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The Modeling and Simulation Catalog for Discovery, Knowledge and Reuse

The DoD M&S Steering Committee has noted that the current DoD and Service's modeling and simulation resource repository (MSRR) services are not up-to-date limiting their value to the using communities. However, M&S leaders and managers also determined that the Department needs a functional M&S registry card catalog to facilitate M&S tool and data visibility to support M&S activities across the DoD. The M&S Catalog will discover and access M&S metadata maintained at nodes distributed across DoD networks in a centrally managed, decentralized process that employs metadata collection and management. The intent is to link information stores, precluding redundant location updating. The M&S Catalog uses a standard metadata schemas based on the DoD's Net-Centric Data Strategy Community of Interest metadata specification. The Air Force, Navy and OSD (CAPE) have provided initial information to participating DoD nodes, but plans on the horizon are being made to bring in hundreds of source providers.

Stone, George F. III↗

Report on the Global Data Assembly Center (GDAC) to the 12th GHRSST Science Team Meeting

In 2010/2011 the Global Data Assembly Center (GDAC) at NASA's Physical Oceanography Distributed Active Archive Center (PO.DAAC) continued its role as the primary clearinghouse and access node for operational Group for High Resolution Sea Surface Temperature (GHRSST) datastreams, as well as its collaborative role with the NOAA Long Term Stewardship and Reanalysis Facility (LTSRF) for archiving. Here we report on our data management activities and infrastructure improvements since the last science team meeting in June 2010.These include the implementation of all GHRSST datastreams in the new PO.DAAC Data Management and Archive System (DMAS) for more reliable and timely data access. GHRSST dataset metadata are now stored in a new database that has made the maintenance and quality improvement of metadata fields more straightforward. A content management system for a revised suite of PO.DAAC web pages allows dynamic access to a subset of these metadata fields for enhanced dataset description as well as discovery through a faceted search mechanism from the perspective of the user. From the discovery and metadata standpoint the GDAC has also implemented the NASA version of the OpenSearch protocol for searching for GHRSST granules and developed a web service to generate ISO 19115-2 compliant metadata records. Furthermore, the GDAC has continued to implement a new suite of tools and services for GHRSST datastreams including a Level 2 subsetter known as Dataminer, a revised POET Level 3/4 subsetter and visualization tool, a Google Earth interface to selected daily global Level 2 and Level 4 data, and experimented with a THREDDS catalog of GHRSST data collections. Finally we will summarize the expanding user and data statistics, and other metrics that we have collected over the last year demonstrating the broad user community and applications that the GHRSST project continues to serve via the GDAC distribution mechanisms. This report also serves by extension to summarize the activities of the GHRSST Data Assembly and Systems Technical Advisory Group (DAS-TAG).

sea surface temperature (SST)↗

Empowering Scientific Discovery Through Computing at the Advanced Photon Source

This paper explores the challenges and solutions for managing and processing the vast amount of data generated by the Advanced Photon Source (APS), a synchrotron light source facility producing ultra-bright x-rays for diverse scientific domains. With 68 experimental beamlines covering materials research, biology, and more, the APS serves a wide user base across academia, government, and industry. The ongoing upgrade of the APS storage ring and installation of new instruments will amplify data generation and processing demands. This paper discusses the approach to address these demands through automated data processing using standardized workflows that produce faster scientific insights. The APS Data Management System coordinates various data related tasks to manage storage, data transfer, metadata cataloging, data processing, and interfaces with tools provided by Globus. Through integration with the Argonne Leadership Computing Facility (ALCF), APS users can efficiently access high-performance computing resources. Standardized workflows have led to reduced computational burdens on scientists and greater accessibility of high performance computing resources. We demonstrate how standardization and collaboration enable scientists to rapidly convert raw data into meaningful scientific results, establishing a streamlined path from data collection to analysis and ultimately to publication.

Parraga, Hannah↗

MAPSTER

MAPSTER Observer is a light-weight software package that can be installed on field deployed computers which automatically manages data and creates metadata packages designed to organize large datasets, making them easy to retrieve and share.

Larson, MatthewD↗

Open Energy Data Initiative (OEDI) FY22-24 (Final Technical Report)

Final technical report for the Open Energy Data Initiative (OEDI) project covering fiscal years FY22 through FY24. The DOE Open Energy Data Initiative (OEDI) is a partnership between the National Renewable Energy Laboratory (NREL), the U.S. Department of Energy (DOE), and major cloud providers including Amazon, Microsoft, and Google to provide universal access to big data in the cloud. At the heart of OEDI is a centralized repository of high-value energy research datasets aggregated from the U.S. Department of Energy's Program Offices, National Laboratories and other collaborators. It aggregates smaller, domain-specific repositories, allows direct data submissions, and includes support for big data through its energy data lakes. OEDI's data lakes make high-value data universally accessible and help researchers, collaborators and the general public overcome many of the obstacles to accessing and using big data.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Collection Metadata Solutions for Digital Library Applications

Within a digital library, collections may range from an ad hoc set of objects that serve a temporary purpose to established library collections intended to persist through time. The objects in these collections vary widely, from library and data center holdings to pointers to real-world objects, such as geographic places, and the various metadata schemas that describe them. The key to integrated use of such a variety of collections in a digital library is collection metadata that represents the inherent and contextual characteristics of a collection. The Alexandria Digital Library (ADL) Project has designed and implemented collection metadata for several purposes: in XML form, the collection metadata "registers" the collection with the user interface client; in HTML form, it is used for user documentation; eventually, it will be used to describe the collection to network search agents; and it is used for internal collection management, including mapping the object metadata attributes to the common search parameters of the system.

Hill, Linda L.↗

MIQS v0.6

In this research, we propose a novel Metadata Indexing and Querying for Self-describing formats (MIQS), which removes the external DBMS and utilizes in-memory index to achieve efficient metadata searching. MIQS follows the self-contained data management paradigm and provides portable and schema-free metadata indexing and querying functionalities for self-describing file formats. We have evaluated MIQS with the state-of-the-art MongoDB-based metadata indexing solution. MIQS achieved up to 99% time reduction in index construction and up to 172,000X search performance improvement with up to 75% reduction in memory footprint.

Byna, Suren↗

MIQS v0.6

In this research, we propose a novel Metadata Indexing and Querying for Self-describing formats (MIQS), which removes the external DBMS and utilizes in-memory index to achieve efficient metadata searching. MIQS follows the self-contained data management paradigm and provides portable and schema-free metadata indexing and querying functionalities for self-describing file formats. We have evaluated MIQS with the state-of-the-art MongoDB-based metadata indexing solution. MIQS achieved up to 99% time reduction in index construction and up to 172,000X search performance improvement with up to 75% reduction in memory footprint.

Byna, Suren↗

Genomes OnLine Database (GOLD) v.10: new features and updates

The Genomes OnLine Database (GOLD; https://gold.jgi.doe.gov/) at the Department of Energy Joint Genome Institute is a comprehensive online metadata repository designed to catalog and manage information related to (meta)genomic sequence projects. GOLD provides a centralized platform where researchers can access a wide array of metadata from its four organization levels namely Study, Organism/Biosample, Sequencing Project and Analysis Project. GOLD continues to serve as a valuable resource and has seen significant growth and expansion since its inception in 1997. With its expanded role as a collaborative platform, it not only actively imports data from other primary repositories like National Center for Biotechnology Information but also supports contributions from researchers worldwide. This collaborative approach has enriched the database with diverse datasets, creating a more integrated resource to enhance scientific insights. As genomic research becomes increasingly integral to various scientific disciplines, more researchers and institutions are turning to GOLD for their metadata needs. To meet this growing demand, GOLD has expanded by adding diverse metadata fields, intuitive features, advanced search capabilities and enhanced data visualization tools, making it easier for users to find and interpret relevant information. This manuscript provides an update and highlights the new features introduced over the last 2 years.

59 BASIC BIOLOGICAL SCIENCES↗

A portable application framework for energy management and information systems (EMIS) solutions using Brick semantic schema

This paper introduces a portable framework for developing, scaling and maintaining energy management and information systems (EMIS) applications using an ontology-based approach. Key contributions include an interoperable layer based on Brick schema, the formalization of application constraints pertaining metadata and data requirements, and a field demonstration. The framework allows for querying metadata models, fetching data, preprocessing, and analyzing data, thereby offering a modular and flexible workflow for application development. Its effectiveness is demonstrated through a case study involving the development and implementation of a data-driven anomaly detection tool for the photovoltaic systems installed at the Politecnico di Torino, Italy. During eight months of testing, the framework was used to tackle practical challenges including: (i) developing a machine learning-based anomaly detection pipeline, (ii) replacing data-driven models during operation, (iii) optimizing model deployment and retraining, (iv) handling critical changes in variable naming conventions and sensor availability (v) extending the pipeline from one system to additional ones.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Technical Report on Subsurface Monitoring of the Brady Hot Spring Geothermal Site, Nevada, based upon Full Waveform Inversion

Abilities to accurately characterize the subsurface in a geothermal setting is key to assess and support production. An important element of geothermal reservoir monitoring is also the ability to investigate fluid transport within fracture network. This report focuses on improving subsurface imaging and monitoring in geothermal settings using full waveform inversion based on the adjoint method and time-lapse imaging. To assess our method, we rely on a dense seismic dataset collected in 2016 at the Brady Hot Springs geothermal site in Nevada for the DOE-funded project Poroelastic Tomography by Adjoint Inverse Modeling of Data from Seismology, Geodesy, and Hydrology. This dataset captures subsurface changes across four stages of geothermal power plant operations, which involve varying rates of fluid injection and extraction. Two velocity models were previously derived from this dataset using different methods: one based on travel times and another on sweep interferometry. Our first step is to refine these models using adjoint tomography, which has been applied successfully at global and regional-scales but is less common at the reservoir-scale. Two approaches are then explored for time-lapse analysis: directly comparing refined tomographic models from different stages or backpropagating waveform differences relative to a baseline tomographic model. The main take away is that both approaches highlight similar reservoir behaviors, but the latter approach is more computationally effective in capturing small-scale changes in subsurface properties. For this work, we leverage the use of Salvus (www.mondaic.com), an end-to-end seismic imaging solution, relying on the spectral element method to compute forward and adjoint simulations, and developed by Mondaic Ltd. It includes integrated workflow management that handles waveform and metadata, launches simulations, computes waveform misfits and adjoint sources, and iterates for model updates by nonlinear optimization.

15 GEOTHERMAL ENERGY↗

Value-added Data Services at the Goddard Earth Sciences Data and Information Services Center

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC), in addition to serving the Earth Science community as one of the major Distributed Active Archives Centers (DAACs), provides much more than just data. Among the value-added services available to general users are subsetting data spatially and/or by parameter, online analysis (to avoid downloading unnecessarily all the data), and assistance in obtaining data from other centers. Services available to data producers and high-volume users include consulting on building new products with standard formats and metadata and construction of data management systems. A particularly useful service is data processing at the DISC (i.e., close to the input data) with the users algorithm. This can take a number of different forms: as a configuration-managed algorithm within the main processing stream; as a stand-alone program next to the on-line data storage; as build-it-yourself code within the Near-Archive Data Mining (NADM) system; or as an on-the-fly analysis with simple algorithms embedded into the web-based tools. Partnerships between the GES DISC and scientists, both producers and users, allow the scientists to concentrate on science, while the GES DISC handles the data management, e.g., formats, integration, and data processing. The existing data management infrastructure at the GES DISC supports a wide spectrum of options: from simple data support to sophisticated on-line analysis tools, producing economies of scale and rapid time-to-deploy. At the same time, such partnerships allow the GES DISC to serve the user community more efficiently and to better prioritize on-line holdings. Several examples of successful partnerships are described in the presentation.

Leptoukh, Gregory G.↗

Optimizing Sample Collection and Accessibility through the Biospecimen and Tissue Sharing Collection (BTSC) Program

The Space Radiation Element (SRE) of the Human Research Program (HRP) is dedicated to establishing a robust biospecimen and tissue sharing collection (BTSC) program that enhances sample collection, tracking, access, distribution, and usability, with the goal of maximizing scientific return. By leveraging biospecimens and tissues from previous experiments, HRP effectively achieves its scientific objectives in characterizing and mitigating the human health impacts of spaceflight while optimizing resource utilization. To further improve the usability and accessibility of the current biospecimen archive, the project aims to expand upon NASA's existing resources and institutional knowledge, ensuring ongoing modernization. To facilitate seamless navigation of the program's workflow, an educational series on the BTSC program is provided to Principal Investigators (PIs). This comprehensive series equips PIs with crucial information on submitting their inventory via the BTSC Metadata Intake Form, ultimately leading to the public availability of their data on NASA's Life Science Portal (NLSP). Covering various aspects such as metadata submission instructions and backend processes for transferring metadata to the Laboratory Information Management System (LIMS), the series incorporates guidance from NASA's Biological Institutional Scientific Collection (NBISC) and Ames Life Sciences Data Archive (ALSDA). The BTSC program represents a significant stride towards enhancing the usability and accessibility of biospecimens for space research. By enabling NASA to deepen its understanding of the health implications of long-term spaceflight, this initiative plays a pivotal role in ensuring the safety and well-being of astronauts.

Shelita Renee Augustus↗

Standardized Architecture for a Mega-Biobank Phenomic Library: The Million Veteran Program (MVP)

Electronic health records (EHRs) provide a wealth of data for phenotype development in population health studies, and researchers invest considerable time to curate data elements and validate disease definitions. The ability to reproduce well-defined phenotypes increases data quality, comparability of results and expedites research. In this paper, we present a standardized approach to organize and capture phenotype definitions, resulting in the creation of an open, online repository of phenotypes. This resource captures phenotype development, provenance and process from the Million Veteran Program, a national mega-biobank embedded in the Veterans Health Administration (VHA). To ensure that the repository is searchable, extendable, and sustainable, it is necessary to develop both a proper digital catalog architecture and underlying metadata infrastructure to enable effective management of the data fields required to define each phenotype. Our methods provide a resource for VHA investigators and a roadmap for researchers interested in standardizing their phenotype definitions to increase portability.

Knight, Kathryn↗

Standardized Architecture for a Mega-Biobank Phenomic Library: The Million Veteran Program (MVP)

Electronic health records (EHRs) provide a wealth of data for phenotype development in population health studies, and researchers invest considerable time to curate data elements and validate disease definitions. The ability to reproduce well-defined phenotypes increases data quality, comparability of results and expedites research. In this paper, we present a standardized approach to organize and capture phenotype definitions, resulting in the creation of an open, online repository of phenotypes. This resource captures phenotype development, provenance and process from the Million Veteran Program, a national mega-biobank embedded in the Veterans Health Administration (VHA). To ensure that the repository is searchable, extendable, and sustainable, it is necessary to develop both a proper digital catalog architecture and underlying metadata infrastructure to enable effective management of the data fields required to define each phenotype. Our methods provide a resource for VHA investigators and a roadmap for researchers interested in standardizing their phenotype definitions to increase portability.

Knight, Kathryn↗

Capturing, Analyzing, Maintaining, and Disseminating Shape Memory Material Data Between Information Management Systems

With an increased demand on reducing the time, cost, and effort to develop new materials, Integrated Computational Materials Engineering (ICME) has received widespread attention in various engineering disciplines as a catalyst for significantly reducing experimental testing during the material design process. An ICME approach to design can enable ‘fit-for-purpose’ materials to be realized in engineering applications by incorporating well-understood process-property-performance relationships between the various length and time scales in a material’s structure, enabling material optimization. However, such an approach requires validated multiscale models at the various length scales for a material, which in turn requires a large amount of data, a robust means of storing the data, and the ability to link data to developed material models. The NASA Vision 2040 [1] has identified nine key elements to enabling ICME approaches in system level design, with one being “Data, Information, and Visualization”, thus outlining the importance of a robust information management system for ICME. As the relationship between microstructure, properties, and material performance become better understood and incorporated into multiscale models that can be leveraged in application design, the emergence of new materials with application-driven properties can be realized. One such new material class that has seen growing attention are shape memory materials (SMM), in which a material can transition between a deformed and undeformed state via a reversible phase transformation when subject to a thermal, mechanical, or magnetic load [2]. SMMs have been used widely in aerospace and biomedical industries, including applications such as actuators, low-shock mechanisms, medical staples, braces, and stents [3, 4]. These materials exhibit unique behavior due to their ability to transition between phases, and thus the mechanisms that enable this transition must be captured in a data information management system and incorporated into SMM material models. At NASA Glenn Research Center, the Shape Memory Materials Database (SMMD) Tool has been developed to capture the necessary information that governs SMM material behavior and provide users the ability to select and visualize various SMMs for a specific application [5]. The database contains point-wise data for published SMM materials, along with the pedigree metadata for traceability necessary for a robust information management system. The database is also capable of storing in-house test data performed at NASA GRC by interacting with the developed Shape Memory Alloy (SMA) Analytics tool to extract the necessary point-wise values and populate the database. Although the SMMD Tool offers its users a single, authoritative source for SMM material data that is critical for model development and material design, the full material pedigree of the in-house test data for SMMs is not currently captured and is out of the scope for the SMMD tool. In this work, the schema for capturing SMM test data within the larger NASA GRC ICME Schema [6, 7, 8, 9] will be developed and implemented for thermomechanical tests conducted at NASA GRC. The developed schema will not only store the relevant data needed for the SMMD tool, but also the material pedigree (i.e., production of the bulk material, bulk material analysis, sample cut-out diagrams, sample fabrication procedure, etc.), test pedigree (i.e., test equipment used, measurement systems used, raw test data), and analysis pedigree (i.e., how the data in the SMMD tool is calculated). Furthermore, a Python-based framework will be developed to seamlessly interact between the SMA Analytics and SMMD tools, which will write the full dataset and associated metadata to the GRC Information Management System before passing the required point-wise data to the SMMD tool. Data informatics is a key element of the NASA Vision 2040, which requires not only that data is stored and maintained throughout the material lifecycle, but that the data is also accessible and reusable such that material development efforts can be minimized. Therefore, for an ICME design approach to be realized, a centralized information management system that drives the ICME process must be able to communicate with other databases. The work that will be presented in this presentation will therefore not only demonstrate the ability of NASA GRC’s information management system to capture SMM data, but also its ability to interact with pre-existing tools specialized for such materials.

Data management↗

Integrated Space Asset Management Database and Modeling

Effective Space Asset Management is one key to addressing the ever-growing issue of space congestion. It is imperative that agencies around the world have access to data regarding the numerous active assets and pieces of space junk currently tracked in orbit around the Earth. At the center of this issues is the effective management of data of many types related to orbiting objects. As the population of tracked objects grows, so too should the data management structure used to catalog technical specifications, orbital information, and metadata related to those populations. Marshall Space Flight Center's Space Asset Management Database (SAM-D) was implemented in order to effectively catalog a broad set of data related to known objects in space by ingesting information from a variety of database and processing that data into useful technical information. Using the universal NORAD number as a unique identifier, the SAM-D processes two-line element data into orbital characteristics and cross-references this technical data with metadata related to functional status, country of ownership, and application category. The SAM-D began as an Excel spreadsheet and was later upgraded to an Access database. While SAM-D performs its task very well, it is limited by its current platform and is not available outside of the local user base. Further, while modeling and simulation can be powerful tools to exploit the information contained in SAM-D, the current system does not allow proper integration options for combining the data with both legacy and new M&S tools. This paper provides a summary of SAM-D development efforts to date and outlines a proposed data management infrastructure that extends SAM-D to support the larger data sets to be generated. A service-oriented architecture model using an information sharing platform named SIMON will allow it to easily expand to incorporate new capabilities, including advanced analytics, M&S tools, fusion techniques and user interface for visualizations. In addition, tight control of information sharing policy will increase confidence in the system, which would encourage industry partners to provide commercial data. Combined with the integration of new and legacy M&S tools, a SIMON-based architecture will provide a robust environment that can be extended and expanded indefinitely.

MacLeod, Todd↗

Building the I (Interoperability) of FAIR for performance reproducibility of large-scale composable workflows in RECUP

Abstract-Scientific computing communities increasingly run their experiments using complex data- and compute-intensive workflows that utilize distributed and heterogeneous architectures targeting numerical simulations and machine learning, often executed on the Department of Energy Leadership Computing Facilities (LCFs). We argue that a principled, systematic approach to implementing FAIR principles at scale, including fine-grained metadata extraction and organization, can help with the numerous challenges to performance reproducibility posed by such workflows. We extract workflow patterns, propose a set of tools to manage the entire life cycle of performance metadata, and aggregate them in an HPC-ready framework for reproducibility (RECUP). We describe the challenges in making these tools interoperable, preliminary work, and lessons learned from this experiment.

97 MATHEMATICS AND COMPUTING↗