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At least 19 records

Machine Learning (ML) Classifier to Assist Metadata Creation

The Atmospheric Radiation Measurement (ARM) Data Center is responsible for the timely collection, archival, and curation of science data products. These products are freely available through an online data repository. Metadata creation is paramount for scientific users to find and access over seven petabytes of atmospheric science data. The hierarchical metadata structure allows users to search for information at both broad and narrow levels. This project aims to leverage 30 years’ worth of manually created metadata to enable machine predictions of broad-term classifications from narrow-term descriptions. These classification predictions would assist metadata coordinators with their term selections. This paper discusses the cleaning and preprocessing of the training data, the pipeline developed to determine the best model for this task, and the creation of an API metadata classifier for ARM measurement metadata. Our results show that the Linear Support Vector Classification (LinearSVC) algorithm, along with the Term Frequency – Inverse Document Frequency (TF-IDF) vectorizer, is well-suited for our multi-class classification task. Lengthier input training data led to better results, and artificial balancing was unnecessary for this particular use case. This predictive classifier enhances efficiency in metadata creation, as well as supports greater consistency and accuracy in metadata tagging.

Collier, Hannah [ORNL] (ORCID:0000000341284292)↗

A User-Focused Renovation of CERES Metadata

Production software and public data products for Clouds and the Earth’s Radiant Energy System (CERES) continue to evolve as the project extends its climate data record. The data management team for CERES is currently undertaking major renovations of both code and data products, the latter of which is, of course, in service of improving user experience. A major mode of CERES’ data product improvement is in renovating products’ metadata. Metadata standards have evolved since CERES began producing its data products in 2000. In its twentieth year, CERES essentially asked the question: how would the project design its data products if it could start all over again? With forthcoming editions, this rebirth will be realized. CERES has redesigned its metadata standards to best position itself for data discoverability. The project has used the latest standards being developed in NASA’s Earth Science Data and Information Systems (ESDIS) Project’s Unified Metadata Model (UMM) documentation; collaborated with the Atmospheric Science Data Center (ASDC) to ensure compliance with Common Metadata Repository compatibility, and continued compliance with Climate and Forecast (CF) Conventions. In doing so, the team created its own, internal document for proper metadata creation and metadata verification software that is deployed prior to all code deliveries. This presentation will discuss this redesign process, as well as needs met and those that are still outstanding in the search for an improved user experience with CERES data products.

Kathleen Dejwakh↗

Application-Driven Creation of Building Metadata Models with Semantic Sufficiency

Semantic metadata models such as Brick, RealEstateCore, Project Haystack, and BOT promise to simplify and lower the cost of developing software for smart buildings, enabling the widespread deployment of energy efficiency applications. However, creating these models remains a challenge. Despite recent advances in creating models from existing digital representations like point labels and architectural models, there is still no feedback mechanism to ensure that the human input to these methods results in a model that can actually support the desired software. In this paper, we introduce the notion of semantic sufficiency, a practical principle for semantic metadata model creation that asserts that a model is "finished" when it contains the metadata necessary to support a given set of applications. To support semantic sufficiency, we design a standard representation for capturing application metadata requirements and a templating system for generating common metadata model components with limited user input. We then construct an iterative model creation workflow that integrates metadata requirements to direct the model creation effort, and present several novel optimizations that increase the model utility while minimizing the effort by a human operator. These new abstractions for model creation and validation lower model development costs and ensure the utility of the resulting model, thus facilitating the adoption of intelligent building applications.

applications↗

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↗

Evaluation of a scientific data search infrastructure

The ability to search over large scientific datasets has become crucial to next-generation scientific discoveries as data generated from scientific facilities grow dramatically. In previous work, we developed and deployed ScienceSearch, a search infrastructure for scientific data which uses machine learning to automate metadata creation. Our current deployment is deployed atop a container based platform at a HPC center. In this article, we present an evaluation and discuss our experiences with the ScienceSearch infrastructure. Specifically, we present a performance evaluation of ScienceSearch's infrastructure focusing on scalability trends. The obtained results show that ScienceSearch is able to serve up to 130 queries/min with latency under 3 s. We discuss our infrastructure setup and evaluation results to provide our experiences and a perspective on opportunities and challenges of our search infrastructure.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Texture-Based Correspondence Display

Texture-based correspondence display is a methodology to display corresponding data elements in visual representations of complex multidimensional, multivariate data. Texture is utilized as a persistent medium to contain a visual representation model and as a means to create multiple renditions of data where color is used to identify correspondence. Corresponding data elements are displayed over a variety of visual metaphors in a normal rendering process without adding extraneous linking metadata creation and maintenance. The effectiveness of visual representation for understanding data is extended to the expression of the visual representation model in texture.

Gerald-Yamasaki, Michael↗

Automated metadata, provenance cataloging and navigable interfaces: ensuring the usefulness of extreme-scale data

The MPO (Metadata, Provenance, Ontology) Project successfully addressed the goal of improving the usefulness and traceability of scientific data by building a system that could capture and display all steps in the process of creating, analyzing and disseminating that data. Throughout history, scientists have generated handwritten logbooks to keep track of data, their hypotheses, assumptions, experimental setup, and computational processes as well as reflections on observations and issues encountered. Over the last several decades, with the growth of personal computers, handheld devices, and the World Wide Web, the handwritten logbook has begun to be replaced by electronic logbooks. This transition has brought increased capability such as supporting multi-media, hypertext, and fast searching. However, content creation and metadata (a set of data that describes and gives information about other data) capturing has for the most part remained a manual activity just as it was with handwritten logbooks. This has led to a fragmentation of data, processing, and annotation that has only accelerated as scientific workflows continue to increase in complexity. From a scientific perspective, it is very important to be able to understand the lineage of any piece of data: who, what, when, how, and why. This is typically referred to as data provenance. The fragmentation discussed previously often means that data provenance is lost. As scientific workflows move to powerful computers and become more complex, the ability to track all of the steps involved in creating a piece of data become even more difficult. It was the goal of the MPO (Metadata, Provenance, Ontology) Project to create a system (the MPO System) that allows for automatic provenance and metadata capturing in such a way to allow easy searching and browsing. This goal needed to be accomplished in a general way so that it may be used across a broad range of scientific domains, yet allow the addition of vocabulary (Ontology) that is domain specific as is required for intelligent searching and browsing in the scientific context. Through the creation and deployment of the MPO system, the goals of the project were achieved. An enhanced metadata, provenance, and ontology storage system was created. This was combined with innovative methodologies for navigating and exploring these data using a web browser for both experimental and simulation-based scientific research. In addition, a system to allow scientists to instrument their existing workflows for automatic metadata and provenance is part of the MPO system. In that way, a scientist can continue to use their existing methodology yet easily document their work. Workflows and data provenance can be displayed either graphically or in an electronic notebook format and support advanced search features including via ontology. The MPO system was successfully used in both Climate and Magnetic Fusion Energy Research. The software for the MPO system is located at https://github.com/MPO-Group/MPO and is open source distributed under the Revised BSD License. A demonstration site of the MPO system is open to the public and is available at https://mpo.psfc.mit.edu/. A Docker container release of the command line client is available for public download using the command docker pull jcwright/mpo-cli at https://hub.docker.com/r/jcwright/mpo-cli.

97 MATHEMATICS AND COMPUTING↗

Genesis Data Card Schema, Template and Supporting Tools

Genesis Data Cards provide a standardized template and schema for documenting scientific datasets in support of discovery, access, interoperability, reusability, governed use, and AI usability. This release of the Genesis Data Card repository includes a versioned Markdown template, a LinkML schema with generated Pydantic and JSON artifacts, schema documentation, and example completed data cards. Validation tooling is provided to ensure that completed data cards conform to the schema prior to submission. Accompanying documentation for the structured metadata is provided as a Field Reference Guide. The schema and accompanying template provided in this repository address the call for actionable context that enables humans and AI systems to find, access, interpret, cite, and reuse data, and, when appropriate, integrate it into AI and machine learning workflows. The data card is intended to serve as a common metadata artifact intended to support standardized, cross-program dataset documentation across Department of Energy (DOE)-aligned efforts, including but not limited to Genesis Mission-related implementations, the Office of Science, National Nuclear Security Administration (NNSA), and Advanced Simulation and Computing (ASC) data governance and stewardship initiatives.

data card↗

Standardizing Scientific Metadata at Los Alamos National Laboratory

This document is intended for publication in Descriptive Notes, the blog of the Description Section of the Society of American Archivists. This paper focuses on cataloging processes for scientific datasets and the creation of scientific metadata to ensure accessibility of LANL researchers' data.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Automated annotation of scientific texts for ML-based keyphrase extraction and validation

Advanced omics technologies and facilities generate a wealth of valuable data daily; however, the data often lack the essential metadata required for researchers to find, curate, and search them effectively. The lack of metadata poses a significant challenge in the utilization of these data sets. Machine learning (ML)–based metadata extraction techniques have emerged as a potentially viable approach to automatically annotating scientific data sets with the metadata necessary for enabling effective search. Text labeling, usually performed manually, plays a crucial role in validating machine-extracted metadata. However, manual labeling is time-consuming and not always feasible; thus, there is a need to develop automated text labeling techniques in order to accelerate the process of scientific innovation. This need is particularly urgent in fields such as environmental genomics and microbiome science, which have historically received less attention in terms of metadata curation and creation of gold-standard text mining data sets. In this paper, we present two novel automated text labeling approaches for the validation of ML-generated metadata for unlabeled texts, with specific applications in environmental genomics. Our techniques show the potential of two new ways to leverage existing information that is only available for select documents within a corpus to validate ML models, which can then be used to describe the remaining documents in the corpus. The first technique exploits relationships between different types of data sources related to the same research study, such as publications and proposals. The second technique takes advantage of domain-specific controlled vocabularies or ontologies. In this paper, we detail applying these approaches in the context of environmental genomics research for ML-generated metadata validation. Our results show that the proposed label assignment approaches can generate both generic and highly specific text labels for the unlabeled texts, with up to 44% of the labels matching with those suggested by a ML keyword extraction algorithm.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Coping with all the earth science data

A report on the NASA-sponsored Earth Science and Applications Data Systems (ESADS) Workshop is presented. The ESADS report is reviewed and the task groups of the workshop are listed. The program set up to implement the recommendations of the workshop is discussed. The priorities of the ESADS committee recommendations include the development of standards and guidelines for data and metadata exchange, the creation of interoperable catalogs and directories, the development of guidelines for ancillary data archives, development of standard user interfaces, providing greater bandwidth in the user environment, collecting information about data storage technologies, and providing improved network connectivity.

Kahn, Ralph↗

Automated Metadata Extraction: Challenges and Opportunities

Proper application of the FAIR data principles is what separates a vibrant data ecosystem, in which research data are frequently shared and reused, from a lifeless data graveyard. Automated metadata extraction systems have been proposed as a means of bolstering the findability, interoperability, and reusabil- ity of data repositories with little or no human intervention. These extraction systems mine metadata by crawling a repository and applying lightweight extractors that, for various types of file (e.g., image, CSV file), extract or synthesize relevant attributes. In practice, however, the automated creation of generally useful metadata is fraught with challenges. Data consumers may have different perspectives as to what metadata representations are useful, the standards for recording metadata tend to change over time, and the software model for processing updates can introduce unnecessary human and computational effort. Thus, generalizing extraction for a broad audience of data consumers is a difficult and relatively unsolved problem.In this work, we explore these challenges faced by extraction systems in the context of constructing our own extraction system for science data. We first define the metadata extraction problem and provide context to the issues faced in generalizing metadata. Additionally, we identify potential research directions to help alleviate many of these challenges for all automated extraction systems. Ultimately, this work represents a first step in designing ubiquitous metadata extraction systems that can maximize the value of research data while minimizing the human efforts required in doing so.

Skluzacek, Tyler↗

pyGWBSE: a high throughput workflow package for GW-BSE calculations

Abstract We develop an open-source python workflow package, py GWBSE to perform automated first-principles calculations within the GW-BSE (Bethe-Salpeter) framework. GW-BSE is a many body perturbation theory based approach to explore the quasiparticle (QP) and excitonic properties of materials. GW approximation accurately predicts bandgaps of materials by overcoming the bandgap underestimation issue of the more widely used density functional theory (DFT). BSE formalism produces absorption spectra directly comparable with experimental observations. py GWBSE package achieves complete automation of the entire multi-step GW-BSE computation, including the convergence tests of several parameters that are crucial for the accuracy of these calculations. py GWBSE is integrated with Wannier90 , to generate QP bandstructures, interpolated using the maximally-localized wannier functions. py GWBSE also enables the automated creation of databases of metadata and data, including QP and excitonic properties, which can be extremely useful for future material discovery studies in the field of ultra-wide bandgap semiconductors, electronics, photovoltaics, and photocatalysis.

36 MATERIALS SCIENCE↗

GenomeDepot: data management system for microbial comparative genomics

Summary GenomeDepot is an open-source web-based platform for annotation, management, and comparative analysis of microbial genomic sequences and associated data including ortholog families, protein domains, operons, regulatory interactions, strain taxonomy, and sample metadata. GenomeDepot supports rapid creation of websites for user-defined genome collections that include bioinformatic tools for interactive genome browsing, Basic Local Alignment Search Tool (BLAST) search, annotation search, comparative genomic neighborhood visualization, and sequence download. Gene function annotations are generated by a customizable annotation pipeline. The pipeline runs annotation tools in Conda environments and can be easily extended with additional user-specified tools. Availability and implementation GenomeDepot is open source and distributed under the GNU General Public License via GitHub (https://github.com/aekazakov/genome-depot). GenomeDepot is implemented in Python and was tested in Ubuntu Linux. Full installation instructions and documentation are available at https://aekazakov.github.io/genome-depot/. GenomeDepot demo server is freely accessible at https://iseq.lbl.gov/demogd/.

Kazakov, Alexey [Lawrence Berkeley National Labora↗

GenomeDepot v1.0

GenomeDepot is a web-based platform for annotation, management, and comparative analysis of microbial genomic sequences and associated data including ortholog families, protein domains, operons, regulatory interactions, strain taxonomy, and sample metadata. GenomeDepot supports rapid creation of web-sites for user-defined genome collections that include bioinformatic tools for interactive genome browsing, BLAST search, annotation search, comparative genomic neighborhood visualization, and sequence download. Gene function annotations are generated by a customizable annotation pipeline. The pipeline runs annotation tools in Conda environments and can be easily extended with additional user-specified tools.

Kazakov, Alexey [Lawrence Berkeley National Labora↗

Visual Brick model authoring tool for building metadata standardization

In this study, the Brick ontology is a unified semantic metadata standard for building assets and their relationships, serving as a key enabler for effective interoperability and automation of building systems and analytics. However, creating a Brick model, in other words, standard semantic metadata based on the Brick ontology for a building dataset, can be a complex task. This paper presents two case studies of the creation of Brick models for real-world residential and commercial building datasets, highlighting the challenges during the Brick model creation process. Additionally, the paper introduces VizBrick, an interactive authoring tool for creating semantic building metadata. VizBrick facilitates the creation of Brick models by providing an intuitive visual interface and interactive capabilities, such as keyword search, automatic mapping suggestions, and recommendations. The use of VizBrick is shown to significantly reduce the time and effort required during the Brick model creation process.

42 ENGINEERING↗

A Metadata Action Language

The data management problem comprises data processing and data tracking. Data processing is the creation of new data based on existing data sources. Data tracking consists of storing metadata descriptions of available data. This paper addresses the data management problem by casting it as an AI planning problem. Actions are data-processing commands, plans are dataflow programs and goals are metadata descriptions of desired data products. Data manipulation is simply plan generation and execution, and a key component of data tracking is inferring the effects of an observed plan. We introduce a new action language for data management domains, called ADILM. We discuss the connection between data processing and information integration and show how a language for the latter must be modified to support the former. The paper also discusses information gathering within a data-processing framework, and show how ADILM metadata expressions are a generalization of Local Completeness.

Golden, Keith↗

A data model of the Climate and Forecast metadata conventions (CF-1.6) with a software implementation (cf-python v2.1)

Abstract. The CF (Climate and Forecast) metadata conventions are designed to promote the creation, processing, and sharing of climate and forecasting data using Network Common Data Form (netCDF) files and libraries. The CF conventions provide a description of the physical meaning of data and of their spatial and temporal properties, but they depend on the netCDF file encoding which can currently only be fully understood and interpreted by someone familiar with the rules and relationships specified in the conventions documentation. To aid in development of CF-compliant software and to capture with a minimal set of elements all of the information contained in the CF conventions, we propose a formal data model for CF which is independent of netCDF and describes all possible CF-compliant data. Because such data will often be analysed and visualised using software based on other data models, we compare our CF data model with the ISO 19123 coverage model, the Open Geospatial Consortium CF netCDF standard, and the Unidata Common Data Model. To demonstrate that this CF data model can in fact be implemented, we present cf-python, a Python software library that conforms to the model and can manipulate any CF-compliant dataset.

54 ENVIRONMENTAL SCIENCES↗