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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sources NASA NTRS DOE OSTI

DOE OSTI2015

Automatic building information model query generation

Energy efficient building design and construction calls for extensive collaboration between different subfields of the Architecture, Engineering and Construction (AEC) community. Performing building design and construction engineering raises challenges on data integration and software interoperability. Using Building Information Modeling (BIM) data hub to host and integrate building models is a promising solution to address those challenges, which can ease building design information management. However, the partial model query mechanism of current BIM data hub collaboration model has several limitations, which prevents designers and engineers to take advantage of BIM. To address this problem, we propose a general and effective approach to generate query code based on a Model View Definition (MVD). This approach is demonstrated through a software prototype called QueryGenerator. In conclusion, by demonstrating a case study using multi-zone air flow analysis, we show how our approach and tool can help domain experts to use BIM to drive building design with less labour and lower overhead cost.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Query Relaxation for LLM-Generated SPARQL Queries over Building Knowledge Graphs

When Knowledge Graph (KG) queries fail to match a pattern in a KG, they return no results. Identifying the statements causing these failures is tedious, especially for LLM-generated queries, which tend to be longer and more complex than queries written by hand. Query relaxation addresses this by systematically loosening query constraints until results are recovered. To evaluate the effectiveness of query relaxation against LLM generated queries, we propose a two-stage relaxation method combining triple deletion and path relaxation and test it against 1,823 failed queries for building KGs.

Paul, Lazlo↗

DOE OSTI2023

CrossLink: Geometry API [Slides]

The mesh generation process is very challenging and time consuming when working with complex CAD models. The process of creating and sorting geometric entities into groups appropriate for meshing is labor intensive and prone to error. In addition, the common data exchange formats such as STEP and IGES do not propagate information such as entity names that may be defined in the original model. Finally, entity counts change frequently with parameter variation as a result of tolerance-based geometry operations. Thus, sorting by index does not provide a robust and repeatable means for grouping. xGeom is a geometry library that enables the creation of NURBS curves and surfaces via a python scripting interface. xGeom is ideal for studying relatively simple models and is fully integrated with CrossLink’s mesh generation capabilities. For more complex models, xCAD is a python-based Creo Parametric CAD model driver that enables the model to be generated, queried, parametrically modified, regenerated, and exported without data loss and in a fully repeatable manner.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

The SQL Query Used to Generate the Report

Marilyn mentioned that we will need to submit the SQL query to a review in order to ensure it is releasable to the IG. To whom should the SQL query be submitted? Please find the SQL query below.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

GRACC: GRid ACcounting Collector

The OSG has long maintained a central accounting system called Gratia. It uses small probes on each computing and storage resource in order to collect resource usage. The probes report to a central collector which stores the usage in a database. The database is then queried to generate reports. As the OSG aged, the size of the database grew very large. It became too large for the database technology to efficiently query to generate detailed reports. The design of a replacement requires data storage that could be queried efficiently to generate multi-year reports. Additionally, it requires flexibilityto add new attributes to the collected data.In this paper we will describe updates to the GRACC architecture in the last 18 months. GRACC uses modern web technologies that were designed for large data storage, query, and visualization. That includes the open source database Elasticsearch, message broker software RabbitMQ, and Grafana and Kibana as data visualization platforms. It uses multiple agents that perform operations on the data to transform it for easier querying and summarization.

Weitzel, Derek↗

DOE OSTI2018

Social media based NPL system to find and retrieve ARM data: Concept paper

Information connectivity and retrieval has a role in our daily lives. The most pervasive source of online information is databases. The amount of data is growing at rapid rate and database technology is improving and having a profound effect. Almost all online applications are storing and retrieving information from databases. One challenge in supplying the public with wider access to informational databases is the need for knowledge of database languages like Structured Query Language (SQL). Although the SQL language has been published in many forms, not everybody is able to write SQL queries. Another challenge is that it may not be practical to make the public aware of the structure of the database. There is a need for novice users to query relational databases using their natural language. To solve this problem, many natural language interfaces to structured databases have been developed. The goal is to provide more intuitive method for generating database queries and delivering responses. Social media makes it possible to interact with a wide section of the population. Through this medium, and with the help of Natural Language Processing (NLP) we can make the data of the Atmospheric Radiation Measurement Data Center (ADC) more accessible to the public. We propose an architecture for using Apache Lucene/Solr [1], OpenML [2,3], and Kafka [4] to generate an automated query/response system with inputs from Twitter5, our Cassandra DB, and our log database. Using the Twitter API and NLP we can give the public the ability to ask questions of our database and get automated responses.

Devarakonda, Ranjeet↗

DOE OSTI2026

datasight [SWR-26-045]

This software is an AI-powered data exploration with natural language. datasight connects an AI agent to your database and provides a web UI where you can ask questions in natural language. The agent writes SQL, runs queries, and generates interactive Plotly visualizations. Supports DuckDB, PostgreSQL, SQLite, and Flight SQL databases. Also queries local CSV and Parquet files directly — no database setup required. Supports Anthropic Claude (default), GitHub Models (open source), and Ollama (local) as LLM backends.

Thom, Daniel [National Laboratory of the Rockies (↗

DOE OSTI2024

ATCCfinder - Download and Search the ATCC Genome Portal

Much strain-specific sequence data exists in research conducted before the deployment of large sequencing repositories, making it challenging to identify and validate the identity of strains used in these studies through bioinformatics and phenotyping. The American Type Culture Collection (ATCC) is an organization that sells a wide variety of microbes with strain-level taxonomy classification and associated sequenced reference genomes. Currently, ATCC does not provide a method for searching for sequence similarity between a query sequence and their database of reference genomes. Here I propose the software ATCCfinder, which utilizes ATCC application interface software (API) to generate query-able databases from ATCC Genome resources.

Koehler, Samuel↗

DOE OSTI2018

Machine Learning and Social Media to Mine and Disseminate Big Scientific Data

One of the challenges in supplying the communities with wider access to scientific databases is the need for knowledge of database languages like Structured Query Language (SQL). Although the SQL language has been published in many forms, not everybody is able to write SQL queries. Another challenge is that it might not be practical to make the public aware of the structure of databases. There is a need for novice users to query relational databases using their natural language. To solve this problem, many natural language interfaces to structured databases have been developed. The goal is to provide a more intuitive method for generating database queries and delivering responses. Through social media, which makes it possible to interact with a wide section of the population, and with the help of natural language processing, researchers at the Atmospheric Radiation Measurement (ARM) Data Center at Oak Ridge National Laboratory (ORNL) have developed a concept to enable easy search and retrieval of data from several environmental data centers for the scientific community through social media.Using a machine learning framework that maps natural language text to thousands of datasets, instruments, variables, and data streams, the prototype system would allow users to request data through Twitter and receive a link (via tweet) to applicable data results on the project's search catalog tailored to their key words. This automated identification of relevant data from various petascale archives at ORNL could increase convenience, access, and use of the project's data by the broader community. In this paper we discuss how some data-intensive projects at ORNL are using innovative ways to help in data discovery.

Devarakonda, Ranjeet↗

DOE OSTI2025

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗

DOE OSTI2025

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Mulayim, Ozan Baris↗

DOE OSTI2020

The IsoGenie database: an interdisciplinary data management solution for ecosystems biology and environmental research

Modern microbial and ecosystem sciences require diverse interdisciplinary teams that are often challenged in “speaking” to one another due to different languages and data product types. Here we introduce the IsoGenie Database, a de novo developed data management and exploration platform, as a solution to this challenge of accurately representing and integrating heterogenous environmental and microbial data across ecosystem scales. The IsoGenieDB is a public and private data infrastructure designed to store and query data generated by the IsoGenie Project, a ~10 year DOE-funded project focused on discovering ecosystem climate feedbacks in a thawing permafrost landscape. The IsoGenieDB provides (i) a platform for IsoGenie Project members to explore the project’s interdisciplinary datasets across scales through the inherent relationships among data entities, (ii) a framework to consolidate and harmonize the datasets needed by the team’s modelers, and (iii) a public venue that leverages the same spatially explicit, disciplinarily integrated data structure to share published datasets. The IsoGenieDB is also being expanded to cover the NASA-funded Archaea to Atmosphere (A2A) project, which scales the findings of IsoGenie to a broader suite of Arctic peatlands, via the umbrella A2A Database (A2A-DB). The IsoGenieDB’s expandability and flexible architecture allow it to serve as an example ecosystems database.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Increasing the Scale of the Mass Spectrometry Query Language Compendium with Explainable AI

A significant bottleneck in metabolomics data interpretation is the effective use of domain knowledge to assign structural information based on fragmentation patterns. The mass spectrometry query language (MassQL) aims to make this process accessible and applicable across multiple analysis platforms. While advanced computational methods are capable of predicting compound structures from fragmentation data, AI/ML approaches often rely on complex, opaque criteria that are difficult to interpret or modify. As a result, their predictive patterns cannot be readily translated into human-readable rules, such as those used in MassQL. Here, in this study, we introduce ChemEcho, a machine learning embedding method that converts tandem mass spectrometry data into sparse feature vectors containing peak and neutral mass subformulae to enhance explainable AI/ML-based methods. An advantage of this approach is that decision trees trained using these feature vectors can be directly translated to MassQL. Using a battery of decision trees trained using ChemEcho embeddings to predict molecular attributes, we generated over 1500 MassQL queries for 765 molecular features and evaluated their precision and recall. From these queries, the 50 highest-performing queries were integrated into the MassQL compendium. This set of generated MassQL queries included environmentally and biologically relevant classes such as PFAS and molecules containing phosphate or sulfate substructures. To illustrate the impact these queries would have on a typical metabolomics experiment, these MassQL queries were applied to a public metabolomics data set─resulting in a marked increase in the structural information derived from tandem mass spectra. Access and reuse of these queries is expected to enhance structural annotation in untargeted experiments, leading to more specific claims and advancing many applications in metabolomics.

Harwood, Thomas V. [USDOE Joint Genome Institute (↗

DOE OSTI2018

ENRESA's Spent Nuclear Fuel and Special Waste Database - 18115

Empresa Nacional de Residuos Radiactivos S.A. (ENRESA, by its initials in Spanish) Spent Nuclear Fuel (SNF) and Special Waste (SW) database development was initiated in a common effort between ENRESA and UNESA (the Spanish Association of the Electricity Industry) as a consequence of new regulatory requirements in the frame of radioactive waste management plans. Although these requirements were only mandatory for operators of nuclear power plants, ENRESA deemed necessary to have a centralized database which collected the data from the plant operators. The most relevant features of this database are: - The information collected covers not only the general characteristics of the SNF and SW but also the operation details needed for their characterization. - An application, named Gestion de Elementos Combustibles y Residuos Especiales (GECYRE, by its initials in Spanish) has been implemented for easing the queries and the generation of predefined reports. - An agile data transfer scheme, based on XML files, is used for an effective communication between ENRESA and the operators. The database is currently in production phase since 2014. During this phase it has demonstrated its effectiveness as an information repository to address the SNF and SW interim storage projects in Spain foreseen in the near future. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Synthetic Transaction Test Generator for Websites

Python script for querying a list of web sites and their details from Splunk and dynamically creating tests for monitoring uptime. The data generated from this script is then sent back to Splunk for creating reports and alerts.

Brown, Justin↗

DOE OSTI2017

Synthetic Transaction Test Generator for Websites

Source record↗

DOE OSTI2021

GRIP: Constraint-based Explanation of Missing Answers for Graph Queries

Abstract: A useful feature in graph query engines is to clarify “Why certain entities (nodes, attribute values or edges) are missing” in query answers. This task is even more challenging when the relevant data is already missing in the underlying data source. Missing data, on the other hand, can be inferred by enforcing data constraints for graphs. We demonstrate GRIP, a system that exploits data constraints to clarify missing answers for graph queries. (1) Constraint-based ex- planation. Given a desired yet missing entity in the query answer, GRIP ensures to generate finite and minimal sequences of data con- strains (an “explanation”) that should be consecutively enforced to ?? to ensure its occurrence for the same query. (2) Answering “why” and“how” questions. Users can query GRIP with both“Why”(“Why” the element is missing) and “How” questions (“How” to refine the graph to include the missing answer). GRIP engine supports run- time generation of explanations by incrementally maintaining a set of bi-directional search trees. (3) Interactive exploration. GRIP provides a user-friendly GUI to support interactive ad visual exploration of explanations, including both automated generation and step-by-step inspection of graph manipulations.

graphs↗

DOE OSTI2020

Data-Consistent Inversion for Stochastic Input-to-Output Maps

Data-consistent inversion is a recently developed measure-theoretic framework for solving a stochastic inverse problem involving models of physical systems. The goal is to construct a probability measure on model inputs (i.e., parameters of interest) whose associated push-forward measure matches (i.e., is consistent with) a probability measure on the observable outputs of the model (i.e., quantities of interest). Previous implementations required the map from parameters of interest to quantities of interest to be deterministic. This work generalizes this framework for maps that are stochastic, i.e., contain uncertainties and variation not explainable by variations in uncertain parameters of interest. Generalizations of previous theorems of existence, uniqueness, and stability of the data-consistent solution are provided while new theoretical results address the stability of marginals on parameters of interest. A notable aspect of the algorithmic generalization is the ability to query the solution to generate independent identically distributed samples of the parameters of interest without requiring knowledge of the so-called stochastic parameters. This work therefore extends the applicability of the data-consistent inversion framework to a much wider class of problems. This includes those based on purely experimental and field data where only a subset of conditions are either controllable or can be documented between experiments while the underlying physics, measurement errors, and any additional covariates are either uncertain or not accounted for by the researcher. Finally, numerical examples demonstrate application of this approach to systems with stochastic sources of uncertainties embedded within the modeling of a system and a numerical diagnostic is summarized that is useful for determining if a key assumption is verified among competing choices of stochastic maps.

97 MATHEMATICS AND COMPUTING↗