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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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At least 217 records · Page 12

A Circularity Assessment for Silicon Solar Panels Based on Dynamic Material Flow Analysis

Solar photovoltaics (PV) are the fastest growing renewable energy technology for clean, inexpensive, and sustainable electricity generation. Along with numerous technical roadmaps to improve system cost, performance and reliability, the PV industry should also plan to handle large volumes of silicon panel waste, which is initially estimated to be ~13 million metric tons (MT) by 2050 in the U.S. alone. Understanding the magnitude of material needs and how material flows throughout the PV panel life cycle could respond to design, operational and different end-of-life (EOL) circular pathways will help transition into a circular, resource-conserving economy. Herein, we introduce a dynamic material flow analysis (DMFA) framework based on electricity generation to quantify time-series stocks and flows of bulk PV materials (e.g., solar glass and aluminum frames) throughout the life cycles of utility-scale silicon PV systems in the U.S. in the period 2000-2100. We apply the model to a range of scenarios to understand how material demands depend on selected PV-related parameters, different material circularity strategies, and recent module design trends (e.g., bifacial, frameless). We found that float glass and aluminum in PV installations would likely reach 100 million MT and 12 million MT by 2100, respectively, in the baseline scenario. The most influential parameters for PV installation and subsequent waste reduction are found to be module lifetime, module efficiency, annual degradation, and material reduction. Module recycling and component remanufacturing were found to be the most effective material circularity strategies for waste minimization. Panel reuse has negligible savings on waste under current module efficiencies compared to replacements with newer generations with higher efficiency. Ongoing trends to produce larger power frameless modules could save 10 million MT of glass and ~9 million MT of aluminum. Our results enable advanced planning for future materials needs and provide insight into potential opportunities to minimize waste.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Approximate entropy analysis for nonlinear beam dynamics

In this paper, we applied an approximate entropy (ApEn) analysis to nonlinear beam dynamics. Due to the presence of strong nonlinear magnets, the degree of chaos in beam motion gradually increases proportionally with its amplitude. Such chaos can be quantitatively characterized with ApEn of beam turn-by-turn readings. ApEn analysis is a technique used to quantify the amount of regularity and the unpredictability of fluctuations with respect to time-series data. The ApEn, when applied as a chaos indicator, can then be used for nonlinear lattice optimization and analysis. The National Synchrotron Light Source II (NSLS-II) electron storage ring lattice was used as an example of a real-world application of our technique. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Approximate Entropy Analysis for Nonlinear Beam Dynamics

In this paper, we applied an approximate entropy (ApEn) analysis to nonlinear beam dynamics. Due to the presence of strong nonlinear magnets, the degree of chaos in beam motion gradually increases proportionally with its amplitude. Such chaos can be quantitatively characterized with ApEn of beam turn-by-turn readings. ApEn analysis is a technique used to quantify the amount of regularity and the unpredictability of fluctuations with respect to time-series data. The ApEn, when applied as a chaos indicator, can then be used for nonlinear lattice optimization and analysis. The National Synchrotron Light Source II (NSLS-II) electron storage ring lattice was used as an example of a real-world application of our technique.

43 PARTICLE ACCELERATORS↗

Do we have globally representative data to understand soil processes?

Understanding and modeling soils and soil organic matter (SOM) are central to a variety of human needs, from food production to ecosystem management. Soil data have been collected for over a century, but the global spatial and process representativeness of soil data remains unclear. We assessed the representativeness of currently available soil data that could be used to understand a variety of SOM processes. We used 16 open-source soil databases and data from over 281,000 unique locations globally, categorizing the databases into three main data types necessary to understand SOM processes: soil carbon stocks and fluxes, mechanistic drivers of these stocks and fluxes, and soil carbon gain or loss potential. We found that stock and driver data have extensive global coverage. However, data on soil carbon gain or loss potential, particularly data describing change in soils over time such as time series data, are severely limited in their global coverage. We conclude that while significant strides have been made in measuring soil carbon stocks and fluxes, and their drivers, we are limited in global data related to changes in soils over time. Our recommendations for soil data generators are to ensure precise metadata reporting and prioritizing sampling in underrepresented areas like tropical, arctic, mountainous, wetland and arid regions. We also encourage designing revisit schemes that explicitly support change detection and reporting multi-modal datasets that can aid in model development. Targeted measurement of low coverage soil data types and regions is necessary for a range of applications including current and future biogeochemical predictions, and their management and policy implications.

carbon fluxes↗

Grid Impact Analysis of Heavy-Duty Electric Vehicle Charging Stations

This paper presents a grid impact analysis of heavy-duty electric vehicle (EV) charging stations. In this work, heavy-duty EVs have battery capacities high enough to provide a range of 250-500 miles on a single charge, such as long-haul trucks. Heavy-duty EVs will require extremely fast charging rates to reduce charging time and will induce very high charging loads (at the multiple-megawatt scale) if several vehicles charge at the same time. Therefore, analysis is needed to understand the impact of charging station loads on the electric power grid and set the baseline for developing mitigation plans and necessary system upgrades. We develop a systematic procedure to analyze the potential impact of the placement of charging stations on the grid. Charging load is modeled using a DC fast-charging station model. A voltage load sensitivity matrix approach is leveraged to investigate the challenges of placing charging stations on the feeder. Given the charging load profiles and suggested charging station locations, time-series simulations are performed on various connection points on the feeder to understand the impact. The analysis is performed on both the IEEE 34-bus system and a realistic feeder from California. Initial mitigation solutions are developed based on insights from this analysis.

47 OTHER INSTRUMENTATION↗

CODAS Data from Oliktok Point, Beaufort Sea, Alaska

Cryosphere/Ocean Distributed Acoustic Sensing (CODAS) data collected from the Beaufort Sea, Alaska, using ~37.4 km of dark telecommunications fiber located at Oliktok Point, Alaska. Data were collected with a Silixa iDAS, using 10 m gauge length, 2 m spatial resolution, and 1000 Hz sample rate. Provided here are the DAS-recorded time series for the rapid refreeze event described in Baker & Abbott (2022) (see link below). This covers a date range of 2021-11-10 15:00 UTC to 2021-11-11 17:00 UTC. Data have been decimated to 100 Hz and 20 m (i.e., every 10th channel for 1831 channels, total), as used in Baker & Abbott (2022). Data have been extracted from raw format into 1-hour long .sac* files and organized into directories by channel number, spanning channels 100 to 18400. Time series units are nano-strainrate (nm/m/s). For distribution, data have been compressed into .zip files containing all time series files for 100 channels. *For information on the Seismic Analysis Code (SAC) file format: https://seiscode.iris.washington.edu/projects/sac

16 TIDAL AND WAVE POWER↗

Comprehensive assessment of deep reinforcement learning approaches for economic dispatch in nuclear-driven microgrids

As the electrical grid integrates more variable renewable energy sources such as wind and solar, the demand for distributed and flexible systems to address this increased variability becomes critical. Nuclear-driven microgrids provide a promising solution by offering stable generation to complement intermittent renewables, ensuring grid reliability and operating efficiency. This paper proposes a recurrent deep reinforcement learning framework for optimal economic dispatch in a nuclear-powered microgrid integrating renewable energy sources, small modular reactors, battery storage systems, and balance-of-plant dynamics. A three-agent control architecture is developed, where demand and renewable energy agents act as forecasters, and a reinforcement learning-based dispatch agent performs real-time energy allocation. A nonlinear programming formulation is first used to generate an optimal baseline for benchmarking. The proposed dispatch controller, based on Proximal Policy Optimization enhanced with Long Short-Term Memory networks, exploits temporal correlations in system dynamics by taking advantage of the time series used as inputs to improve policy robustness under uncertainty. Comparative analysis against established deep reinforcement learning methods, including Proximal Policy Optimization with a feedforward architecture, Soft Actor-Critic, and Twin Delayed Deep Deterministic Policy Gradient, demonstrates superior performance. Numerical results indicate that the proposed controller achieves a 0.39% cost reduction relative to the nonlinear programming benchmark and outperforms other learning-based methods by generating additional revenue of up to 0.35%. All reinforcement learning controllers compute dispatch actions in less than 0.3 s, resulting in a computational speedup of more than three orders of magnitude over the nonlinear programming baseline. The findings of this paper highlight their applicability for real-time operation and control in nuclear-integrated microgrids under volatile operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A Spatially Explicit Individual-Based Modeling Approach to Evaluate the Cumulative Effects of Wind Energy Development on the Greater Sage-Grouse: Sensitivity Analysis and Validation of Key Parameters

To address the need for an approach to evaluate cumulative ecological impacts of wind energy development, particularly those on critical wildlife habitats and species, the authors developed a proof-of-concept, landscape-based, spatially explicit individual-based modeling (IBM) framework for populations of the greater sage-grouse (Centrocercus urophasianus) in Albany County, Wyoming, based on published and other available information on the life history of the species. This sage-grouse IBM estimates the spatial and temporal movements of sage-grouse based on modeled effects of habitat characteristics and developments on sage-grouse condition, survivorship, and reproduction. After completing the initial version of the model, we conducted a series of sensitivity analyses of key model parameters and validation of lek occurrences and spatial distributions to better understand performance of the model relative to observed values of important life history characteristics. The parameter sensitivity analysis was conducted as a series of one-factor-at-a-time tests in which the values of selected parameters were individually varied to evaluate the corresponding effects on model output. We examined the model’s response to changes in parameter values to gain insight into the overall robustness of the model, identify key driver parameters, and initiate qualitative validation. Five functions selected for sensitivity analyses were (1) the rate of change in body condition in relationship to habitat suitability index (HSI) of occupied habitat (condition change rate), (2) the effect of competition between individuals with overlapping home ranges expressed as a percentage reduction in HSI (competition factor), (3) value of condition at which survivorship probability is equal to zero (zero survivorship condition), (4) the relationship between female body condition and clutch size, and (5) the relationship between female body condition and nest success. We varied the parameter values to be tested for the sensitivity analysis around the original value used in the model (i.e., tested values were higher and lower than the model’s original value) to examine the effect of this variation on the predicted output of the model. Model outputs evaluated in the sensitivity analysis included (1) predicted age-class distribution (as measured by the percentage of immature individuals within the population); (2) predicted sex ratio; (3) predicted age-sex class distribution (percent of population in each of six age-sex classes, i.e., male and female juveniles, yearlings, and adults); (4) lifespan; (5) population size; and (6) spatial distribution. Of the five parameters analyzed, condition change rate, survivorship, clutch size, and nest success did not substantially affect any of the evaluated model outputs. For the predicted age-class distribution, the percentage of immature individuals predicted by the model for these four parameters ranged from 61.9% to 65.0%, which was reasonable with respect to the reference values of 51.4 to 57.8% in published studies. The ratio of females to males ranged from 1.09 to 1.14, which was comparable to the reference values of 1.2 to 3.0 presented in an existing study. The predicted mean lifespan ranged from 1.62 to 1.74 years, which appears to be reasonable with respect to the reference values of 0.9 to 1.1 years for sharp-tail grouse and greater prairie chickens presented by published studies. The predicted population size ranged from 1,877 to 3,140. This prediction would be reasonable with respect to our estimate of 5,000 yearlings and adults, which was based on the USFWS estimate for the state of Wyoming scaled to the number of leks in the county. The predicted spatial distribution was not substantially affected by the parameter values examined. In our sensitivity analyses, the only tested parameter that had a noticeable effect on model output was competition factor. Over the range of values tested for this parameter, predicted population size exhibited the largest range (from 1,833 to 4,737) of all parameters tested. As the competition factor increased, the predicted population size decreased. This reflects the effect competition had on the number of individuals that could co occur in high-quality habitat patches. Despite this apparently significant effect, the range of values appears to be reasonable with respect to our estimate of 5,000 yearlings and adults, which was based on the USFWS estimate for the state of Wyoming scaled to the number of leks in the county.

17 WIND ENERGY↗

Standoff Detection of Chemical Plumes Using Swept-ECQCL Remote Detection Technology: Results from EMRTC Complex Terrain Dual Tracer Experiment

As part of the Complex Terrain Dual Tracer Experiments performed in support of the LYNM program, a swept-wavelength external cavity quantum cascade laser (swept-ECQCL) remote detection system was deployed to measure chemical plume propagation with high temporal resolution. The swept-ECQCL remote detection technology was initially developed at PNNL, and is now under further development at Opticslah, LLC under SBIR funding from DOE (DOE SBIR Phase I Project DE-SC0019855, Remote Detection Technologies, Program Manager Chris Ramos). The swept-ECQCL technology provides a single-frequency infrared laser source which is rapidly scanned over a large wavelength range to measure the infrared absorption of gases, liquids, or solids. Analysis of the measured infrared absorption spectrum is used to detect, identify, and quantify the chemical species which are present. While most previous laser-based techniques used small wavelength tuning ranges to measure only a few isolated spectral lines of a few species, the swept-ECQCL provides the large tuning range needed to measure multiple species simultaneously, and to detect broad absorption features from large molecules or condensed phase materials. In addition, the swept-ECQCL systems have high enough spectral resolution and sensitivity to measure narrow lines of small molecules and determine isotope ratios. The remote detection system for gas plumes is based on the swept-ECQCL technology, and consists of a swept-ECQCL source, infrared detector, control electronics, and beam transmitting and alignment optics. The remote detection system directs the infrared output of the swept-ECQCL to a target retro reflector typically located at ~10-10,000 m distance. The swept-ECQCL wavelength is varied continuously over a large wavelength range (>1000 nm) at rates up to 1000 Hz. The swept ECQCL light reflected from the remote target is collected and focused onto an infrared photodetector. By measuring the detector signal continuously as the swept-ECQCL wavelength is varied, a time-series of absorption spectra are measured for the gases along the beam line of-sight. Based on analysis and fitting of the measured absorption spectra, the time-dependent chemical concentrations of species are determined. Multiple species and mixtures can be detected simultaneously, for all species with absorption features above the sensor noise floor. The sensor output is thus a continuous, high-speed record of identified chemicals along with their concentrations and isotope ratios of interest. The high-speed operation enables low-noise operation in conditions of atmospheric turbulence and allows tracking of fluctuating concentrations in transient chemical plumes as needed for reliable remote detection applications. All components operate with minimal cooling requirements and no cryogens are needed. In addition, the output infrared light is invisible with an intensity below the maximum permissible exposure (MPE) threshold of 100 mW/cm2 for these infrared wavelengths and thus eye safe. The measurement concept for plume detection using the swept-ECQCL remote detection system is as follows. The ECQCL beam is directed toward a remote retro-reflector, which reflects the beam back to the ECQCL system where it is focused onto an infrared photodetector. The line-of-sight from the ECQCL system to the retro-reflector defines the measurement path. The detected infrared signal is recorded continuously and detects the absorption of molecular species along the measurement path. Before a plume release, the system measures absorption from atmospheric constituents, which in this LWIR band consist primarily of lines from H 2 O and CO 2 , with additional weaker absorption from N 2 O, NH 3 , and O 3 possibly contributing. The system then measures any changes in absorption due to the tracer compounds when they enter the measurement path. The shape of absorption features is used to distinguish and identify the different tracer compounds, and the strength of the absorption is used to determine the path-integrated concentration – also called the column density.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Examination of Semi-Analytical Solution Methods in the Coarse Operator of Parareal Algorithm for Power System Simulation

With continuing advances in high-performance parallel computing platforms, parallel algorithms have become powerful tools for development of faster than real-time power system dynamic simulations. In particular, it has been demonstrated in recent years that parallel-in-time (Parareal) algorithms have the potential to achieve such an ambitious goal. Here, the selection of a fast and reasonably accurate coarse operator of the Parareal algorithm is crucial for its effective utilization and performance. This paper examines semi-analytical solution (SAS) methods as the coarse operators of the Parareal algorithm and explores performance of the SAS methods to the standard numerical time integration methods. Two promising time-power series-based SAS methods were considered; Adomian decomposition method and Homotopy analysis method with a windowing approach for improving the convergence. Numerical performance case studies on 10-generator 39-bus system and 327-generator 2383-bus system were performed for these coarse operators over different disturbances, evaluating the number of Parareal iterations, computational time, and stability of convergence. All the coarse operators tested with different scenarios have converged to the same corresponding true solution (if they are convergent) and the SAS methods provide comparable computational speed, while having more stable convergence to the true solution in many cases.

97 MATHEMATICS AND COMPUTING↗

Screening candidate supplementary cementitious materials under standard and accelerated curing through time-series surface resistivity measurements and change-point detection

Time-series surface resistivity (SR) measurements are evaluated as an indicator of pozzolanicity in concretes containing 13 materials of both known and unknown pozzolanicity, under standard and accelerated curing conditions, and the results were validated against portlandite consumption obtained through thermogravimetric analysis. Change-point detection (CPD) analysis is applied to the data to provide a rigorous indicator of hydration age of the onset and rate of the pozzolanic reaction, if occurring. The SR measurements were able to capture the onset of the pozzolanic reactions in concretes curing at elevated temperature regimes, which allows determination of pozzolanicity weeks earlier than at standard curing temperatures. Using CPD along with slope analysis allows a comprehensive analysis of a material's reactivity and determination of pozzolanicity in as quickly as two days. Time-series SR measurements at elevated curing conditions, along with limits on material composition, are recommended for determination of pozzolanic reactivity in novel or variable materials.

36 MATERIALS SCIENCE↗

Hydropower Infrastructure - LAkes, Reservoirs, and RIvers (HILARRI), v4

HILARRI is a database of links between major datasets of operational hydropower dams and powerplants, and inland water bodies. These connections are critical for conducting large-scale analysis of hydropower infrastructure and their associated natural and engineered water systems. Features include: – Dams from the National Inventory of Dams (2025) and the Global Reservoir and Dam Database (GRanD v1.3) – Hydropower plants from the Existing Hydropower Assets dataset (EHA 2025) – Power plants that are listed in the 2025 U.S. Hydropower Development Pipeline Data or were listed in previous versions of the dataset These hydropower infrastructure features are linked to several major datasets that provide hydrologic and hydraulic information relevant for analysis of hydropower systems that includes the integral water resources. That information comes from: – Products from the National Hydrography Dataset (NHD) – NHDPlusV2 Medium Resolution river network flowlines, – NHD waterbodies (limited to lakes and reservoirs), – NHD Watershed Boundary Dataset (HUC12-level for the Conterminous United States (CONUS)) – NHD High Resolution waterbodies – HydroLAKES water bodies (lakes and reservoirs) – LAGOS-US lakes and reservoirs – EPA National Lakes Assessment (2007, 2012, 2017, and 2022) – The Reservoir Sedimentation Database (RESSED) – EPA SuRGE sampling locations Unique identifiers are used to facilitate joining to the original full datasets. For example, characteristics of NHD flowlines such as estimated average flow rate can be joined from the NHDPlusV2 dataset to a dam or power plant listed in HILARRI based on the ID field, “COMID”, that is common to both datasets. HILARRI only includes basic information about identifiers, location, and data quality or usage notes. It does not contain the attributes or time series data associated with these sites. The HILARRI dataset incorporates information from several datasets to facilitate more effective and accurate analysis of hydropower infrastructure and their associated waterbodies. For example, dams were checked against the most recent American Rivers Dam Removal Database to identify and flag facilities that may no longer exist. Additionally, dams that are listed multiple times in the NID are identified and flagged to avoid double-counting when analyzing and summarizing information. Other quality flags include certainty of operational hydropower (i.e., if one or more datasets indicates hydropower at a particular location), whether an associated water body is accurate or composed of multiple polygons, or whether there is a known issue with reported characteristics in one of the underlying datasets. These additional data flags are designed to increase confidence in data usage for individual to large-scale analyses.

Hansen, Carly [ORNL] (ORCID:0000000193280838)↗

Modal dynamics of wind turbine wake meandering from lidar observations

Horizontal scans from nacelle-mounted lidars provide time series measurements of wind turbine wakes across diverse atmospheric conditions, enabling analysis of coherent turbulent structures that influence wake meandering through proper orthogonal decomposition (POD). While low-order modes capture the most energetic turbulent structures, our analysis reveals that they do not necessarily dominate wake meandering dynamics. We evaluate more than 16,000 combinatorial reconstructions of the flow field for each inflow case, demonstrating that mode relevance depends on mode symmetry, turbulent kinetic energy content, and inflow characteristics. Cases with low turbulence intensity and large integral timescales show stronger correlations between POD modes and wake meandering, whereas higher turbulence conditions (turbulence intensity > 7%) are less effectively described by reduced-order models. However, the qualitative similarity of POD modes across varied atmospheric conditions suggests the potential existence of a semi-universal basis for representing wind turbine wakes, with implications for improving engineering wake models.

17 WIND ENERGY↗

Systematic Study of Solid-State U(VI) Photoreactivity: Long-Lived Radicalization and Electron Transfer in Uranyl Tetrachloride

Reported are the syntheses, structural characterizations and luminescence properties of three novel [UO 2 Cl 4 ] 2- bearing compounds containing substituted 1,1’-dialkyl-4,4’-bipyridinum dications (i.e. viologens). These compounds undergo photoinduced luminescence quenching upon exposure to UV radiation. Further, this reactivity is concurrent with two phenomena: radicalization of the uranyl tetrachloride anion and photoelectron transfer to the viologen which constitutes the formal transfer of one electron from the [UO 2 Cl 4 ] 2- to the viologen species. This behavior is elucidated using electron paramagnetic resonance (EPR) spectroscopy and further probed through a series of characterization and computational techniques including Rehm-Weller analysis, time-dependent density functional theory (TD-DFT), and density of states (DOS). This work provides a systematic study of the photoreactivity of the uranyl unit in the solid state, an under-described aspect of fundamental uranyl chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

2024 Workshop - Remote Sensing and Fluxes Upscaling for Real-world Impact - Tutorial v1

The software-tutorial was developed within the 2024 Remote Sensing and Fluxes Upscaling for Real-world Impact workshop as part of the hands-on session. The workshop was supported by AmeriFlux, National Ecological Observatory Network (NEON) and CarbonDew. The software provides basic tools to perform the following tasks: - gather remote sensing images using Google Earth Engine API; - gather flux data; - perform basic functions, such as plotting time-series, perform QA of the data, compute vegetation indices; - perform correlation analysis between flux data and remote sensing data; - perform flux predictions based on remote sensing data integrated in different modalities.

Falco, Nicola [Lawrence Berkeley National Laborato↗

PVInsight (Final Technical Report)

Data generated from real-world photovoltaic (PV) systems represent significant opportunities for the industry–from digital operations and maintenance to real-time planning and forecasting. However, these data also come with substantial, unique challenges. A particular challenge is the analysis of unlabeled PV performance data, which we define as time-series measurements of real power production (or sometimes current or voltage) that do not have corresponding meteorological measurements (irradiance, temperature, etc.) or system configuration information (sometimes called system metadata). These challenges are amplified in the distributed rooftop sector, in which data quality, completeness, and metadata can be very poor.

14 SOLAR ENERGY↗

A Data Science and Machine Learning Platform Supporting Large Particle Accelerator Control and Diagnostics Applications Final Report: SBIR Initial Phase II DE-SC0022583

The Machine Learning Data Platform (MLDP) is a product providing full-stack support for data science, Machine Learning, and Artificial Intelligence (ML/AI) applications at particle accelerator and large experimental physics facilities. It supports ML/AI applications from front-end, high-speed acquisition of heterogeneous, time-series data, through data archiving and management, to back-end analysis. The MLDP embodies a “data-science ready” platform for data analysis and ML/AI applications in diagnosis, modelling, control, and optimization of these facilities. It provides data scientists and applications a consistent, datacentric interface to archive data standardizing implementation and deployment of ML/AI algorithms to different operations configurations within the same facility, or between facilities. Being an open-source, public-domain project, the MLDP is intended for broadest possible impact by increasing accessibility and minimizing the required expertise for installation and operation. The MLDP can also be deployed at user facilities for experimental data collection, archiving, and analysis. It is capable of acquisition and archiving of heterogeneous data from experimental equipment (e.g., images, arrays, structures, etc.) along with system hardware configurations (e.g., scalars, tables), control system process variables, and any metadata required for provenance. Thus, the MLDP can manage experimental data through its entire lifecycle, from acquisition and archiving, through analysis and investigation, to release and final publication.

43 PARTICLE ACCELERATORS↗

PlasmoData.jl — A Julia framework for modeling and analyzing complex data as graphs

Datasets encountered in scientific and engineering applications appear in complex formats (e.g., images, multivariate time series, molecules, video, text strings, networks). Graph theory provides a unifying framework to model such datasets and enables the use of powerful tools that can help analyze, visualize, and extract value from data. In this work, we present PlasmoData.jl, an open-source, Julia framework that uses concepts of graph theory to facilitate the modeling and analysis of complex datasets. The core of our framework is a general data modeling abstraction, which we call a DataGraph. We show how the abstraction and software implementation can be used to represent diverse data objects as graphs and to enable the use of tools from topology, graph theory, and machine learning (e.g., graph neural networks) to conduct a variety of tasks. We illustrate the versatility of the framework by using real datasets: (i) an image classification problem using topological data analysis to extract features from the graph model to train machine learning models; (ii) a disease outbreak problem where we model multivariate time series as graphs to detect abnormal events; and (iii) a technology pathway analysis problem where we highlight how we can use graphs to navigate connectivity. Further, our discussion also highlights how PlasmoData.jl leverages native Julia capabilities to enable compact syntax, scalable computations, and interfaces with diverse packages. Overall, we show that the DataGraph abstraction and PlasmoData.jl Julia package are able to model data within graphs and enable useful analysis.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗