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DOE OSTI2024

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗

NASA NTRS2015

AIRS Mission Support from GES DISC

This talk will describe the support and distribution of AIRS (Atmospheric Infra Red Sounding) data products that are archived and distributed from the Goddard Earth Sciences Data and Information Services Center. Along with data stewardship, an important mission of GES DISC is to enhance the usability of data and broaden the user base. We will provide a brief summary of the current online archive and distribution metrics for the AIRS v5 and v6 products. We will also describe collaborative data sets and services (e.g., visualization and potential science applications) and solicit feedback for potential future services.

version↗

NASA NTRSDate not supplied

Using OPeNDAP In The Cloud to Connect NASA Data Centers and Support Open Data Access

NASA DAACs (Distributed Active Archive Centers), including the Goddard Earth Sciences Data Information and Services Center (GES DISC), are currently transitioning from on-premises servers to a shared Earthdata Cloud in order to build more interoperability, cross-collaboration, and streamlined services between their data centers. Migrating its on-premises OPeNDAP service to the cloud is a critical component of making this interconnectedness between NASA DAACs possible. To improve their cloud services, GES DISC is leveraging open-source platforms like Github to collect user feedback, create use cases, and develop resources to enable real-time learning for users about OPeNDAP in the cloud. This presentation gives an overview of the OPeNDAP in the cloud, resources developed to access this service, and considerations for improved user guidance and experience to further support NASA's commitment to the Open-Source Science Initiative (OSSI).

Christopher Battisto↗

DOE OSTI2021

A Modular System for Increasing Predictiveness for Extreme Climate Predictions

We know that climate change is poised to reshape our world, but we lack clear enough predictions about precisely how. The preponderance of these changes is associated with human activity, specifically the emission of CO 2 and other greenhouse gases. Problematically, projections of climate change continue to be marred by unacceptably large uncertainties which hamper informed decision-making and cost society a chance to adapt proactively and effectively. These uncertainties stem from deficiencies in predictions of future greenhouse gas emissions, but also from inaccuracies in the representation of the physical models used to predict the climate response to such emissions. The uncertainties in projections associated with the inaccurate representation of climate physics, chemistry and biology are similar to those that plagued the first global climate models developed fifty years ago, despite more than a factor 10 8 increase in computer performance. Our transformational question is then, how can the accuracy of climate projections be dramatically improved by applying recent advances in the computational and data sciences to train the models with the wealth of data being constantly collected about the ongoing changes in the climate system?

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

ZENN: A thermodynamics-inspired computational framework for heterogeneous data–driven modeling

Traditional entropy-based methods—such as cross-entropy loss in classification problems—have long been essential tools for representing the information uncertainty and physical disorder in data and for developing artificial intelligence algorithms. However, the rapid growth of data across various domains has introduced new challenges, particularly the integration of heterogeneous datasets with intrinsic disparities. To address this, we introduce a zentropy-enhanced neural network (ZENN), extending zentropy theory into the data science domain via intrinsic entropy, enabling more effective learning from heterogeneous data sources. ZENN simultaneously learns both energy and intrinsic entropy components, capturing the underlying structure of multisource data. To support this, we redesign the neural network architecture to better reflect the intrinsic properties and variability inherent in diverse datasets. We demonstrate the effectiveness of ZENN on classification tasks and energy landscape reconstructions, showing its superior generalization capabilities and robustness-particularly in predicting high-order derivatives. In image and text classification tasks, ZENN demonstrates superior generalization by introducing a learnable temperature variable that models latent multisource heterogeneity, allowing it to surpass state-of-the-art models on CIFAR-10/100, BBC News, and AG News. As a practical application in materials science, we employ ZENN to reconstruct the Helmholtz energy landscape of Fe3Pt using data generated from density functional theory and capture key material behaviors, including negative thermal expansion and the critical point in the temperature–pressure space. Overall, this work presents a zentropy-grounded framework for data-driven machine learning, positioning ZENN as a versatile and robust approach for scientific problems involving complex, heterogeneous datasets.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Performance evaluation of Platform Data ManagementSystem under various degrees of protocol implementation

The Platform Data Management System (DMS) collects Housekeeping (H/K), Payload (P/L) Engineering, and Payload Science data from various subsystems and payloads on the platform for transmission to the ground through the downlink via TDRSS. The DMS also distributes command data received from the ground to various subsystems and payloads. In addition, DMS distributes timing and safemode data. The function of collection and distribution of various types of data is performed by the Command and Data Handling (C&DH) subsystem of DMS. The C&DH subsystem uses for this purpose a number of data buses namely, Housekeeping, Payload Engineering, Payload Science, and Time and Safemode buses. Out of these buses, the H/K, P/L Engineering, and P/L Science buses are planned to be implemented by using MIL-STD 1553 bus. Most of the period covered was spent in developing a queue theoretic model of the 1553 Bus as used in the DMS. The aim is to use this model to test the performance and suitability of the 1553 Bus to the DMS under a number of alternative design scenarios.

Arozullah, Mohammed↗

NASA NTRS2008

Accessing and Utilizing Remote Sensing Data for Vectorborne Infectious Diseases Surveillance and Modeling

Background: The transmission of vectorborne infectious diseases is often influenced by environmental, meteorological and climatic parameters, because the vector life cycle depends on these factors. For example, the geophysical parameters relevant to malaria transmission include precipitation, surface temperature, humidity, elevation, and vegetation type. Because these parameters are routinely measured by satellites, remote sensing is an important technological tool for predicting, preventing, and containing a number of vectorborne infectious diseases, such as malaria, dengue, West Nile virus, etc. Methods: A variety of NASA remote sensing data can be used for modeling vectorborne infectious disease transmission. We will discuss both the well known and less known remote sensing data, including Landsat, AVHRR (Advanced Very High Resolution Radiometer), MODIS (Moderate Resolution Imaging Spectroradiometer), TRMM (Tropical Rainfall Measuring Mission), ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer), EO-1 (Earth Observing One) ALI (Advanced Land Imager), and SIESIP (Seasonal to Interannual Earth Science Information Partner) dataset. Giovanni is a Web-based application developed by the NASA Goddard Earth Sciences Data and Information Services Center. It provides a simple and intuitive way to visualize, analyze, and access vast amounts of Earth science remote sensing data. After remote sensing data is obtained, a variety of techniques, including generalized linear models and artificial intelligence oriented methods, t 3 can be used to model the dependency of disease transmission on these parameters. Results: The processes of accessing, visualizing and utilizing precipitation data using Giovanni, and acquiring other data at additional websites are illustrated. Malaria incidence time series for some parts of Thailand and Indonesia are used to demonstrate that malaria incidences are reasonably well modeled with generalized linear models and artificial intelligence based techniques. Conclusions: Remote sensing data relevant to the transmission of vectorborne infectious diseases can be conveniently accessed at NASA and some other websites. These data are useful for vectorborne infectious disease surveillance and modeling.

Kiang, Richard↗

NASA NTRS2008

Provenance in Data Interoperability for Multi-Sensor Intercomparison

As our inventory of Earth science data sets grows, the ability to compare, merge and fuse multiple datasets grows in importance. This requires a deeper data interoperability than we have now. Efforts such as Open Geospatial Consortium and OPeNDAP (Open-source Project for a Network Data Access Protocol) have broken down format barriers to interoperability; the next challenge is the semantic aspects of the data. Consider the issues when satellite data are merged, cross-calibrated, validated, inter-compared and fused. We must match up data sets that are related, yet different in significant ways: the phenomenon being measured, measurement technique, location in space-time or quality of the measurements. If subtle distinctions between similar measurements are not clear to the user, results can be meaningless or lead to an incorrect interpretation of the data. Most of these distinctions trace to how the data came to be: sensors, processing and quality assessment. For example, monthly averages of satellite-based aerosol measurements often show significant discrepancies, which might be due to differences in spatio- temporal aggregation, sampling issues, sensor biases, algorithm differences or calibration issues. Provenance information must be captured in a semantic framework that allows data inter-use tools to incorporate it and aid in the intervention of comparison or merged products. Semantic web technology allows us to encode our knowledge of measurement characteristics, phenomena measured, space-time representation, and data quality attributes in a well-structured, machine-readable ontology and rulesets. An analysis tool can use this knowledge to show users the provenance-related distrintions between two variables, advising on options for further data processing and analysis. An additional problem for workflows distributed across heterogeneous systems is retrieval and transport of provenance. Provenance may be either embedded within the data payload, or transmitted from server to client in an out-of-band mechanism. The out of band mechanism is more flexible in the richness of provenance information that can be accomodated, but it relies on a persistent framework and can be difficult for legacy clients to use. We are prototyping the embedded model, incorporating provenance within metadata objects in the data payload. Thus, it always remains with the data. The downside is a limit to the size of provenance metadata that we can include, an issue that will eventually need resolution to encompass the richness of provenance information required for daata intercomparison and merging.

Lynnes, Chris↗

NASA NTRS2015

Email-Based Informed Consent: Innovative Method for Reaching Large Numbers of Subjects for Data Mining Research

Since the 2010 NASA authorization to make the Life Sciences Data Archive (LSDA) and Lifetime Surveillance of Astronaut Health (LSAH) data archives more accessible by the research and operational communities, demand for data has greatly increased. Correspondingly, both the number and scope of requests have increased, from 142 requests fulfilled in 2011 to 224 in 2014, and with some datasets comprising up to 1 million data points. To meet the demand, the LSAH and LSDA Repositories project was launched, which allows active and retired astronauts to authorize full, partial, or no access to their data for research without individual, study-specific informed consent. A one-on-one personal informed consent briefing is required to fully communicate the implications of the several tiers of consent. Due to the need for personal contact to conduct Repositories consent meetings, the rate of consenting has not kept up with demand for individualized, possibly attributable data. As a result, other methods had to be implemented to allow the release of large datasets, such as release of only de-identified data. However the compilation of large, de-identified data sets places a significant resource burden on LSAH and LSDA and may result in diminished scientific usefulness of the dataset. As a result, LSAH and LSDA worked with the JSC Institutional Review Board Chair, Astronaut Office physicians, and NASA Office of General Counsel personnel to develop a "Remote Consenting" process for retrospective data mining studies. This is particularly useful since the majority of the astronaut cohort is retired from the agency and living outside the Houston area. Originally planned as a method to send informed consent briefing slides and consent forms only by mail, Remote Consenting has evolved into a means to accept crewmember decisions on individual studies via their method of choice: email or paper copy by mail. To date, 100 emails have been sent to request participation in eight HRP-funded studies. The development of the Remote Consent process, the laws allowing transmission of consent via electronic means, total metrics to date, and remaining challenges (e.g., response issues, use of International Partner data, biospecimens/genetic data) for the research use of LSAH/LSDA data will be described.

Lee, Lesley R.↗

NASA NTRS2015

Exploring NASA GES DISC Data with Interoperable Services

Overview of NASA GES DISC (NASA Goddard Earth Science Data and Information Services Center) data with interoperable services: Open-standard and Interoperable Services Improve data discoverability, accessibility, and usability with metadata, catalogue and portal standards Achieve data, information and knowledge sharing across applications with standardized interfaces and protocols Open Geospatial Consortium (OGC) Data Services and Specifications Web Coverage Service (WCS) -- data Web Map Service (WMS) -- pictures of data Web Map Tile Service (WMTS) --- pictures of data tiles Styled Layer Descriptors (SLD) --- rendered styles.

Giovanni↗

NASA NTRS2019

Long Term Potential Evapotranspiration and Evapotranspiration Data and Services at NASA GES DISC

Recently, the NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) has released global land 3-hourly Potential Evapotranspiration and Supporting Forcing Data Version-1 (PET_PU_3H025.001), at 0.25x0.25 degree spatial resolution, spanning the 23 year period from 1984 to 2006. The Version-2 will be released in the near future, covering longer time period. This dataset was generated by Professor Justin Sheffield through NASA Making Earth System Data Records for Use in Research Environments (MEaSUREs) project. Potential evapotranspiration (PET) is a representation of the environmental demand for evapotranspiration (ET). ET and PET are important part of the global water cycle estimation, and are also critical to advance our understanding of the climate system. NASA GES DISC archives and distributes various global and regional ET datasets from several projects, for example, Land Data Assimilation System (LDAS), Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), other MEaSUREs Projects, such as Land Surface Atmospheric Boundary Interaction Product by William Rossow; and SRB/GEWEX evapotranspiration (Penman-Monteith) by Eric F. Wood. In this presentation, we will overview all available PET and ET datasets and services at GES DISC. As examples, climatology and some seasonal characteristics of PET and selected ET will be shown. The data can be accessed from NASA GES DISC (https://disc.gsfc.nasa.gov/) by searching keyword "evapotranspiration".

Shen, Suhung↗

NASA NTRS2009

Evolution of Web Services in EOSDIS: Search and Order Metadata Registry (ECHO)

During 2005 through 2008, NASA defined and implemented a major evolutionary change in it Earth Observing system Data and Information System (EOSDIS) to modernize its capabilities. This implementation was based on a vision for 2015 developed during 2005. The EOSDIS 2015 Vision emphasizes increased end-to-end data system efficiency and operability; increased data usability; improved support for end users; and decreased operations costs. One key feature of the Evolution plan was achieving higher operational maturity (ingest, reconciliation, search and order, performance, error handling) for the NASA s Earth Observing System Clearinghouse (ECHO). The ECHO system is an operational metadata registry through which the scientific community can easily discover and exchange NASA's Earth science data and services. ECHO contains metadata for 2,726 data collections comprising over 87 million individual data granules and 34 million browse images, consisting of NASA s EOSDIS Data Centers and the United States Geological Survey's Landsat Project holdings. ECHO is a middleware component based on a Service Oriented Architecture (SOA). The system is comprised of a set of infrastructure services that enable the fundamental SOA functions: publish, discover, and access Earth science resources. It also provides additional services such as user management, data access control, and order management. The ECHO system has a data registry and a services registry. The data registry enables organizations to publish EOS and other Earth-science related data holdings to a common metadata model. These holdings are described through metadata in terms of datasets (types of data) and granules (specific data items of those types). ECHO also supports browse images, which provide a visual representation of the data. The published metadata can be mapped to and from existing standards (e.g., FGDC, ISO 19115). With ECHO, users can find the metadata stored in the data registry and then access the data either directly online or through a brokered order to the data archive organization. ECHO stores metadata from a variety of science disciplines and domains, including Climate Variability and Change, Carbon Cycle and Ecosystems, Earth Surface and Interior, Atmospheric Composition, Weather, and Water and Energy Cycle. ECHO also has a services registry for community-developed search services and data services. ECHO provides a platform for the publication, discovery, understanding and access to NASA s Earth Observation resources (data, service and clients). In their native state, these data, service and client resources are not necessarily targeted for use beyond their original mission. However, with the proper interoperability mechanisms, users of these resources can expand their value, by accessing, combining and applying them in unforeseen ways.

Mitchell, Andrew↗

NASA NTRS2019

Satellite Sounder Products in NASA GES DISC & Services Supporting Their Applications

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC), in collaboration with NASA Sounder Team at the Jet Propulsion Laboratory (JPL), provides processing, archiving, and distribution services for remotely-sensed data acquired by satellite sounders. Supported data sets begin chronologically with the legacy TIROS Operational Vertical Sounder (TOVS) Pathfinder, continue to the Atmospheric Infrared Sounder (AIRS), a modern hyperspectral sounder onboard the Aqua satellite, and are followed by data from the subsequent Suomi-National Polar-orbiting Partnership Cross-track Infrared Sounder (CrIS) mission and the Joint Polar Satellite System (JPSS) series CrIS missions. These satellite sounders provide long-term global observations of the atmospheric state, including temperature and humidity profiles, outgoing longwave radiation, cloud properties, and trace gases. Applications of sounder data products cover a broad range of fields, including meteorology climatology, hydrology, and air quality. The GES DISC has developed many services to assist users, including simplified and efficient methods for searching, accessing, downloading, and analytically exploring these satellite sounder data products. We have also developed the Giovanni system, a broadly used Web-based application, which provides a simple and intuitive way to visualize, analyze, and access Earth science remote sensing data. In this presentation, we will introduce the standard and near-real time sounder data products, and demonstrate our services through some use cases. Highlights of our service capabilities include data subset, vertical profile plot, inter-comparison, multi-year monthly/seasonal mean, interannual monthly/seasonal time series, and anomaly analysis.

Ding, Feng↗

NASA NTRS2015

Total and Spectral Solar Irradiance Sensor (TSIS) Project Overview

The main objective of the Total and Spectral solar Irradiance Sensor (TSIS) is to acquire measurements to determine the direct and indirect effects of solar radiation on climate. TSIS total solar irradiance measurements will extend a 37-year long uninterrupted measurement record of incoming solar radiation, the dominant energy source driving the Earths climate and the most precise indicator of changes in the Suns energy output. TSIS solar spectral irradiance measurements will determine the regions of the Earths multi-layered atmosphere that are affected by solar variability, from which the solar forcing mechanisms causing changes in climate can be quantified. TSIS includes two instruments: the Total Irradiance Monitor (TIM) and the Spectral Irradiance Monitor (SIM), integrated into a single payload. The TSIS TIM and SIM instruments are upgraded versions of the two instruments that are flying on the Solar Radiation and Climate Experiment (SORCE) mission launched in January 2003. TSIS was originally planned for the nadir-pointing National Polar-orbiting Operational Environmental Satellite System (NPOESS) spacecraft. The TSIS instrument passed a Critical Design Review (CDR) for NPOESS in December 2009. In 2010, TSIS was re-planned for the Joint Polar Satellite System (JPSS) Polar Free Flyer (PFF). The TSIS TIM, SIM, and associated electronics were built, tested, and successfully completed pre-ship review as of December 2013.In early 2014, NOAA and NASA agreed to fly TSIS on the International Space Station (ISS). In the FY16 Presidents Budget, NASA assumes responsibility for the TSIS mission on ISS. The TSIS project includes requirements, interface, design, build and test of the TSIS payload, including an updated pointing system, for accommodation on the ISS. It takes advantage of the prior development of the TSIS sensors and electronics. The International Space Station (ISS) program contributions include launch services and robotic installation of the TSIS payload onto an ISS Express Logistics Carrier, mission operations, and communications. Total and Spectral solar irradiance data products will be produced, calibrated, and made publically available through the Goddard Earth Science Data and Information Services Center (GES DISC).The NASA GSFC TSIS project at GSFC is responsible for project management, system engineering, safety and mission assurance, and engineering oversight for the TSIS payload. The TSIS project has contracted with the University of Colorado Laboratory for Atmospheric and Space Physics (LASP) for the design, development and testing of TSIS, support for ISS integration, science operations of the TSIS instrument, data processing, data evaluation and delivery to the GES DISC. TSIS will be delivered to Kennedy Space Center for integration in 2017, with launch and installation onto ISS planned for late 2017-early 2018. After a 90-day check-out period, NASA plans five years of TSIS operations.

spectral emission↗

NASA NTRS2015

Technical Report Series on Global Modeling and Data Assimilation: Soil Moisture Active Passive (SMAP) Project Calibration and Validation for the L4_C Beta-Release Data Product - Volume 42

During the post-launch Cal/Val Phase of SMAP there are two objectives for each science product team: 1) calibrate, verify, and improve the performance of the science algorithms, and 2) validate accuracies of the science data products as specified in the L1 science requirements according to the Cal/Val timeline. This report provides analysis and assessment of the SMAP Level 4 Carbon (L4_C) product specifically for the beta release. The beta-release version of the SMAP L4_C algorithms utilizes a terrestrial carbon flux model informed by SMAP soil moisture inputs along with optical remote sensing (e.g. MODIS) vegetation indices and other ancillary biophysical data to estimate global daily NEE and component carbon fluxes, particularly vegetation gross primary production (GPP) and ecosystem respiration (Reco). Other L4_C product elements include surface (<10 cm depth) soil organic carbon (SOC) stocks and associated environmental constraints to these processes, including soil moisture and landscape FT controls on GPP and Reco (Kimball et al. 2012). The L4_C product encapsulates SMAP carbon cycle science objectives by: 1) providing a direct link between terrestrial carbon fluxes and underlying freeze/thaw and soil moisture constraints to these processes, 2) documenting primary connections between terrestrial water, energy and carbon cycles, and 3) improving understanding of terrestrial carbon sink activity in northern ecosystems.

Cal/Val↗

NASA NTRS1994

Using the International Directory Network and connected information systems for research in the Earth and space sciences

Many researchers are becoming aware of the International Directory Network (IDN), an interconnected federation of international directories to Earth and space science data. Are you aware, however, of the many Earth-science-relevant information systems which can be accessed automatically from the directories? After determining potentially useful data sets in various disciplines through directories such as the Global Change Master Directory, it is becoming increasingly possible to get detailed information about the correlative possibilities of these data sets through the connected guide/catalog and inventory systems. Such capabilities as data set browse, subsetting, analysis, etc. are available now and will be improving in the future.

Thieman, J. R.↗

DOE OSTI2022

Reviews and syntheses: The promise of big diverse soil data, moving current practices towards future potential

Abstract. In the age of big data, soil data are more available and richer than ever, but – outside of a few large soil survey resources – they remain largely unusable for informing soil management and understanding Earth system processes beyond the original study. Data science has promised a fully reusable research pipeline where data from past studies are used to contextualize new findings and reanalyzed for new insight. Yet synthesis projects encounter challenges at all steps of the data reuse pipeline, including unavailable data, labor-intensive transcription of datasets, incomplete metadata, and a lack of communication between collaborators. Here, using insights from a diversity of soil, data, and climate scientists, we summarize current practices in soil data synthesis across all stages of database creation: availability, input, harmonization, curation, and publication. We then suggest new soil-focused semantic tools to improve existing data pipelines, such as ontologies, vocabulary lists, and community practices. Our goal is to provide the soil data community with an overview of current practices in soil data and where we need to go to fully leverage big data to solve soil problems in the next century.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

Enhancing accessibility and usability of Algorithm Theoretical Basis Documents through the Algorithm Publication Tool

Effective communication of scientific theories is crucial for transforming raw instrument data into valuable Earth observation products. The NASA Earth science data community disseminates this knowledge through Algorithm Theoretical Basis Documents (ATBDs). Historically, these documents lacked a standardized format, were designed for human readability rather than machine interpretation, and were challenging to locate due to the absence of a centralized repository. The Algorithm Publication Tool (APT) transforms how ATBD content is presented, simplifying the processes of creating, updating, and locating these documents. APT offers authors the option to use its user-friendly cloud-based interface or standardized templates for ATBD development. The primary advantage of the interface is its capability to manage the entire ATBD creation process within a single environment, ensuring comprehensive tracking of all activities and facilitating user tasks. Conversely, the use of standardized ATBD templates allows users to create documents using familiar tools like Google Docs, Microsoft Word, or Overleaf for LaTeX. APT also provides a centralized repository, enabling easy search and discovery of published ATBDs. This presentation showcases APT's functionalities, illustrates its contributions to advancing open science, and highlights potential benefits for broader community adoption.

Bradley Baker↗