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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

C-HER Metadata Overview: Approach, Standards, and Rigor for the Centralized Health and Exposomic Resource

The Centralized Health and Exposomic Resource (C-HER) unifies environmental, demographic, geographic, and health-related data for exposomic research. The source data differ in format, geographic coverage, time period, resolution, terminology, and documentation. We use a common metadata framework to describe those differences and to record how each data resource has been processed, documented, and ingested. This document relates only to the C-HER metadata framework. It explains the information that is recorded for each resource, the standards used to organize that information, the conditions for metadata completeness, and the relationship between metadata and quality review. It is intended for those who need to understand what C-HER metadata communicates and how it supports appropriate use of the data. It is not an implementation specification or procedure. It does not document the database schema, source code, deployment configuration, transformation algorithms, or dataset-specific QA/QC thresholds. Those materials are maintained separately.

MacFarland, Midgie [ORNL] (ORCID:0009000807354078)↗
NASA NTRS2004

Automatic Generation of Algorithms for the Statistical Analysis of Planetary Nebulae Images

Analyzing data sets collected in experiments or by observations is a Core scientific activity. Typically, experimentd and observational data are &aught with uncertainty, and the analysis is based on a statistical model of the conjectured underlying processes, The large data volumes collected by modern instruments make computer support indispensible for this. Consequently, scientists spend significant amounts of their time with the development and refinement of the data analysis programs. AutoBayes [GF+02, FS03] is a fully automatic synthesis system for generating statistical data analysis programs. Externally, it looks like a compiler: it takes an abstract problem specification and translates it into executable code. Its input is a concise description of a data analysis problem in the form of a statistical model as shown in Figure 1; its output is optimized and fully documented C/C++ code which can be linked dynamically into the Matlab and Octave environments. Internally, however, it is quite different: AutoBayes derives a customized algorithm implementing the given model using a schema-based process, and then further refines and optimizes the algorithm into code. A schema is a parameterized code template with associated semantic constraints which define and restrict the template s applicability. The schema parameters are instantiated in a problem-specific way during synthesis as AutoBayes checks the constraints against the original model or, recursively, against emerging sub-problems. AutoBayes schema library contains problem decomposition operators (which are justified by theorems in a formal logic in the domain of Bayesian networks) as well as machine learning algorithms (e.g., EM, k-Means) and nu- meric optimization methods (e.g., Nelder-Mead simplex, conjugate gradient). AutoBayes augments this schema-based approach by symbolic computation to derive closed-form solutions whenever possible. This is a major advantage over other statistical data analysis systems which use numerical approximations even in cases where closed-form solutions exist. AutoBayes is implemented in Prolog and comprises approximately 75.000 lines of code. In this paper, we take one typical scientific data analysis problem-analyzing planetary nebulae images taken by the Hubble Space Telescope-and show how AutoBayes can be used to automate the implementation of the necessary anal- ysis programs. We initially follow the analysis described by Knuth and Hajian [KHO2] and use AutoBayes to derive code for the published models. We show the details of the code derivation process, including the symbolic computations and automatic integration of library procedures, and compare the results of the automatically generated and manually implemented code. We then go beyond the original analysis and use AutoBayes to derive code for a simple image segmentation procedure based on a mixture model which can be used to automate a manual preproceesing step. Finally, we combine the original approach with the simple segmentation which yields a more detailed analysis. This also demonstrates that AutoBayes makes it easy to combine different aspects of data analysis.

Fischer, Bernd↗
DOE OSTI2021

Mining and Validating Social Media Data for COVID-19–Related Human Behaviors Between January and July 2020: Infodemiology Study

Background: Health authorities can minimize the impact of an emergent infectious disease outbreak through effective and timely risk communication, which can build trust and adherence to subsequent behavioral messaging. Monitoring the psychological impacts of an outbreak, as well as public adherence to such messaging, is also important for minimizing long-term effects of an outbreak. Objective: We used social media data from Twitter to identify human behaviors relevant to COVID-19 transmission, as well as the perceived impacts of COVID-19 on individuals, as a first step toward real-time monitoring of public perceptions to inform public health communications. Methods: We developed a coding schema for 6 categories and 11 subcategories, which included both a wide number of behaviors as well codes focused on the impacts of the pandemic (eg, economic and mental health impacts). We used this to develop training data and develop supervised learning classifiers for classes with sufficient labels. Classifiers that performed adequately were applied to our remaining corpus, and temporal and geospatial trends were assessed. We compared the classified patterns to ground truth mobility data and actual COVID-19 confirmed cases to assess the signal achieved here. Results: We applied our labeling schema to approximately 7200 tweets. The worst-performing classifiers had F1 scores of only 0.18 to 0.28 when trying to identify tweets about monitoring symptoms and testing. Classifiers about social distancing, however, were much stronger, with F1 scores of 0.64 to 0.66. We applied the social distancing classifiers to over 228 million tweets. We showed temporal patterns consistent with real-world events, and we showed correlations of up to –0.5 between social distancing signals on Twitter and ground truth mobility throughout the United States. Conclusions: Behaviors discussed on Twitter are exceptionally varied. Twitter can provide useful information for parameterizing models that incorporate human behavior, as well as for informing public health communication strategies by describing awareness of and compliance with suggested behaviors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Text Mining for Process–Structure–Properties Relationships in Metals

With the advent of large language models (LLMs), the vast unstructured text within millions of academic papers is increasingly accessible for materials discovery—although significant challenges remain. While LLMs offer promising few- and zero-shot learning capabilities, particularly valuable in the materials domain where expert annotations are scarce, general-purpose LLMs often fail to address key materials-specific queries without further adaptation. To bridge this gap, fine-tuning LLMs on human-labeled data is essential for effective structured knowledge extraction (Liu in The Importance of Human-Labeled Data in the Era of LLMs, 2023). Here, in this study, we introduce a novel annotation schema designed to extract generic process–structure–properties relationships from scientific literature. We demonstrate the utility of this approach using a dataset of 128 abstracts, with annotations drawn from two distinct domains: high-temperature materials (Domain I) and uncertainty quantification in simulating materials microstructure (Domain II). Initially, we developed a conditional random field (CRF) model based on MatBERT—a domain-specific BERT variant—and evaluated its performance on Domain I. Subsequently, we compared this model with a fine-tuned LLM (GPT-4o from OpenAI) under identical conditions. Our results indicate that fine-tuning LLMs can significantly improve entity extraction performance over the BERT-CRF baseline on Domain I. However, when additional examples from Domain II were incorporated, the performance of the BERT-CRF model became comparable to that of the GPT-4o model. These findings underscore the potential of our schema for structured knowledge extraction and highlight the complementary strengths of both modeling approaches.

Materials science↗
DOE OSTI2026

Metadata Standards for the NSE: Extended Field Standards

This standard presents a set of optional metadata fields for managed digital objects within the Nuclear Security Enterprise (NSE) and provides a deeper look at data representation in metadata by looking at the representation of 1) Records Management required metadata, and 2) common representations of technical/scientific data. Metadata standardization is a critical enabler for effectively sharing data, documents, and other digital objects between NSE sites, and for tracing the digital thread at the object level. Standardization is necessary for both schemas and vocabularies, meaning that both field standards and value standards must be specified. This document serves as a complementary field standard, recommending an optional set of fields that should be uniformly built for all managed digital objects within the NSE. This document specifically focuses on extending the shared discovery layer defined in the first white paper by introducing additional descriptive and data representation fields that improve cross-site search and interpretation.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

Database schema design: Energy Flexibility Environmental Tradeoffs Tool

The Energy Flexibility-Environment Tradeoff Toolset is designed using Streamlit framework, with Python as the programming language. Data storage is facilitated through the use of SQLite. Streamlit is an open-source Python framework for machine learning and data science teams, and SQLite is the most used database engine.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2025

Consistent performance of large language models in rare disease diagnosis across ten languages and 4917 cases

Background Large language models (LLMs) are increasingly used medicine for diverse applications including differential diagnostic support. The training data used to create LLMs such as the Generative Pretrained Transformer (GPT) predominantly consist of English-language texts, but LLMs could be used across the globe to support diagnostics if language barriers could be overcome. Initial pilot studies on the utility of LLMs for differential diagnosis in languages other than English have shown promise, but a large-scale assessment on the relative performance of these models in a variety of European and non-European languages on a comprehensive corpus of challenging rare-disease cases is lacking. Methods We created 4917 clinical vignettes using structured data captured with Human Phenotype Ontology (HPO) terms with the Global Alliance for Genomics and Health (GA4GH) Phenopacket Schema. These clinical vignettes span a total of 360 distinct genetic diseases with 2525 associated phenotypic features. We used translations of the Human Phenotype Ontology together with language-specific templates to generate prompts in English, Chinese, Czech, Dutch, French, German, Italian, Japanese, Spanish, and Turkish. We applied GPT-4o, version gpt-4o-2024-08-06, and the medically fine-tuned Meditron3-70B to the task of delivering a ranked differential diagnosis using a zero-shot prompt. An ontology-based approach with the Mondo disease ontology was used to map synonyms and to map disease subtypes to clinical diagnoses in order to automate evaluation of LLM responses. Findings For English, GPT-4o placed the correct diagnosis at the first rank 19.9% and within the top-3 ranks 27.0% of the time. In comparison, for the nine non-English languages tested here the correct diagnosis was placed at rank 1 between 16.9% and 20.6%, within top-3 between 25.4% and 28.6% of cases. The Meditron3 model placed the correct diagnosis within the first 3 ranks for 20.9% of cases in English and between 19.9% and 24.0% for the other nine languages. Interpretation The differential diagnostic performance of LLMs across a comprehensive corpus of rare-disease cases was largely consistent across the ten languages tested. This suggests that the utility of LLMs in clinical settings may extend to non-English clinical settings.

Artificial intelligence↗
DOE OSTI2023

The Human Phenotype Ontology in 2024: phenotypes around the world

The Human Phenotype Ontology (HPO) is a widely used resource that comprehensively organizes and defines the phenotypic features of human disease, enabling computational inference and supporting genomic and phenotypic analyses through semantic similarity and machine learning algorithms. The HPO has widespread applications in clinical diagnostics and translational research, including genomic diagnostics, gene-disease discovery, and cohort analytics. In recent years, groups around the world have developed translations of the HPO from English to other languages, and the HPO browser has been internationalized, allowing users to view HPO term labels and in many cases synonyms and definitions in ten languages in addition to English. Since our last report, a total of 2239 new HPO terms and 49235 new HPO annotations were developed, many in collaboration with external groups in the fields of psychiatry, arthrogryposis, immunology and cardiology. The Medical Action Ontology (MAxO) is a new effort to model treatments and other measures taken for clinical management. Finally, the HPO consortium is contributing to efforts to integrate the HPO and the GA4GH Phenopacket Schema into electronic health records (EHRs) with the goal of more standardized and computable integration of rare disease data in EHRs.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1999

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.↗
NASA NTRS2007

A Proposal for a Thesaurus for Web Services in Solar Radiation

Metadata are necessary to discover, describe and exchange any type of information, resource and service at a large scale. A significant amount of effort has been made in the field of geography and environment to establish standards. Efforts still remain to address more specific domains such as renewable energies. This communication focuses on solar energy and more specifically on aspects in solar radiation that relate to geography and meteorology. A thesaurus in solar radiation is proposed for the keys elements in solar radiation namely time, space and radiation types. The importance of time-series in solar radiation is outlined and attributes of the key elements are discussed. An XML schema for encoding metadata is proposed. The exploitation of such a schema in web services is discussed. This proposal is a first attempt at establishing a thesaurus for describing data and applications in solar radiation.

Gschwind, Benoit↗
NASA NTRS2016

Information Management Workflow and Tools Enabling Multiscale Modeling Within ICME Paradigm

With the increased emphasis on reducing the cost and time to market of new materials, the need for analytical tools that enable the virtual design and optimization of materials throughout their processing - internal structure - property - performance envelope, along with the capturing and storing of the associated material and model information across its lifecycle, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. Fortunately, material information management systems and physics-based multiscale modeling methods have kept pace with the growing user demands. Herein, recent efforts to establish workflow for and demonstrate a unique set of web application tools for linking NASA GRC's Integrated Computational Materials Engineering (ICME) Granta MI database schema and NASA GRC's Integrated multiscale Micromechanics Analysis Code (ImMAC) software toolset are presented. The goal is to enable seamless coupling between both test data and simulation data, which is captured and tracked automatically within Granta MI®, with full model pedigree information. These tools, and this type of linkage, are foundational to realizing the full potential of ICME, in which materials processing, microstructure, properties, and performance are coupled to enable application-driven design and optimization of materials and structures.

Materials Engineering↗
DOE OSTI2021

Efficient loading of reduced data ensembles produced at ORNL SNS/HFIR neutron time-of-flight facilities

We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are required to cover a wide range of the phase space of a sample material of interest. They are stored using the standard NeXus schema on individual HDF5 files. This makes it a scalability challenge, as the number of experiments stored increases in a single ensemble file. The present work follows up on our previous efforts on data management algorithms, to address identified input output (I/O) bottlenecks in Mantid, an open-source data analysis framework used across several neutron science facilities around the world. We reuse an in-memory binary-tree metadata index that resembles data access patterns, to provide a scalable search and extraction mechanism. In addition, several memory operations are refactored and optimized for the current common use cases, ranging most frequently from 10 to 180, and up to 360 separate measurement configurations. Results from this work show consistent speed ups in wall-clock time on the Mantid LoadMD routine, ranging from 19% to 23% on average, on ORNL production computing systems. The latter depends on the complexity of the targeted instrument-specific data and the system I/O and compute variability for the shared computational resources available to users of ORNL’s Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) instruments. Nevertheless, we continue to highlight the need for more research to address reduction challenges as experimental data volumes, user time and processing costs increase.

Godoy, William↗
DOE OSTI2024

PVCollada schema

SAND2025-11606O xml schema for PV uses Collada 1.4 schema to provide tag names and structures to allow PV software to exchange Collada files with PV-specific data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Crosby, Sean↗
DOE OSTI2022

GNDS v2.0 release and future developments [Slides]

This presentation begins by discussing the major changes in v2.0 of GNDS and that the GNDS-2.0 formatted libraries are now available. It also examines how code support for GNDS is growing with processing codes, APIs and transport codes, and evaluation/testing codes. The presentation states that while migrating to GNDS can be a major effort it worthwhile, especially for anyone who is just getting started as nuclear data creator or user. Additionally, this presentation outlines the established milestones that the EG-GNDS (the group in charge of GNDS specs) has for the next GNDS release and elaborates on the first goal, which is to migrate GNDS specifications to the new JSON schema language.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Electricity Baseline 2021

The Electricity Baseline (2021) is a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data and was created using the ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0). The Python package used the "ELCI_2021" model configuration to set the facility and generation data sources and years that were used to create this life cycle inventory, which were taken from publicly accessible datasets and automatically curated into a local data store. An archive of the data stores used in this model is available online: https://doi.org/10.18141/2569576. This model is presented in GreenDelta's openLCA schema v2 JSON-LD format (https://greendelta.github.io/olca-schema/).

Electricity; LCA; LCI; Life Cycle↗
DOE OSTI2020

GIS Visualization of Transportation Energy Consumption

Transportation is witnessing unprecedented transformation, where emerging technologies are disrupting the way we travel. Be it sharing economy, or micro-mobility, the landscape of urban transportation is undergoing a much-needed paradigm shift. In order to capture and model these shifts, researchers need to be agile in their studies of the current and future transportation landscape. The need for agility in turn calls for sophisticated, intuitive, and reliable means to visualize and share transportation data. Travel is inherently spatial, so methods of visualizing transportation information should also be rooted in spatial analysis. Geographic Information Systems (GIS) are the premier technological framework to analyze and display spatial data. GIS tools have been used in the past to depict flow of vehicles, and display of network conditions (speed, congestion, etc.). However, in an ever-changing technological landscape, spanning advancements in vehicle as well as information systems, depicting vehicle flows falls short of providing a comprehensive picture of the impact these advancements have on travel related energy consumption. To address this issue, this research effort presents a web-based mapping application to visualize how travel related energy flows across a city. The application is being developed by National Renewable Energy Laboratory researchers to integrate various transportation energy consumption models within a GIS schema. This has the goal of enabling rapid analysis of energy impacts of the dramatically evolving transportation environment. The application is being developed using a Python framework for ArcGIS Online. Using road network data from the City of Columbus, Ohio and traffic data from CATT Laboratory's Regional Integrated Transportation Information System, transportation energy consumption will be modeled at a macro level. The application aims to provide highly accurate data while still maintaining the flexibility needed to adapt the model when new technologies arise. The methodology presented through this effort is expected to provide insights into how light-duty vehicles use energy on a large scale based on the road network they use. The application will also provide data exports to enable sharing and collaboration. " need for agility in turn calls for sophisticated, intuitive, and reliable means to visualize and share transportation data. Travel is inherently spatial, so methods of visualizing transportation information should also be rooted in spatial analysis. Geographic Information Systems (GIS) are the premier technological framework to analyze and display spatial data. GIS tools have been used in the past to depict flow of vehicles, and display of network conditions (speed, congestion, etc.). However, in an ever-changing technological landscape, spanning advancements in vehicle as well as information systems, depicting vehicle flows falls short of providing a comprehensive picture of the impact these advancements have on travel related energy consumption. To address this issue, this research effort presents a web-based mapping application to visualize how travel related energy flows across a city. The application is being developed by National Renewable Energy Laboratory researchers to integrate various transportation energy consumption models within a GIS schema. This has the goal of enabling rapid analysis of energy impacts of the dramatically evolving transportation environment. The application is being developed using a Python framework for ArcGIS Online. Using road network data from the City of Columbus, Ohio and traffic data from CATT Laboratory's Regional Integrated Transportation Information System, transportation energy consumption will be modeled at a macro level. The application aims to provide highly accurate data while still maintaining the flexibility needed to adapt the model when new technologies arise. The methodology presented through this effort is expected to provide insights into how light-duty vehicles use energy on a large scale based on the road network they use. The application will also provide data exports to enable sharing and collaboration.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Biolink Model: A universal schema for knowledge graphs in clinical, biomedical, and translational science

Abstract Within clinical, biomedical, and translational science, an increasing number of projects are adopting graphs for knowledge representation. Graph‐based data models elucidate the interconnectedness among core biomedical concepts, enable data structures to be easily updated, and support intuitive queries, visualizations, and inference algorithms. However, knowledge discovery across these “knowledge graphs” (KGs) has remained difficult. Data set heterogeneity and complexity; the proliferation of ad hoc data formats; poor compliance with guidelines on findability, accessibility, interoperability, and reusability; and, in particular, the lack of a universally accepted, open‐access model for standardization across biomedical KGs has left the task of reconciling data sources to downstream consumers. Biolink Model is an open‐source data model that can be used to formalize the relationships between data structures in translational science. It incorporates object‐oriented classification and graph‐oriented features. The core of the model is a set of hierarchical, interconnected classes (or categories) and relationships between them (or predicates) representing biomedical entities such as gene, disease, chemical, anatomic structure, and phenotype. The model provides class and edge attributes and associations that guide how entities should relate to one another. Here, we highlight the need for a standardized data model for KGs, describe Biolink Model, and compare it with other models. We demonstrate the utility of Biolink Model in various initiatives, including the Biomedical Data Translator Consortium and the Monarch Initiative, and show how it has supported easier integration and interoperability of biomedical KGs, bringing together knowledge from multiple sources and helping to realize the goals of translational science.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Open Building Operating System: An Open-Source Grid Responsive Control Platform for Buildings

Grid-interactive efficient buildings (GEBs) with flexible loads are a promising method to decarbonize buildings, shift loads during peak hours, and lower energy use and electricity costs. Despite the promising benefits of GEBs, automation systems that manage flexible loads in response to energy prices or other grid signals are still uncommon in small and medium commercial buildings. Recent literature demonstrates such control solutions, but they often rely on custom integrations lacking the tools and drivers needed for scalability. To address these gaps, our team has created a fully open-source software stack capable of integrating heterogeneous flexible building loads and implementing integrated portable control applications called the Open Building Operating System (OpenBOS). The software can be deployed over existing control architecture with a small capital cost. OpenBOS leverages semantic models, which have been the subject of recent investigations to facilitate application portability. The use of semantic data reduces the labor and expense required to deploy and update smart control applications, increasing scalability. In this paper, the semantic modeling schema "Brick" was used, but the proposed approach can also be applied to ASHRAE standard 223P, when released. This paper describes the methodology and software components of OpenBOS and demonstrates its functionality with a rule-based demand flexibility control application configured using a semantic model. This application was tested at a real building in NY that uses a dual-fuel heating system made up of five ductless heat pump mini-splits and a central furnace serving a single zone. The demonstration reduced electricity costs at the site by 27%, demand during a shed event by 49%, and furnace usage by 35%.

24 POWER TRANSMISSION AND DISTRIBUTION↗