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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 OSTI2022

Large Scale Caching and Streaming of Training Data for Online Deep Learning

The training of deep neural network models on large data remains a difficult problem, despite progress towards scalable techniques. In particular, there is a mismatch between the random but predetermined order in which AI flows select training samples and the streaming I/O patterns for which traditional HPC data storage (e.g., parallel file systems) are designed. In addition, as more data are obtained, it is feasible neither simply to train learning models incrementally, due to catastrophic forgetting (i.e., bias towards new samples), nor to train frequently from scratch, due to prohibitive time and/or resource constraints. In this paper, we study data management techniques that combine caching and streaming with rehearsal support in order to enable efficient access to training samples in both offline training and continual learning. We revisit state-of-art streaming approaches based on data pipelines that transparently handle prefetching, caching, shuffling, and data augmentation, and discuss the challenges and opportunities that arise when combining these methods with data-parallel training techniques. We also report on preliminary experiments that evaluate the I/O overheads involved in accessing the training samples from a parallel file system (PFS) under several concurrency scenarios, highlighting the impact of the PFS on the design of the data pipelines.

data pipelines↗
DOE OSTI2024

Accelerating multiscale electronic stopping power predictions with time-dependent density functional theory and machine learning

Knowing the rate at which particle radiation releases energy in a material, the “stopping power,” is key to designing nuclear reactors, medical treatments, semiconductor and quantum materials, and many other technologies. While the nuclear contribution to stopping power, i.e., elastic scattering between atoms, is well understood in the literature, the route for gathering data on the electronic contribution has for decades remained costly and reliant on many simplifying assumptions, including that materials are isotropic. We establish a method that combines time-dependent density functional theory (TDDFT) and machine learning to reduce the time to assess new materials to hours on a supercomputer and provide valuable data on how atomic details influence electronic stopping. Our approach uses TDDFT to compute the electronic stopping from first principles in several directions and then machine learning to interpolate to other directions at a cost of 10 million times fewer core-hours. We demonstrate the combined approach in a study of proton irradiation in aluminum and employ it to predict how the depth of maximum energy deposition, the “Bragg Peak,” varies depending on the incident angle—a quantity otherwise inaccessible to modelers and far outside the scales of quantum mechanical simulations. The lack of any experimental information requirement makes our method applicable to most materials, and its speed makes it a prime candidate for enabling quantum-to-continuum models of radiation damage. The prospect of reusing valuable TDDFT data for training the model makes our approach appealing for applications in the age of materials data science.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Models, data, and scripts associated with “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning”

This data package is associated with the publication “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning’’ submitted to the Journal of Geophysical Research: Machine Learning and Computation (Scheibe et al. 2024). River sediment respiration observations are expensive and labor intensive to obtain and there is no physical model for predicting this quantity. The Worldwide Hydrobiogeochemisty Observation Network for Dynamic River Systems (WHONDRS) observational data set (Goldman et al.; 2020) is used to train machine learning (ML) models to predict respiration rates at unsampled sites. This repository archives training data, ML models, predictions, and model evaluation results for the purposes of reproducibility of the results in the associated manuscript and community reuse of the ML models trained in this project. One of the key challenges in this work was to find an optimum configuration for machine learning models to work with this feature-rich (i.e. 100+ possible input variables) data set. Here, we used a two-tiered approach to managing the analysis of this complex data set: 1) a stacked ensemble of ML models that can automatically optimize hyperparameters to accelerate the process of model selection and tuning and 2) feature permutation importance to iteratively select the most important features (i.e. inputs) to the ML models. The major elements of this ML workflow are modular, portable, open, and cloud-based, thus making this implementation a potential template for other applications. This data package is associated with the GitHub repository found at Please see the file level metadata (flmd; “sl-archive-whondrs_flmd.csv”) for a list of all files contained in this data package and descriptions for each. Please see the data dictionary (dd; “sl-archive-whondrs_dd.csv”) for a list of all column headers contained within comma separated value (csv) files in this data package and descriptions for each. The GitHub repository is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning models trained on the data in “input_data”; (3) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; (4) “examples” contains the visualization of the results in this repository including plotting scripts for the manuscript (e.g., model evaluation, FPI results) and scripts for running predictions with the ML models (i.e., reusing the trained ML models); (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. Furthermore, depending on the number of features used to train the ML models, the preprocessing and postprocessing scripts, and their intermediate results, can also be different branch-to-branch. The “main-*” branches are meant to be starting points (i.e. trunks) for each model branch (i.e. sprouts). Please see the Branch Navigation section in the top-level README.md in the GitHub repository for more details. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please the top-level README.md in the GitHub repository for more details on the automation.

13C↗
NASA NTRSDate not supplied

Increasing accessibility to deep learning-based analytics for space biology: pretrained models, transfer learning, and analytics platform development

Biological systems react in complex ways to the stressors of spaceflight, and the data capturing these relationships is concomitantly high-dimensional and complex. Deep learning and machine learning approaches are increasingly popular as an analytical approach for space biosciences, due to their ability to model complex relationships in complex data. However, such approaches often require large datasets and extensive computational resources. New approaches that minimize data sizes and computational power needed to leverage machine learning, and resources that make these approaches accessible, are needed to increase accessibility and adoption of machine learning in the space biosciences. Transfer learning, in which a pretrained model of broad utility is trained on a large dataset, and subsequently reused on downstream applications for which data is more limited, is one approach to minimizing data and computational intensity of deep learning applications. This transfer learning approach results in more performant models in high-dimensional, low-sample-size settings such as space biology, as compared to training models on limited data from scratch. This presentation will outline efforts to generate pretrained models for the space biology community, and highlight transfer learning applications modeling microbial antibiotic resistance during spaceflight. Finally, in order to increase accessibility of these models and tools, as well as others, for the broader space biology community, we present a modeling and analysis platform facilitating machine learning applications in space biology. This platform streamlines machine learning training and analysis in a notebook format, facilitates download and use of space biology data from the NASA GeneLab database, and can be utilized on NASA-hosted servers or downloaded and hosted locally. This effort, as part of the AI4LS (Artificial Intelligence for Life in Space) working group, will increase accessibility, feasibility, and performance of machine learning approaches for the space biology community.

Adrienne Hoarfrost↗
NASA NTRS1994

A Knowledge-Based Representation Scheme for Environmental Science Models

One of the primary methods available for studying environmental phenomena is the construction and analysis of computational models. We have been studying how artificial intelligence techniques can be applied to assist in the development and use of environmental science models within the context of NASA-sponsored activities. We have identified several high-utility areas as potential targets for research and development: model development; data visualization, analysis, and interpretation; model publishing and reuse, training and education; and framing, posing, and answering questions. Central to progress on any of the above areas is a representation for environmental models that contains a great deal more information than is present in a traditional software implementation. In particular, a traditional software implementation is devoid of any semantic information that connects the code with the environmental context that forms the background for the modeling activity. Before we can build AI systems to assist in model development and usage, we must develop a representation for environmental models that adequately describes a model's semantics and explicitly represents the relationship between the code and the modeling task at hand. We have developed one such representation in conjunction with our work on the SIGMA (Scientists' Intelligent Graphical Modeling Assistant) environment. The key feature of the representation is that it provides a semantic grounding for the symbols in a set of modeling equations by linking those symbols to an explicit representation of the underlying environmental scenario.

Keller, Richard M.↗
NASA NTRS2019

Reusing Data and Metadata to Create New Metadata Through Machine-Learning & Other Programmatic Methods

Recent improvements in natural language processing (NLP) enable metadata to be created programmatically from reused original metadata or even the dataset itself. Transfer-learning applied to NLP has greatly improved performance and reduced training data requirements. In this talk, we’ll compare machine-generated metadata to human-generated metadata and discuss characteristics of metadata and data archives that affect suitability for machine-learning reuse of metadata. Where as human-generated metadata is often populated once, populated from the perspective of data supplier, populated by many individuals with different words for the same thing, and limited in length, machine-generated metadata can be updated any number of times, generated from the perspective of any user, constrained to a standardized set of terms that can be evolved over time, and be any length required. Machine-learning generated metadata offers benefits but also additional needs in terms of version control, process transparency, human-computer interaction, and IT requirements. As a successful example, we’ll discuss how a dataset of abstracts and associated human-tagged keywords from a standardized list of several thousand keywords were used to create a machine-learning model that predicted keyword metadata for open-source code projects on code.nasa.gov. We’ll also discuss a less successful example from data.nasa.gov to show how data archive architecture and characteristics of initial metadata can be strong controls on how easy it is to leverage programmatic methods to reuse metadata to create additional metadata.

Gosses, Justin↗
DOE OSTI2020

Deblending galaxies with variational autoencoders: A joint multiband, multi-instrument approach

ABSTRACT Blending of galaxies has a major contribution in the systematic error budget of weak-lensing studies, affecting photometric and shape measurements, particularly for ground-based, deep, photometric galaxy surveys, such as the Rubin Observatory Legacy Survey of Space and Time (LSST). Existing deblenders mostly rely on analytic modelling of galaxy profiles and suffer from the lack of flexible yet accurate models. We propose to use generative models based on deep neural networks, namely variational autoencoders (VAE), to learn probabilistic models directly from data. We train a VAE on images of centred, isolated galaxies, which we reuse, as a prior, in a second VAE-like neural network in charge of deblending galaxies. We train our networks on simulated images including six LSST bandpass filters and the visible and near-infrared bands of the Euclid satellite, as our method naturally generalizes to multiple bands and can incorporate data from multiple instruments. We obtain median reconstruction errors on ellipticities and r-band magnitude between ±0.01 and ±0.05, respectively, in most cases, and ellipticity multiplicative bias of 1.6 per cent for blended objects in the optimal configuration. We also study the impact of decentring and prove the method to be robust. This method only requires the approximate centre of each target galaxy, but no assumptions about the number of surrounding objects, pointing to an iterative detection/deblending procedure we leave for future work. Finally, we discuss future challenges about training on real data and obtain encouraging results when applying transfer learning.

Arcelin, Bastien↗
DOE OSTI2026

SetGo: Metadata Readiness for Scientific AI Datasets

Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse. The Readiness Engine for Data Integration (REDI) addresses computational readiness, but no corresponding tool evaluates whether a dataset’s metadata are sufficiently complete, governed, and standards-compliant for publication and agent-based consumption. Existing FAIR assessors operate only on published repository records, and no single system covers FAIR compliance, licensing, provenance, governance, reproducibility, and catalog readiness together. We present SetGo, an open-source Python toolkit that assesses and repairs metadata readiness across these six dimensions before a dataset is published or archived. Applied to four scientific corpora, SetGo surfaces deficiencies that general-purpose tools do not detect: ERA5 climate metadata scores 4% on ACDD 1.3 compliance; materials datasets fail OPTIMADE species-definition requirements; and PDB-derived proteomics data carries licensing terms incompatible with standard SPDX identifiers. Guided enrichment raises overall FAIR scores from 52–57% to 81–91%, and a single setgo publish command pushes to Hugging Face Hub, CKAN, or OpenMetadata with ML Commons Croissant 1.0 metadata sidecars. To support interactive and automated workflows, SetGo integrates with coding agents powered by large language models (LLMs) through a /setgo skill that enables natural-language execution of the full assess–enrich–publish loop, with user involvement limited to supplying missing metadata values.

Wilkinson, Sean [ORNL] (ORCID:0000000214437479)↗
DOE OSTI2024

HPC-FAIR: A Framework Managing Data and AI Models for Analyzing and Optimizing Scientific Applications

The increasing reliance on machine learning (ML) to analyze and optimize large-scale scientific applications on supercomputers faces a significant bottleneck: the lack of readily available, high-quality training datasets and the difficulty in reusing existing AI models. This project was motivated by the urgent need to address the “FAIR” principles (Findability, Accessibility, Interoperability, Reusability) for both training datasets and AI models in the high-performance computing (HPC) domain. The project developed HPC-FAIR, a high-performance computing data management framework designed to centralize HPC-related datasets and AI models within a unified hub. To ensure interoperability, the framework established a standardized representation and vocabulary (ontology) for both data and models. HPC-FAIR also implemented automated workflows to streamline data processing, model access, and benchmarking. Additionally, the project focused on optimizing data harnessing efficiency through advanced techniques like deep reuse and compression-based analytics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Software-Hardware Co-design of Heterogeneous SmartNIC System for Recommendation Models Inference and Training

Deep Learning Recommendation Models (DLRMs) are critical applications in various domains and have evolved as one of the single largest machine learning applications. Trillions of DLRM parameters exceed the on-chip memory capacity of GPUs. Large-scale multi-node systems are required for distributed DLRM inference and training, which suffer from the all-to-all communication bottleneck, mainly limiting the scalability of ever-growing DLRMs. In recent years, SmartNICs have evolved with coupled computation and communication capabilities providing opportunities for a powerful heterogeneous device in the system. However, there isn't such a distributed system that fully leverages the abundant smartNIC resources that resolve the scalability issue of DLRMs. In this work, we proposed a software-hardware co-design of a heterogeneous smartNIC system that resolves the communication bottleneck of distributed DLRMs, mitigates the memory bandwidth pressure, and improves computation efficiency. We provide a set of smartNIC designs of cache systems (including local cache and remote cache) and smartNIC computation kernels which reduce data movement, relieve memory lookup intensity, and improve the GPU's computation efficiency. In addition, we propose a graph algorithm that improves the data locality of queries within batches which optimizes the overall system performance with higher data reuse. Our evaluation shows that our system achieves 2.1x latency speedup for inference and 1.6x throughput speedup for training.

Guo, Anqi↗
DOE OSTI2021

Characterizing manufacturing wastewater in the United States for the purpose of analyzing energy requirements for reuse

This paper seeks to inform an improved understanding of the energy tradeoff associated with on-site manufacturing water reuse in the United States from a lifecycle perspective, in part by developing an analytical framework for understanding when this tradeoff for reuse is beneficial. We survey the literature to assess the current state of reuse and its motives and barriers in the United States, before synthesizing information from publicly available EPA data on contaminants in US manufacturing wastewaters and technologies for treating them. Using the available data, we derive a set of “ubiquitous contaminants” among the top ten in terms of mass discharged in more than half of US manufacturing subsectors (NAICS 31–33) according to EPA permit data. We also present information on proven treatment trains and their energy requirements. We then compare water quality requirements for specific contaminants in reclaimed water to those characteristic of wastewater streams currently being discharged from manufacturing plants into surface waters to highlight sectors with reuse opportunities that could require little cost to realize, such as primary metals and, to a lesser extent, petroleum and coal products. We conclude by highlighting data limitations that need to be rectified before applying the framework more broadly and discussing how these data gaps could be filled. Better understanding the relationship between energy and water in the context of on-site manufacturing water reuse would allow manufacturers to improve resiliency by reducing regulatory, physical, and reputational risks while lessening their footprint on local watersheds.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2006

A-Train Data Depot: Integrating and Visualizing Atmospheric Measurements Along the A-Train Tracks

The succession of US and international satellites that follow each other, seconds to minutes apart, across the local afternoon equator crossing is called the ATrain. The A-Train consists of the following satellites, in order of equator crossing: OCO, EOS Aqua, CloudSat, CALIPSO, PARASOL, and EOS Aura. Flying in such formation increases the number of observations, validates observations, and enables coordination between science observations, resulting in a more complete virtual science platform (Kelly, 2000) The goal of this project is to create the first ever A-Train virtual data portal/center, the A-Train Data Depot, to process, archive, access, visualize, analyze and correlate distributed atmosphere measurements from various A-Train instruments along A-Train tracks. The A-Train Data Depot (ATDD) will enable the free movement of remotely located A-Train data so that they are combined to create a consolidated vertical view of the Earth s Atmosphere along the A-Train tracks. Once the infrastructure of the ATDD is in place, it will be easily evolved to serve data from all A-Train data measurements: one stop shopping. The innovative approach of analyzing and visualizing atmospheric profiles along the platforms track (i.e., time) will be accommodated by reusing the GSFC Atmospheric Composition Data and Information Services Center (ACDISC) visualization and analysis tool, GIOVANNI, existing data reduction tools, on-line archwing for fast data access, and Cooperative Institute for Research in the Atmosphere (CRA) data co-registration tools. Initial measurements utilized include CALIPSO lidar backscatter, CloudSat radar reflectivity, clear air relative humidity, water vapor and temperature from AIRS, and cloud properties and aerosols from both MODIS. This will be followed by associated measurements from MLS, OMI, HIRDLS, and TES. Given the independent nature of instrument/platform development, the ATDD project has been met with many interesting challenges that, once resolved, will provide a much greater understanding of the relative flight dynamics and data co-registration of the suite of A-Train instruments, thus greatly increasing the accuracy of A-Train data analysis. Some of these challenges will be discussed. The project s resulting visualizations and analysis illustrate the importance of managing data so that measurements from various missions can be combined to enhance the understanding of the atmosphere. A-Train data management coordination, as performed here, is extremely significant in facilitating the A-Train science of clouds, precipitation, aerosol and chemistry.

Kempler, Steven↗
NASA NTRSDate not supplied

Developing Open-Source Training Materials for AI/ML and Space Biological Sciences Using NASA Cloud-Based Data

Artificial Intelligence (AI) and Machine Learning (ML) has gained significant traction in the biological and biomedical research fields, in part due to a culture of open data sharing and reuse. AI/ML methodology is well-suited to recognize and predict biological patterns from high-dimensional next-generation sequencing data (e.g. whole genome sequencing, transcriptomic sequencing), as well as from biological or medical imaging data (e.g. microscopy, computed tomography, ultrasound, magnetic resonance imaging, radiography). These methodologies hold particular promise for space biosciences research and automated space health monitoring systems. However, there are key considerations for properly training, validating, and testing a machine learning model in biological research or clinical application. Inexperienced researchers can produce models that perform poorly outside of the training dataset. Open Science principles such as data sharing and open-source code must go hand-in-hand with publicly available, high-quality training curricula in best practices, with modules centered on real-life scientific use cases and data so future AI/ML practitioners gain experience on real problems. Here we present the development of open-source training materials for AI/ML and space biosciences, as part of the NASA Transform to Open Science Training (TOPST) initiative. We develop 4 independent training programs, focused on the following topics: 1) Fundamentals of Machine Learning and Space Biosciences Domain, 2) Open Science, Artificial Intelligence, and Ethical Best Practices for Data Sharing and Analysis, 3) Using AI/ML Classification to Identify Gene Networks Affected By Space Exposure in Mouse Liver, and 4) Using Neural Networks to Find DNA Damage Patterns in Immune Cells after Radiation. All programs leverage cloud-based NASA biological datasets. The curriculum we present will enable worldwide access to training in AI/ML and scientific analysis.

James Casaletto↗
NASA NTRS2006

A-Train Data Depot: Integrating, Visualizing, and Extracting Cloudsat, CALIPSO, MODIS, and AIRS Atmospheric Measurements Along the A-Train Tracks

The succession of US and international Earth observing satellites that follow each other, seconds to minutes apart, across the local afternoon equator crossing is called the ATrain. The A-Train consists of the following satellites, in order of equator crossing: OCO, EOS Aqua, CloudSat, CALIPSO, PARASOL, and EOS Aura. Flying in such formation increases the number of observations, validates observations, and enables coordination between science observations, resulting in a more complete virtual science platform (Kelly, 2000). The goal of this project is to create the first ever A-Train virtual data portal/center, the A-Train Data Depot (ATDD), to process, archive, access, visualize, analyze and correlate distributed atmosphere measurements from various A-Train instruments along A-Train tracks. The ATDD will enable the free movement of remotely located A-Train data so that they are combined to create a consolidated vertical view of the Earth's Atmosphere along the A-Train tracks. Once the infrastructure of the ATDD is in place, it will be easily evolved to serve data from all A-Train data measurements: one stop shopping. The innovative approach of analyzing and visualizing atmospheric profiles along the platforms track (i.e., time) will be accommodated by reusing the GSFC Atmospheric Composition Data and Information Services Center (ACDISC) visualization and analysis tool, GIOVANNI, existing data reduction tools, on-line archiving for fast data access, access to remote data without unnecessary data transfers, and data retrieval by users finding data desirable for further study. Initial measurements utilized include CALIPSO lidar backscatter, CloudSat radar reflectivity, clear air relative humidity, water vapor and temperature from AIRS, and cloud properties and aerosols from both MODIS. This will be foilowed by associated measurements from TVILS, =MI, HIRDLS, sad TES. Given the independent nature of instrumentlplatform development, the ATDD project has been met with many interesting challenges that, once resolved, will provide a much greater understanding of the relative flight dynamics and data co-registration of the suite of A-Train instruments, thus greatly increasing the accuracy of A-Train data analysis. Some of these challenges will be illustrated and discussed. The project's early visualizations and analysis efforts illustrate the importance of managing data so that measurements from various missions can be combined to enhance the understanding of the atmosphere. A-Train data management coordination, as performed here, is extremely significant in facilitating the A-Train science of clouds, precipitation, aerosol and chemistry.

Kempler, Steven↗
NASA NTRSDate not supplied

Developing Open-Source Training Materials for AI/ML and Space Biological Sciences Using NASA Cloud-Based Data

Artificial Intelligence (AI) and Machine Learning (ML) has gained significant traction in the biological and biomedical research fields in the last two decades, in part thanks to an increasing culture of open data sharing and reuse. Due to its capability for identifying complex relationships and patterns, AI/ML methodology is particularly well suited to recognize and predict biological patterns from high-dimensional next-generation sequencing data (e.g. whole genome sequencing, transcriptomic sequencing), as well as from biological or medical imaging data (e.g. microscopy, computed tomography, ultrasound, magnetic resonance imaging, radiography). These methodologies hold particular promise for space biosciences research and automated space health monitoring systems. However, there are many key considerations for properly training, validating, and testing a machine learning model in biological research or clinical application. Even with the positive culture of Open Science and data sharing, inexperienced researchers working quickly without proper checks can produce models that perform poorly outside of the immediate training dataset. Lessons learned from biological AI/ML research indicate that Open Science principles such as data sharing and open-source code must go hand-in-hand with publicly available, high-quality training curricula in best practices, with modules centered on real-life scientific use cases and data so future AI/ML practitioners gain experience on real problems. Here we present the development of open-source training materials for AI/ML and space biosciences, as part of the NASA Transform to Open Science Training (TOPST) initiative. We develop 4 independent training programs, focused on the following topics: 1) Fundamentals of Machine Learning and Space Biosciences Domain, 2) Open Science, Artificial Intelligence, and Ethical Best Practices for Data Sharing and Analysis, 3) Using AI/ML Classification to Identify Gene Networks Affected By Space Exposure in Mouse Liver, and 4) Using Neural Networks to Find DNA Damage Patterns in Immune Cells after Radiation. All programs leverage cloud-based NASA biological datasets. The curriculum we present will enable worldwide access to training in AI/ML and scientific analysis.

James Andrew Casaletto↗
NASA NTRS1994

Test Telemetry And Command System (TTACS)

The Jet Propulsion Laboratory has developed a multimission Test Telemetry and Command System (TTACS) which provides a multimission telemetry and command data system in a spacecraft test environment. TTACS reuses, in the spacecraft test environment, components of the same data system used for flight operations; no new software is developed for the spacecraft test environment. Additionally, the TTACS is transportable to any spacecraft test site, including the launch site. The TTACS is currently operational in the Galileo spacecraft testbed; it is also being provided to support the Cassini and Mars Surveyor Program projects. Minimal personnel data system training is required in the transition from pre-launch spacecraft test to post-launch flight operations since test personnel are already familiar with the data system's operation. Additionally, data system components, e.g. data display, can be reused to support spacecraft software development; and the same data system components will again be reused during the spacecraft integration and system test phases. TTACS usage also results in early availability of spacecraft data to data system development and, as a result, early data system development feedback to spacecraft system developers. The TTACS consists of a multimission spacecraft support equipment interface and components of the multimission telemetry and command software adapted for a specific project. The TTACS interfaces to the spacecraft, e.g., Command Data System (CDS), support equipment. The TTACS telemetry interface to the CDS support equipment performs serial (RS-422)-to-ethernet conversion at rates between 1 bps and 1 mbps, telemetry data blocking and header generation, guaranteed data transmission to the telemetry data system, and graphical downlink routing summary and control. The TTACS command interface to the CDS support equipment is nominally a command file transferred in non-real-time via ethernet. The CDS support equipment is responsible for metering the commands to the CDS; additionally for Galileo, TTACS includes a real-time-interface to the CDS support equipment. The TTACS provides the basic functionality of the multimission telemetry and command data system used during flight operations. TTACS telemetry capabilities include frame synchronization, Reed-Solomon decoding, packet extraction and channelization, and data storage/query. Multimission data display capabilities are also available. TTACS command capabilities include command generation verification, and storage.

Fogel, Alvin J.↗
NASA NTRSDate not supplied

Citizen Science Approach for Searching and Curating Literature of the Effects of Spaceflight on Cardiovascular Outcomes in Rodents and Humans

The spaceflight environment causes significant changes to the structure and function of the cardiovascular system, including fluid redistribution, alterations in blood pressure, and changes in cardiac output. The goal of this project is to quantitatively summarize the data on the effects of actual or simulated microgravity and radiation exposure resulting from spaceflight on the cardiovascular system. As the first step, a group of investigators approached through a collaboration of the Ames Life Science Data Archive (ALSDA) Analysis Working Group developed a list of relevant cardiovascular search terms. Based on these, medical librarians generated and executed the search strategy in Medline, CINAHL, Embase and NASA repositories. In parallel, we recruited students and young professionals from various space industry-affiliated organizations, resulting in ~100 individuals joining. With this program we aimed to reach students and young people underrepresented in STEM, including first-generation, female, minorities, disadvantaged backgrounds, fostered individuals, etc. These individuals completed a virtual training course on the nature and methodologies of the project. Following this, the participants were structured into teams with more senior/experienced individuals designated as team leaders. Currently, the teams are screening approximately 15,000 studies using the systematic review tool, Covidence. Teams will be extracting and curating data for meta-analysis of the cardiovascular spaceflight literature, but also extracting, submitting, and curating appropriate datasets into the new ALSDA submission portal and repository. This effort will result in collaborative publications based upon the literature meta-analyses, and a number of publicly accessible datasets for reuse, modeling, machine learning, and knowledge graph-type approaches. This approach reduces the length of time to complete title/abstract screening time from 1-2 years needed for this volume of studies, to 3-4 months, while also providing a unique, open-access educational experience to space research and training in knowledge synthesis tools to interested individuals.

space biology↗
DOE OSTI2022

High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration

Abstract With the goal of accelerating the design and discovery of metal–organic frameworks (MOFs) for electronic, optoelectronic, and energy storage applications, we present a dataset of predicted electronic structure properties for thousands of MOFs carried out using multiple density functional approximations. Compared to more accurate hybrid functionals, we find that the widely used PBE generalized gradient approximation (GGA) functional severely underpredicts MOF band gaps in a largely systematic manner for semi-conductors and insulators without magnetic character. However, an even larger and less predictable disparity in the band gap prediction is present for MOFs with open-shell 3 d transition metal cations. With regards to partial atomic charges, we find that different density functional approximations predict similar charges overall, although hybrid functionals tend to shift electron density away from the metal centers and onto the ligand environments compared to the GGA point of reference. Much more significant differences in partial atomic charges are observed when comparing different charge partitioning schemes. We conclude by using the dataset of computed MOF properties to train machine-learning models that can rapidly predict MOF band gaps for all four density functional approximations considered in this work, paving the way for future high-throughput screening studies. To encourage exploration and reuse of the theoretical calculations presented in this work, the curated data is made publicly available via an interactive and user-friendly web application on the Materials Project.

36 MATERIALS SCIENCE↗