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DOE OSTI2022

EXSCLAIM!

Due to recent improvements in image resolution and acquisition speed, materials microscopy is experiencing an explosion of published imaging data. The standard publication format, while sufficient for traditional data ingestion scenarios where a select number of images can be critically examined and curated manually, is not conducive tolarge-scale data aggregation or analysis, hindering data sharing and reuse. Most images in publications are presented as components of a larger figure with their explicit context buried in the main body or caption text, so even if aggregated, collections of images with weak or no digitized contextual labels have limited value. To solve the problem of curating labeled microscopy data from literature, we introduce the EXSCLAIM! Python toolkit for the automatic EXtraction, Separation, and Caption-based natural Language Annotation of IMages from scientific literature. The software is implemented through a three part pipeline: the JournalScraper, which searches the web and downloads figures and captions based on a user provided query, the CaptionDistributor, which separates caption text based on the subfigure each portion of the caption refers to, and the FigueSeparator, which separates figures into component subfigures and extracts other visual information. Also included is a Django user interface for exploring the resulting dataset.

CHAN, MARIA↗

DOE OSTI2020

Leveraging Environmental Monitoring Results from Department of Energy Sites for Research on the Food-Energy-Water Nexus

The Annual Site Environmental Report (ASER) from a U.S. Department of Energy (DOE) Site summarizes environmental data; environmental management performance; compliance with applicable DOE, federal, state, and local regulations; and restoration and surveillance monitoring programs. The Savannah River Site (SRS) produces ASERs that include results of monitoring mercury levels in fish samples obtained in the vicinity of SRS. Mercury is a toxic trace metal and the methylated organic form is a neurotoxin that bioaccumulates in the food web, endangering humans and other organisms. In United States, power plants are the largest source of mercury emissions. Research Objective: To determine the patterns of mercury levels in fish samples reported in the SRS environmental monitoring reports. We developed box plot visualizations to make sense of the data as well as identify fish species, dates and location with outlier mercury content. The integration and visual representation of multi-year datasets can support decision making processes on environmental compliance and environmental sustainability conducted at U.S. DOE Sites. We are constructing datasets from textual, image and multivariable data sources in the multi-year ASERs of the U.S. DOE Savannah River Site (SRS https://www.srs.gov/general/pubs/ERsum/index.html). The Fish Surveillance for mercury presents a case study for the intersection of food, energy and water systems. The dataset of 864 records (2008 and 2009) of mercury levels includes water location of fish, fish species, collection date and mercury content of fish sample. The patterns of mercury levels in the fish species as well as locations provide knowledge for further investigations. A research area for future studies is the composition of microbial communities in fish guts of varying levels of mercury.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Low-Income Energy Affordability Data (LEAD) Tool Methodology

Methodology document describing the underlying data and analysis behind the Low-income Energy Affordability Data (LEAD) Tool, a web-accessible, interactive platform developed by U.S. Department of Energy and National Renewable Energy Laboratory that allows users to build their own national, state, city, or county profiles with estimated, locally specific low-income household energy characteristics. Users are able to visualize the profiles as well as compare differences among profiles. In addition, users will be able to save their profiles and download visualizations and data. characteristics. Users are able to visualize the profiles as well as compare differences among profiles. In addition, users will be able to save their profiles and download visualizations and data.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

A new database website for nuclear level densities

We introduce a new open-access, web-based database (http://nld.ascsn.net), Current Archive of Nuclear Density of Levels (CANDL), that hosts experimental nuclear level density (NLD) datasets from a variety of techniques and energy ranges. Built using the Dash framework in Python, the database is designed to be interactive and user-friendly, allowing researchers to search, visualize, fit, and export NLD data with minimal effort. This resource includes data extracted from evaporation spectra, Oslo method variants, and other experimental techniques that cover excitation energies beyond the neutron resonance region. The database supports on-the-fly fitting with two widely-used phenomenological models—the Constant Temperature (CT) model and the Back-Shifted Fermi Gas (BSFG) model—selected for their simplicity and computational efficiency. Future versions aim to include additional datasets and model types, as well as easy-to-use interfaces to data science techniques. Here, this platform offers a vital tool for the nuclear physics, astrophysics, medicine, and reactor design communities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Supporting cost-effective watershed management strategies for Chesapeake Bay using a modeling and optimization framework

Extensive efforts to adaptively manage nutrient pollution rely on Chesapeake Bay Program’s (Phase 6) Watershed Model, called Chesapeake Assessment Scenario Tool (CAST), which helps decision-makers plan and track implementation of Best Management Practices (BMPs). We describe mathematical characteristics of CAST and develop a constrained nonlinear BMP-subset model, software, and visualization framework. This represents the first publicly available optimization framework for exploring least-cost strategies of pollutant load control for the United States’ largest estuary. The optimization identifies implementation options for a BMP subset modeled with load reduction effectiveness factors, and the web interface facilitates interactive exploration of >30,000 solutions organized by objective, nutrient control level, and for ~200 counties. We assess framework performance and demonstrate modeled cost improvements when comparing optimization-suggested proposals with proposals inspired by jurisdiction plans. Stakeholder feedback highlights the framework’s current utility for investigating cost-effective tradeoffs and its usefulness as a foundation for future analysis of restoration strategies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

WELLBASE - An Interactive Platform for Wellbore Material Assessment

This project seeks to build an open-source wellbore material data repository with adequate material performance and contextual data to support Geological Carbon Storage (GCS). By appropriately evaluating the data types as mentioned earlier made available by the WELLBASE tool, stakeholders can make more informed decisions regarding well selections, risk assessment, and economic analysis for geologic carbon storage projects. Advanced Natural Language Processing models and other custom python scripts will be deployed in an automated process to extract unstructured data from documents, reports, and web applications and subsequently parse to more usable formats. The processed data will then be integrated into a robust and comprehensive database architecture, optimizing data accessibility, and usability for analytical purposes. The final data products will be accessible through a user-friendly visualization platform that will allow users to query and visualize the data, as well as download data in usable formats.

Tetteh, Daniel A.↗

DOE OSTI2021

Integrated, Interoperable Software Environment for Fusion Simulation and Data Analysis Tools SBIR Phase II

This SBIR effort was focused on developing a production ready system to address the integration and interoperability challenges with analysis and visualization in fusion simulations. Our overarching technical objective was to minimize the code development simulation scientists incur when coupling their simulation codes with different analysis frameworks. To this end, we developed an open-source software library to make data exchange between application easier and a Web application to manage and display analysis extracts from simulations. We have also augmented existing libraries funded by DOE such as ADIOS and VTK-m. When used together, these make it significantly easier to integrate simulation and analysis capability. We demonstrated the flexibility of our approach using two common simulation codes in the fusion community, XGC1 and GTC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

RNAcentral 2021: secondary structure integration, improved sequence search and new member databases

RNAcentral is a comprehensive database of non-coding RNA (ncRNA) sequences that provides a single access point to 44 RNA resources and >18 million ncRNA sequences from a wide range of organisms and RNA types. RNAcentral now also includes secondary (2D) structure information for >13 million sequences, making RNAcentral the world’s largest RNA 2D structure database. The 2D diagrams are displayed using R2DT, a new 2D structure visualization method that uses consistent, reproducible and recognizable layouts for related RNAs. The sequence similarity search has been updated with a faster interface featuring facets for filtering search results by RNA type, organism, source database or any keyword. This sequence search tool is available as a reusable web component, and has been integrated into several RNAcentral member databases, including Rfam, miRBase and snoDB. To allow for a more fine-grained assignment of RNA types and subtypes, all RNAcentral sequences have been annotated with Sequence Ontology terms. The RNAcentral database continues to grow and provide a central data resource for the RNA community. RNAcentral is freely available at https://rnacentral.org.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Estimating vehicle fuel economy from overhead camera imagery and application for traffic control

In this work, we explore the ability to estimate vehicle fuel consumption using imagery from overhead fisheye lens cameras deployed as traffic sensors. We utilize this information to simulate vision-based control of a traffic intersection, with a goal of improving fuel economy with minimal impact to mobility. We introduce the ORNL Overhead Vehicle Dataset (OOVD), consisting of a data set of paired, labeled vehicle images from a ground-based camera and an overhead fisheye lens traffic camera. The data set includes segmentation masks based on Gaussian mixture models for vehicle detection. We show the dataset utility through three applications: the estimate of fuel consumption based on segmentation bounding boxes, vehicle discrimination for those vehicles with largest bounding boxes, and a fine-grained classification on a limited number of vehicle makes and models using a pre-trained set of convolutional neural network models. We compare these results with estimates based on a large open-source data set based on web-scraped imagery. Finally, we show the utility of the approach using reinforcement learning in a traffic simulator using the open source Simulation of Urban Mobility (SUMO) package. Our results show the feasibility of the approach for controlling traffic lights for better fuel efficiency based solely on visual vehicle estimates from commercial, fisheye lens cameras.

Karnowski, Thomas↗

DOE OSTI2016

Dial-A-Cluster

Dial-A-Cluster is a web application that can be used to interactively analyze multi-variate time series data. It supports multiple users, DOE markings, and user authentication. It is designed to let the user adjust the influence of particular time series in the dataset, interact with the resulting dimension reduced visualization, interact with the time series themselves, and look for correlations of the data with any available meta-data.

Martin, Shawn↗

DOE OSTI2014

Intergalactic medium emission observations with the cosmic web imager. II. Discovery of extended, kinematically linked emission around SSA22 Lyα BLOB 2

The intergalactic medium (IGM) is the dominant reservoir of baryons, delineates the large-scale structure of the universe at low to moderate overdensities, and provides gas from which galaxies form and evolve. Simulations of a cold-dark-matter- (CDM-) dominated universe predict that the IGM is distributed in a cosmic web of filaments and that galaxies should form along and at the intersections of these filaments. While observations of QSO absorption lines and the large-scale distribution of galaxies have confirmed the CDM paradigm, the cosmic web of IGM has never been confirmed by direct imaging. Here we report our observation of the Lyα blob 2 (LAB2) in SSA22 with the Cosmic Web Imager (CWI). This is an integral field spectrograph optimized for low surface brightness, extended emission. With 22 hr of total on- and off-source exposure, CWI has revealed that LAB2 has extended Lyα emission that is organized into azimuthal zones consistent with filaments. We perform numerous tests with simulations and the data to secure the robustness of this result, which relies on data with modest signal-to-noise ratios. We have developed a smoothing algorithm that permits visualization of data cube slices along image or spectral image planes. With both raw and smoothed data cubes we demonstrate that the filaments are kinematically associated with LAB2 and display double-peaked profiles characteristic of optically thick Lyα emission. The flux is 10-20 times brighter than expected for the average emission from the IGM but is consistent with boosted fluorescence from a buried QSO or gravitation cooling radiation. Using simple emission models, we infer a baryon mass in the filaments of at least 1-4 × 10{sup 11} M {sub ☉}, and the dark halo mass is at least 2 × 10{sup 12} M {sub ☉}. The spatial-kinematic morphology is more consistent with inflow from the cosmic web than outflow from LAB2, although an outflow feature maybe present at one azimuth. LAB2 and the surrounding gas have significant and coaligned angular momentum, strengthening the case for their association.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Time-series metagenomics reveals changing protistan ecology of a temperate dimictic lake

Abstract Background Protists, single-celled eukaryotic organisms, are critical to food web ecology, contributing to primary productivity and connecting small bacteria and archaea to higher trophic levels. Lake Mendota is a large, eutrophic natural lake that is a Long-Term Ecological Research site and among the world’s best-studied freshwater systems. Metagenomic samples have been collected and shotgun sequenced from Lake Mendota for the last 20 years. Here, we analyze this comprehensive time series to infer changes to the structure and function of the protistan community and to hypothesize about their interactions with bacteria. Results Based on small subunit rRNA genes extracted from the metagenomes and metagenome-assembled genomes of microeukaryotes, we identify shifts in the eukaryotic phytoplankton community over time, which we predict to be a consequence of reduced zooplankton grazing pressures after the invasion of a invasive predator (the spiny water flea) to the lake. The metagenomic data also reveal the presence of the spiny water flea and the zebra mussel, a second invasive species to Lake Mendota, prior to their visual identification during routine monitoring. Furthermore, we use species co-occurrence and co-abundance analysis to connect the protistan community with bacterial taxa. Correlation analysis suggests that protists and bacteria may interact or respond similarly to environmental conditions. Cryptophytes declined in the second decade of the timeseries, while many alveolate groups (e.g., ciliates and dinoflagellates) and diatoms increased in abundance, changes that have implications for food web efficiency in Lake Mendota. Conclusions We demonstrate that metagenomic sequence-based community analysis can complement existing efforts to monitor protists in Lake Mendota based on microscopy-based count surveys. We observed patterns of seasonal abundance in microeukaryotes in Lake Mendota that corroborated expectations from other systems, including high abundance of cryptophytes in winter and diatoms in fall and spring, but with much higher resolution than previous surveys. Our study identified long-term changes in the abundance of eukaryotic microbes and provided context for the known establishment of an invasive species that catalyzes a trophic cascade involving protists. Our findings are important for decoding potential long-term consequences of human interventions, including invasive species introduction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

macroMS: Image-Guided Analysis of Random Objects by Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass Spectrometry

Mass spectrometry imaging is well-suited to characterizing sample surfaces for their chemical content in a spatially resolved manner. However, when the surface contains small objects with significant empty spaces between them, more efficient approaches to sample acquisition are possible. Image-guided mass spectrometry (MS) enables high-throughput analysis of a diverse range of sample types, such as microbial colonies, liquid microdroplets, and others, by recognizing and analyzing selected location targets in an image. Here, we describe an imaging protocol and macroMS, an online software suite that can be used to enhance MS measurements of macroscopic samples that are imaged by a camera or a flatbed scanner. Furthermore, the web-based tool enables users to find and filter targets from the optical images, correct optical distortion issues for improved spatial location of selected targets, input the custom geometry files into an MS device to acquire spectra at the selected locations, and finally, perform limited data analysis and use visualization tools to aid locating samples containing compounds of interest. Using the macroMS suite, an enzyme mutant library of Saccharomyces cerevisiae and nL droplet arrays of Escherichia coli and Pseudomonas fluorescens have been assayed at a rate of ~2 s/sample.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

Scientific & Intelligence Exascale Visualization Analysis System

SIEVAS provides an immersive visualization framework for connecting multiple systems in real time for data science. SIEVAS provides the ability to connect multiple COTS and GOTS products in a seamless fashion for data fusion, data analysis, and viewing. It provides this capability by using a combination of micro services, real time messaging, and web service compliant back-end system.

Money, JamesH.↗

DOE OSTI2024

Mapping Support for Targeted Critical Minerals Exploration and Extraction

The United States’ dependency on imported minerals poses significant risks to economic stability and national security due to potential supply disruptions. Recognizing the strategic importance of critical minerals, the Department of Energy (DOE) emphasizes the need for a secure and resilient supply chain to support emissions reduction, technology development, and capitalization on clean energy opportunities. The DOE’s Office of Manufacturing and Energy Supply Chains (MESC), in collaboration with the Office of Policy (OP), addresses these vulnerabilities by focusing on upstream domestic critical minerals production, balancing extraction with social and environmental goals, including conservation, environmental justice, and respect for Tribal sovereignty. This report showcases a collaborative effort involving Idaho National Laboratory (INL), Argonne National Laboratory (Argonne), National Renewable Energy Laboratory (NREL), and the U.S. Geological Survey (USGS) to map mineral development potential along with key social and environmental datasets. A geographical information system (GIS)-based web map application was developed as a preliminary tool for environmental analysis, integrating 158 geospatial data layers such as critical habitat, land ownership, economic indicators, and environmental concerns. Data were sourced from agencies like the Bureau of Land Management (BLM) and USGS and processed using GIS technology to enhance visualization and analysis. The proposed analysis framework categorizes areas into high, mid, and low concern based on withdrawn lands, special status species, the Economic Development Capacity Index (EDCI) Mining Composite Index, and the Climate and Economic Justice Screening Tool (CEJST). While the application provides broad visualizations, it is not a substitute for detailed environmental reviews required under the National Environmental Policy Act (NEPA). Users must conduct further analyses and engage with tribal entities and other stakeholders for comprehensive planning. A case study of the Idaho Cobalt Belt (ICB) in Lemhi County, Idaho, has been provided in the report to illustrate the tool's practical use. This report introduces a GIS application and framework to support stakeholders in identifying and prioritizing areas for critical mineral exploration, promoting secure supply chains, and advancing the nation's energy independence through responsible resource stewardship.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

An Overview of the Database Framework for GEM Detector under CMS Experiment at CERN

In this paper, we give an overview of the database framework which we have developed for the Gas Electron Multiplier (GEM) Detector at CERN. The GEM constitutes a powerful addition to the family of fast radiation detectors; originally developed for particle physics experiments, and has spawned a large number of developments and applications. The GEM database framework comprises four components. The first component is the database itself. There are three instances of the database which have been deployed. One is for the development purpose which contains test data, other one is for the integration purposes while the last one is for the production purpose which contains real data. The database further comprises various schemas and each schema consists of different tables in it. We use separate schemas for various types of tables. The second component of the database framework is called DB Loader. The DB Loader is used to load data into database. The data is prepared in the predefined format which is in the XML form. Then the xml file is copied into a spool area of the server in which DB loader is running. Once the file is copied, the DB Loader loads the file into the database. The loader returns appropriate status codes after performing database insertion/update operation. The status of the database operations is checked against the status code which is returned by the loader. The third component of the database framework comprises graphical user interface (GUI). This is a web-based interface which can be accessed from the internet. This interface is basically used for the detector construction and to perform various quality control tests on the detector and its components. The last component of the database framework is called online monitoring system (OMS). The OMS is data visualization framework for the various detectors of the CMS experiment at CERN. It is also used to display data for the GEM. It enables users to view and retrieve database contents without having to learn database specifics.

Imran, Muhammad↗

DOE OSTI2017

Scientific & Intelligence Exascale Visualization Analysis System

Money, James H.↗

DOE OSTI2023

BinaRena: a dedicated interactive platform for human-guided exploration and binning of metagenomes

Background: Exploring metagenomic contigs and “binning” them into metagenome-assembled genomes (MAGs) are essential for the delineation of functional and evolutionary guilds within microbial communities. Despite the advances in automated binning algorithms, their capabilities in recovering MAGs with accuracy and biological relevance are so far limited. Researchers often find that human involvement is necessary to achieve representative binning results. This manual process however is expertise demanding and labor intensive, and it deserves to be supported by software infrastructure. Results: We present BinaRena, a comprehensive and versatile graphic interface dedicated to aiding human operators to explore metagenome assemblies via customizable visualization and to associate contigs with bins. Contigs are rendered as an interactive scatter plot based on various data types, including sequence metrics, coverage profiles, taxonomic assignments, and functional annotations. Various contig-level operations are permitted, such as selection, masking, highlighting, focusing, and searching. Binning plans can be conveniently edited, inspected, and compared visually or using metrics including silhouette coefficient and adjusted Rand index. Completeness and contamination of user-selected contigs can be calculated in real time. In demonstration of BinaRena’s usability, we show that it facilitated biological pattern discovery, hypothesis generation, and bin refinement in a complex tropical peatland metagenome. It enabled isolation of pathogenic genomes within closely related populations from the gut microbiota of diarrheal human subjects. It significantly improved overall binning quality after curating results of automated binners using a simulated marine dataset. Conclusions: BinaRena is an installation-free, dependency-free, client-end web application that operates directly in any modern web browser, facilitating ease of deployment and accessibility for researchers of all skill levels. The program is hosted at https://github.com/qiyunlab/binarena, together with documentation, tutorials, example data, and a live demo. It effectively supports human researchers in intuitive interpretation and fine tuning of metagenomic data.

59 BASIC BIOLOGICAL SCIENCES↗