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At least 19 records

Master Metadata Repository and Metadata-Management System

A master metadata repository (MMR) software system manages the storage and searching of metadata pertaining to data from national and international satellite sources of the Global Ocean Data Assimilation Experiment (GODAE) High Resolution Sea Surface Temperature Pilot Project [GHRSSTPP]. These sources produce a total of hundreds of data files daily, each file classified as one of more than ten data products representing global sea-surface temperatures. The MMR is a relational database wherein the metadata are divided into granulelevel records [denoted file records (FRs)] for individual satellite files and collection-level records [denoted data set descriptions (DSDs)] that describe metadata common to all the files from a specific data product. FRs and DSDs adhere to the NASA Directory Interchange Format (DIF). The FRs and DSDs are contained in separate subdatabases linked by a common field. The MMR is configured in MySQL database software with custom Practical Extraction and Reporting Language (PERL) programs to validate and ingest the metadata records. The database contents are converted into the Federal Geographic Data Committee (FGDC) standard format by use of the Extensible Markup Language (XML). A Web interface enables users to search for availability of data from all sources.

Armstrong, Edward↗

Syntactic and Semantic Validation without a Metadata Management System

The ability to maintain quality information is essential to securing the confidence in any system for which the information serves as a data source. NASA's Global Change Master Directory (GCMD), an online Earth science data locator, holds over 9000 data set descriptions and is in a constant state of flux as metadata are created and updated on a daily basis. In such a system, the importance of maintaining the consistency and integrity of these-metadata is crucial. The GCMD has developed a metadata management system utilizing XML, controlled vocabulary, and Java technologies to ensure the metadata not only adhere to valid syntax, but also exhibit proper semantics.

Pollack, Janine↗

Making Interoperability Easier with NASA's Metadata Management Tool (MMT)

While the ISO-19115 collection level metadata format meets many users' needs for interoperable metadata, it can be cumbersome to create it correctly. Through the MMT's simple UI experience, metadata curators can create and edit collections which are compliant with ISO-19115 without full knowledge of the NASA Best Practices implementation of ISO-19115 format. Users are guided through the metadata creation process through a forms-based editor, complete with field information, validation hints and picklists. Once a record is completed, users can download the metadata in any of the supported formats with just 2 clicks.

metadata quality↗

Microbiome Metadata Management

Tremendous amounts of microbiome omics data have been generated in recent years, which holds great potential for large-scale studies and metaanalyses. The utility of these datasets is unfortunately limited by their lack of searchability and interoperability. Thorough, standardized metadata is essential for unlocking the scientific discovery potential of disparate datasets. Several national and international initiatives exist to gather and standardize microbiome omics data to improve accessibility and reusability. Continuing to improve consistency in metadata will allow advances in automation and reduction in manual mapping between databases.

59 BASIC BIOLOGICAL SCIENCES↗

MetaCat - metadata catalog for data management systems

Metadata management is one of three major areas and parts of functionality of scientific data management along with replica management and workflow management. Metadata is the information describing the data stored in a data item, a file or an object. It includes the data item provenance, recording conditions, format and other attributes. MetaCat is a metadata management database designed and developed for High Energy Physics experiments. As a component of a data management system, it’s main objectives are to provide efficient metadata storage and management and fast data items selection functionality. MetaCat is supposed to work on the scale of 100 million files (or objects) and beyond. The article will discuss the functionality of MetaCat and technological solutions used to implement the product.

Mandrichenko, Igor↗

Towards FAIR Workflows for Federated Experimental Sciences

A de-centralized, peer-to-peer AI metadata framework is demonstrated which can enable end-to-end metadata & lineage tracking for distributed Machine Learning pipelines spanning edge, High Performance Computing, and cloud environments. With a specific example of end-to-end microscopy algorithm and datasets, the proposed method shows how to enable reproducibility, audit trail, provenance of metadata artifacts. The emerging needs of automation in experimental sciences, ML-centric workflows, and FAIR metadata management across federated compute environments is addressed.

machine learning↗

Best Practices for Energy Management Information Systems Metadata Schemas

The Federal Energy Management Program (FEMP) promotes best practices for impactful utilization of Energy Management Information Systems (EMIS) at federal facilities. This best practice document is part of a series of fact sheets created to help accelerate the market adoption and use of EMIS in the federal sector. The use of standard naming conventions and a metadata schema, which may be referred to as 'data tags,' improves the ability of the EMIS to consistently analyze, visualize, and derive value from operational data. To help address these issues, this fact sheet highlights best practices for use of metadata in an EMIS stack, which can significantly reduce the initial time required to deploy an EMIS.

EMIS↗

Scaling Ensembles of Data-Intensive Quantum Chemical Calculations for Millions of Molecules

Deep learning models are efficient computational tools that can accelerate the inverse design of molecules with desired functional properties by generating predictions at a fraction of the time required by traditional quantum chemical approaches. To ensure that a model maintains accuracy and transferability across broad regions of the chemical space explored during the inverse design, it must be trained on massively large volumes of simulation data. This requires running large-scale ensemble quantum chemical calculations on high-performance computing (HPC) systems for data collection. However, the efficient execution of such large ensemble calculations and the management of large volumes of output data require tools that can judiciously utilize computational resources and manage metadata overhead on the file system. Therefore, we present a high-performance, scalable, ensemble management framework for performing data-intensive quantum chemical electronic structure calculations for organic molecules. This framework provides abstractions to plug different ab initio, first principles, and first principles-based semi-empirical methods and executes them efficiently at large scale on HPC systems. It dynamically distributes tasks to resources and uses tiered storage for managing large collections of files. We employed this framework to process over ten million organic molecules and generate open-source datasets that provide UV-vis absorption spectra by running time-dependent density-functional tight-binding calculations. It is the largest database containing molecular optical spectra that were simulated with quantum chemical methods in a consistent manner.

Mehta, Kshitij↗

A Metadata Element Set for Project Documentation

Abstract NASA Goddard Space Flight Center is a large engineering enterprise with many projects. We describe our efforts to develop standard metadata sets across project documentation which we term the "Goddard Core". We also address broader issues for project management metadata.

Hodge, Gail↗

Centralized Interactive Phenomics Resource: an integrated online phenomics knowledgebase for health data users

Development of clinical phenotypes from electronic health records (EHRs) can be resource intensive. Several phenotype libraries have been created to facilitate reuse of definitions. However, these platforms vary in target audience and utility. Here, we describe the development of the Centralized Interactive Phenomics Resource (CIPHER) knowledgebase, a comprehensive public-facing phenotype library, which aims to facilitate clinical and health services research. The platform was designed to collect and catalog EHR-based computable phenotype algorithms from any healthcare system, scale metadata management, facilitate phenotype discovery, and allow for integration of tools and user workflows. Phenomics experts were engaged in the development and testing of the site. The knowledgebase stores phenotype metadata using the CIPHER standard, and definitions are accessible through complex searching. Phenotypes are contributed to the knowledgebase via webform, allowing metadata validation. Data visualization tools linking to the knowledgebase enhance user interaction with content and accelerate phenotype development. The CIPHER knowledgebase was developed in the largest healthcare system in the United States and piloted with external partners. The design of the CIPHER website supports a variety of front-end tools and features to facilitate phenotype development and reuse. Health data users are encouraged to contribute their algorithms to the knowledgebase for wider dissemination to the research community, and to use the platform as a springboard for phenotyping. CIPHER is a public resource for all health data users available at https://phenomics.va.ornl.gov/ which facilitates phenotype reuse, development, and dissemination of phenotyping knowledge.

60 APPLIED LIFE SCIENCES↗

Centralized Data Management Platform

The technology is an adaptive data management and integration platform designed for disparate data sources. It is built to support multitenancy, manage data governance, handle heterogeneous data formats and advance data democratization using a suite of connected, independent microservices. Each service can be used within an integrated environment, or as a standalone product, with a dedicated set of functionalities, such as metadata management, data versioning, access control, data tagging, link management, and analytics, among others.

Technology Transfer↗

Position Papers for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗

Report for the ASCR Workshop on the Management and Storage of Scientific Data

The purpose of this workshop is to identify priority research directions in the area of data management for high-performance and scientific computing above and beyond HPC’s traditional "the parallel file system is the data-management system" model. Supporting the breadth of the DOE mission, including the explosion of AI uses and the growing needs of experimental and observational science, motivates revisiting our assumptions about data management. There are many facets of this topic to explore including: (1) Interfaces for accessing data that resides on traditional persistent storage as well as memory devices; (2) Storage-system architecture design that supports scientific workflows on varied hierarchical storage and networking devices; (3) Devising metadata management infrastructure to support FAIR principles (Findability, Accessibility, Interoperability, and Reusability); (4) Capturing provenance information about scientific data; (5) Utilizing AI to learn I/O patterns of emerging workloads for efficient data management; (6) Providing data management support for AI and complex workflows; and (7) Understanding the overlap between traditional storage systems and I/O (SSIO) efforts and data management. While the program committee has identified these topics as important areas for discussion, we welcome position papers from the community that propose additional topics of interest for discussion at the workshop. The workshop agenda will include breakout sessions for discussing these and selected topic areas to inform priority research directions for data management for high-performance and scientific computing.

97 MATHEMATICS AND COMPUTING↗

Performance Improvements on SNS and HFIR Instrument Data Reduction Workflows Using Mantid

Performance of data reduction workflows at the High Flux Isotope Reactor (HFIR) and the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) is mainly determined by the time spent loading raw measurement events stored in large and sparse datasets. This paper describes: (1) our long-term view to leverage SNS and HFIR data management needs with our experience at ORNL’s world-class high performance computing (HPC) facilities, and (2) our short-term efforts to speed up current workflows using Mantid, a data analysis and reduction community framework used across several neutron scattering facilities. We show that minimally invasive short-term improvements in metadata management have a moderate impact in speeding up current production workflows. We propose a more disruptive domain-specific solution: the No Cost Input Output (NCIO) framework, we provide an overview, the risks and challenges in NCIO’s adoption by HFIR and SNS stakeholders.

Godoy, William↗