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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

AI-Ready Data Pilot Project Report

The proliferation of artificial intelligence in scientific research has created an urgent need to define "AI-ready data" for researchers and, more importantly, provide resources to help them produce AI-ready data. At Pacific Northwest National Laboratory, we conducted a pilot study with three data scientists evaluating three CSV datasets from different scientific domains, followed by semi-structured interviews capturing assessment practices. Our findings reveal that AI-readiness evaluation is intuition-based, with practitioners asking "How fast can I go from raw data to my machine learning pipeline?" Data scientists consistently prioritized workflow efficiency, human interpretability, and quality stewardship signals. From these insights, we developed a practical evaluation framework comprising data requirements, metadata standards, and validation tests that provides actionable criteria for producing and curating AI-ready datasets, addressing the gap between theoretical understanding and practical implementation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2023

Commercial Smallsat Data Acquisition Program On-ramp #2 Airbus U.S. Synthetic Aperture Radar (SAR) Evaluation Report

In 2017, NASA’s Earth Science Division (ESD) launched the Private-Sector Small Constellation Satellite Data Product Pilot, now referred to as the Commercial Smallsat Data Acquisition (CSDA) program. The objective of CSDA is to identify, evaluate, and acquire commercial remote sensing data that support NASA’s Earth science research and application activities. The Pilot successfully concluded in early 2020, when CSDA transitioned into a sustained program with on-ramping opportunities for new vendors as the industry emerges with new candidates and capabilities. In October 2019, a Request for Information (RFI) seeking capability statements from parties interested in providing data from spaceborne platforms was released for the CSDA on-ramp #2 evaluations. To be responsive to the RFI, the commercial satellite constellations had to consist of three or more operating spacecraft actively collecting data in a non-geostationary orbit with full latitudinal coverage and be U.S. companies. Two vendors responded to the RFI and were evaluated by a committee composed of NASA ESD leadership, program managers, and scientists. Both vendors satisfied the RFI requirements and were asked to respond to a Request for Proposal (RFP). After review of the proposals, NASA entered into a Blanket Purchase Agreement (BPA) with Airbus Defense and Space GEO, Inc. (Airbus) U.S. in September 2021 and with BlackSky Geospatial Solutions, Inc. (BlackSky) in November 2021. In this report, CSDA provides an evaluation of the usefulness of data provided by the Airbus U.S. Synthetic Aperture Radar (SAR) satellite constellation, consisting of TerraSAR-X (launched in 2007), TanDEM-X (launched in 2010), and PAZ (launched in 2018), for advancing NASA’s Earth system science research and applications. The evaluation of the BlackSky commercial data will be provided in a separate report. To conduct the Airbus evaluation, NASA’s ESD augmented 13 existing research projects that could potentially benefit from, and had the expertise to evaluate, the commercial data being considered for longer-term purchase. Investigators from NASA’s Research and Analysis Program science focus areas and from NASA’s Applied Sciences Program elements participated in the evaluation. A summary of the research areas evaluated by the Principal Investigator (PI) teams is presented in Figure 3. CSDA also funded a dedicated activity to evaluate the satellite data quality (calibration and geolocation) independently by assessing the accuracy of data from Airbus. Evaluation activities were carried out by the selected PIs from December 7, 2022, to December 7, 2023. Delivery of datasets requested by the researchers began in January 2023. The vendors were evaluated on the accessibility of data, accuracy and completeness of metadata, and promptness and quality of user support services. Datasets purchased during the evaluation have been archived by NASA and will be made available to current and future government-funded researchers in accordance with the End User License Agreement (EULA). This synthesis report distills and integrates the findings of research reports commissioned by NASA for the Airbus evaluation. This report also includes recommendations that inform the way ahead for the program. The scientific results from the evaluations demonstrated that the commercial data from Airbus were able to advance NASA research and applications. However, the PIs encountered limitations that diminished the usefulness of the data due to the amount of effort that was required to access, preprocess, and analyze these data. One significant issue encountered was the limited spatial and temporal coverage of the data in the Airbus archive that could be used to conduct time series analyses or assessments over large spatial scales. Overall, however, the utility and the quality of the evaluated data outweighed the difficulties encountered, and NASA has concluded that the Airbus SAR data would complement NASA’s existing Earth observation capabilities and Airbus U.S. would qualify to participate in the sustained phase of the program.

Batuhan Osmanoglu↗
DOE OSTI2021

MOFLUX Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: Modeling Archive

This Modeling Archive is in support the publication “Intensified Soil Moisture Extremes Decrease Soil Organic Carbon Decomposition: A Mechanistic Modeling Analysis” (Liang et al., 2021). Here we provide model code, inputs, outputs and evaluation datasets for the Microbial ENzyme Decomposition (MEND) model for the Missouri Ozarks AmeriFlux eddy covariance measurement site (MOFLUX) near Ashland, Missouri USA. The MEND model was developed with explicit representation of microbial and enzyme pools to mechanistically simulate the role of microbial organisms and extracellular enzymes in soil organic carbon (SOC) decomposition. Long-term SOC dynamics under intensified moisture extremes are studied using the MEND model that is parameterized with 11 years of measurements from the MOFLUX forest. The model explicitly represents microbial dormancy and resuscitation, different types of SOC-degrading enzymes, and how they vary with changes in soil moisture (Wang et al. 2015, 2019). A combination of two levels of frequency and severity of soil moisture, as well as a control with normal interannual variability, are used to simulate a range of moisture scenarios over 100 years. The code of Microbial-ENzyme Decomposition (MEND) as well as the input and output data are included in the archive. A user’s manual (MEND_Readme.pdf) is included with instructions for compiling and running the model to simulate soil organic carbon decomposition under various moisture scenarios. This dataset contains the modelling archive contained within a compressed (*.zip) file, a file-level metadata file in comma separate (*.csv) format, and two instructional files in PDF (*.pdf) format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Machine Learning for Automated Metadata Assignment in Buildings: Cooperative Research and Development (Final Report, CRADA Number CRD-18-00767)

RealTerm Energy and NREL have identified a shared vision to evaluate opportunities to facilitate the organization and assignment of metadata to building control system (BCS) data via industry-informed machine learning (ML). Manual metadata assignment is labor intensive and costly, slowing down any Energy Management and Information System (EMIS) deployment in the building space. This project aims to develop methodologies to accurately assign this metadata and significantly decrease the level of effort associated with deploying EMIS. The objective of this project is to identify/design methodologies to assign metadata to HVAC control points automatically. The identified methodologies will be programmed in analytics algorithms so they can ingest a list of points and produce a detailed tagging following the Haystack classification nomenclature. To validate the efficacy of each methodology, tagging results will be compared utilizing a list of points extracted from RealTerm's building database-as well as data extracted from the NREL campus via the Intelligent Campus program-enabling testing against large datasets with real world challenges. The developed methodologies may leverage building manager/operator input on a limited basis to add context to the classifying algorithms. The partnership aims to advance global efforts in areas related to the DOE missions through improving operational performance of commercial buildings. It is well documented that buildings fall out of commission after they are occupied, wasting significant energy and incurring associated costs simply due to poor operational performance. Emerging EMIS technologies that perform continuous commissioning help to address this issue, yet integration of these systems can be labor intensive both for the technology vendor and the building owner/operator. This project will enable more efficient and cost-effective analytics for buildings, enabling improvement in building operations at lower cost points.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

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↗
DOE OSTI2020

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↗
DOE OSTI2011

Object-Oriented Database for Managing Building Modeling Components and Metadata: Preprint

Building simulation enables users to explore and evaluate multiple building designs. When tools for optimization, parametrics, and uncertainty analysis are combined with analysis engines, the sheer number of discrete simulation datasets makes it difficult to keep track of the inputs. The integrity of the input data is critical to designers, engineers, and researchers for code compliance,validation, and building commissioning long after the simulations are finished. This paper discusses an application that stores inputs needed for building energy modeling in a searchable, indexable, flexible, and scalable database to help address the problem of managing simulation input data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

GraphMeta: Managing HPC Rich Metadata in Graphs

High-performance computing (HPC) systems face increasingly critical metadata management challenges, especially in the approaching exascale era. These challenges arise not only from exploding metadata volumes, but also from increasingly diverse metadata, which contains data provenance and arbitrary user-defined attributes in addition to traditional POSIX metadata. This ‘rich’ metadata is becoming critical to supporting advanced data management functionality such as data auditing and validation. In our prior work, we identified a graph-based model as a promising solution to uniformly manage HPC rich metadata due to its flexibility and generality. However, at the same time, graph-based HPC rich metadata anagement also introduces significant challenges to the underlying infrastructure. In this study, we first identify the challenges on the underlying infrastructure to support scalable, high-performance rich metadata management. Based on that, we introduce GraphMeta, a graphbased engine designed for this use case. It achieves performance scalability by introducing a new graph partitioning algorithm and a write-optimal storage engine. We evaluate GraphMeta under both synthetic and real HPC metadata workloads, compare it with other approaches, and demonstrate its advantages in terms of efficiency and usability for rich metadata management in HPC systems.

Dai, Dong↗
DOE OSTI2024

Analytical methods for online data quality assessment

This chapter provides a comprehensive overview of the main steps for algorithmic sensor signal quality assessment, which can enhance the decision-making process for water resource recovery facility (WRRF) operation and optimization. It introduces the concept of redundancy as the basis for data quality assessment. It also explains the typical data processing pipeline, which consists of preliminary analysis, data pre-processing, and specific algorithmic approaches. Each of these processes is presented and discussed in three separate sections. Importantly, this chapter introduces the main approaches for data quality assessment, provides guidelines for selecting the most suitable one and the key performance indicators to evaluate them and explains how to collect metadata through such an algorithmic approach.

Aguado, Daniel↗
NASA NTRSDate not supplied

Improving GES Disc Data Search and Discovery Through AI Metadata Augmentation

NASA’s Goddard Earth Science (GES) Data and Information Services Center (DISC) is one of twelve data centers in NASA's Science Mission Directorate (SMD), providing vital earth science data to a diverse user base. To enhance the discoverability of this data, GES DISC employs a keyword search system, which leverages scientific keywords embedded in dataset metadata. However, the evolving nature of scientific applications of our data necessitates regular review and augmentation of these keywords. To address this, we developed a service to automatically predict missing science keywords in the metadata. This service constructs a knowledge graph from the latest GES DISC metadata within NASA’s Common Metadata Repository (CMR). Using an open-source library, we trained a machine learning model to predict absent science keywords in the metadata. Our preliminary results indicate that the model has high levels of accuracy at predicting science keywords in the dataset metadata when exposed to data not included in its training. These predicted keywords were then evaluated by GES DISC data curation scientists and compared against other AI tools for metadata augmentation. We aim to enhance the overall usability and accessibility of NASA’s earth science data by implementing this tool in our data curation processes.

Kendall Gilbert↗
DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Sequential Learning with Active Partial Labeling for Building Metadata

Modern buildings are instrumented with thousands of sensing and control points. The ability to automatically extract the physical context of each point, e.g., the type, location, and relationship with other points, is the key to enabling building analytics at scale. However, this process is costly as it usually requires domain expertise with a deep understanding of the building system and its point naming scheme. In this study, we aim to reduce the human effort required for mapping sensors to their context, i.e., metadata mapping. We formulate the problem as a sequential labeling process and use the conditional random field to exploit the regular and dependent structures observed in the metadata. We develop a suite of active learning strategies to adaptively select the most informative subsequences in point names for human labeling, which significantly reduces the inputs from domain experts.We evaluated our approach on three different buildings and observed encouraging performance in metadata mapping from the proposed solution.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Automating the Analysis of Large Language Models Responses through Zero-Shot Question Answering

Recent advancements in Large Language Models (LLMs) have shown significant potential in various applications, yet their evaluation, particularly in zero-shot question answering scenarios, remains a challenging task. In this study, our objective was to explore precision metrics for Large Language Models (LLM) and design and implement a software pipeline to automatically evaluate LLMs' outputs under zero-shot question answering. Zero-shot question answering involves a model providing answers to questions about topics it hasn't seen during training. It leverages the principles of zero-shot learning by relying on semantic understanding and generalization from related knowledge. The data used was metadata from medical databases on congenital heart disease. We explored eleven LLM metrics and selected three for our evaluation: BLEU, BERTScore, and MoverScore. BLEU calculates a score based on the overlap of n-grams (contiguous sequences of n items, typically words) between the machine-generated translation and the reference translations. Higher BLEU scores indicate better correspondence between the machine-generated and human-generated translations. BERTScore is a metric used to evaluate the quality of machine-generated text by measuring the similarity of token embeddings produced by BERT (Bidirectional Encoder Representations from Transformers) between the generated text and reference text. MoverScore is a metric that quantifies the dissimilarity between the distributions of word embeddings from machine-generated text and reference text, emphasizing semantic similarity over exact token overlap. We also introduced HBKI, a composite metric summarizing these approaches. We tested five models —GPT-3, Llama-2, Gemini 1.5 Pro, Solar 10.7B, and Mixtral-8x7b. Our software pipeline, designed and implemented using Object-Oriented Programming principles, allows users to customize the selection and extraction of features for topics of interest in their own research. Our results show that MoverScore delivered the most precise evaluation of the LLM's outputs, while Mixtral-8x7b achieved the best overall performance in extracting metadata from the databases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

TagIt: An Integrated Indexing and Search Service for File Systems

Data services such as search, discovery, and management in scalable distributed environments have traditionally been decoupled from the underlying file systems, and are often deployed using external databases and indexing services. However, modern data production rates, looming data movement costs, and the lack of metadata, entail revisiting the decoupled file system-data services design philosophy.In this paper, we present TagIt, a scalable data management service framework aimed at scientific datasets, which is tightly integrated into a shared-nothing distributed file system. A key feature of TagIt is a scalable, distributed metadata indexing framework, using which we implement a flexible tagging capability to support data discovery. The tags can also be associated with an active operator, for pre-processing, filtering, or automatic metadata extraction, which we seamlessly offload to file servers in a load-aware fashion. Our evaluation shows that TagIt can expedite data search by up to 10X over the extant decoupled approach.

Sim, Hyogi↗
DOE OSTI2023

Templates of expected measurement uncertainties for prompt fission neutron spectra

In this paper, we provide templates of uncertainty sources expected to appear for three measurement types of prompt fission neutron spectra (PFNS): (1) shape measurements, (2) clean-ratio shape, that is the monitor PFNS are measured in nearly exactly the same surrounding as the PFNS of interest, and (3) indirect ratios, where the detector efficiency is backed out from PFNS monitor measurements. Information is also listed that is needed to faithfully include PFNS in nuclear data evaluations to guide experimenters on how to best report data and metadata for their measurements. These templates also suggest a typical range of pertinent uncertainty values and their correlations in case realistic uncertainties cannot be estimated from information on the measurement itself. The templates were based on a literature review, information found in EXFOR for 252 Cf, 235, 238 U, and 239 Pu PFNS, and enhanced by expertise from experimenters contributing to these PFNS templates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Battle of the Defaults: Extracting Performance Characteristics of HDF5 under Production Load

Popular parallel I/O libraries, such as HDF5, provide tuning parameters to obtain superior performance. However, the selection of effective parameters on production systems is complex due to the interdependence of I/O software and file system layers. Hence, application developers typically use the default parameters and often experience poor I/O performance. This work conducts a benchmarking-based analysis on the HDF5 behaviors with a wide variety of I/O patterns to extract performance characteristics under the production workload. To make the analysis well controlled, we exercise I/O benchmarks on POSIX-IO, MPI-IO, and HDF5 using the same I/O patterns and in the same jobs. To address high performance variability in production environments, we repeat the benchmarks across I/O patterns, storage devices, and time intervals. Based on the results, we identified consistent HDF5 behaviors that appropriate configurations and operations on dataset layout and file-metadata placement can improve performance significantly. We apply our findings and evaluate the tuned I/O library on two supercomputers: Summit and Cori. The results show that our tuned parameters can achieve more than 10× I/O performance speedup than that with default parameters on both systems, suggesting the effectiveness, stability, and generality of our solution.

Xie, Bing↗
DOE OSTI2021

OBO Foundry in 2021: operationalizing open data principles to evaluate ontologies

Biological ontologies are used to organize, curate and interpret the vast quantities of data arising from biological experiments. While this works well when using a single ontology, integrating multiple ontologies can be problematic, as they are developed independently, which can lead to incompatibilities. The Open Biological and Biomedical Ontologies (OBO) Foundry was created to address this by facilitating the development, harmonization, application and sharing of ontologies, guided by a set of overarching principles. One challenge in reaching these goals was that the OBO principles were not originally encoded in a precise fashion, and interpretation was subjective. Here, we show how we have addressed this by formally encoding the OBO principles as operational rules and implementing a suite of automated validation checks and a dashboard for objectively evaluating each ontology’s compliance with each principle. This entailed a substantial effort to curate metadata across all ontologies and to coordinate with individual stakeholders. We have applied these checks across the full OBO suite of ontologies, revealing areas where individual ontologies require changes to conform to our principles. Our work demonstrates how a sizable, federated community can be organized and evaluated on objective criteria that help improve overall quality and interoperability, which is vital for the sustenance of the OBO project and towards the overall goals of making data Findable, Accessible, Interoperable, and Reusable (FAIR).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2018

Plaster: An Integration, Benchmark and Development Framework for Heterogeneous Metadata Normalization Methods

The recent advances in the automation of metadata normalization and the invention of a unified schema — Brick — alleviate the metadata normalization challenge for deploying portable applications across buildings. Yet, the lack of compatibility between existing metadata normalization methods precludes the possibility of comparing and combining them. While generic machine learning (ML) frameworks, such as MLJAR and OpenML, provide versatile interfaces for standard ML problems, they cannot easily accommodate the metadata normalization tasks for buildings due to the heterogeneity in the inference scope, type of data required as input, evaluation metric, and the building-specific human-in-the-loop learning procedure. We propose Plaster, an open and modular framework that incorporates existing advances in building metadata normalization. It provides unified programming interfaces for various types of learning methods for metadata normalization and defines standardized data models for building metadata and timeseries data. Thus, it enables the integration of different methods via a workflow, benchmarking of different methods via unified interfaces, and rapid prototyping of new algorithms. With Plaster, we 1) show three examples of the workflow integration, delivering better performance than individual algorithms, 2) benchmark/analyze five algorithms over five common buildings, and 3) exemplify the process of developing a new algorithm involving time series features. We believe Plaster will facilitate the development of new algorithms and expedite the adoption of standard metadata schema such as Brick, in order to enable seamless smart building applications in the future.

99 GENERAL AND MISCELLANEOUS↗