss integrity independent of number of processes, (b) synchronized batch normalization, and (c) distributed higher-order optimization methods. We show excellent scalability of this framework on both cloud as well as HPC clusters, and report on the interplay between bandwidth, network topology and bare metal vs cloud. We deploy this approach to train generative models of sizes hitherto not possible, showing that neural PDE solvers can be viably trained for practical applications. We also demonstrate that distributed higher-order optimization methods are 2-3× faster than stochastic gradient-based methods and provide minimal convergence drift with higher batch-size.

PDEs↗