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At least 73 records · Page 4

Graph-Based Prediction of Spatio-Temporal Vaccine Hesitancy From Insurance Claims Data

Growing vaccine hesitancy is contributing to the decline in immunization rates for highly contagious, vaccine-preventable childhood diseases. Therefore, there has been a significant interest in understanding how hesitancy is spreading at higher spatio-temporal resolutions, enabling more targeted interventions. Motivated by this, we study the problem of prediction of vaccine hesitancy at the ZIP Code level, referred to as the VaxHesitancy problem. A significant challenge for this problem is the lack of high-resolution data that indicates hesitancy. Here, we develop a hybrid VaxHesSTL framework that combines a Graph Neural Network (GNN) and a Recurrent Neural Network (RNN) to address the VaxHesitancy problem. The GNN uses a ZIP Code-level network to capture spatial signals from neighboring areas, while the RNN models the temporal dynamics present in the data. We train and evaluate VaxHesSTL using a large dataset, namely the All-Payer Claims Databases (APCD), for Virginia, consisting of insurance claims from over five million individuals for six years. We find that an aggregated contact network or graph, developed from a detailed activity-based population network, plays an important role in the performance of VaxHesSTL, compared to graph models based solely on spatial proximity. Experiments demonstrate that VaxHesSTL outperforms a range of state-of-the-art baselines, which rely solely on historical time series data without accounting for spatial relationships. Since hesitancy data at higher spatial resolution is often unavailable or hard to get, we incorporate an active learning approach with our VaxHesSTL framework to optimize the training set without compromising the prediction performance. We find that hesitancy data for only 18% of ZIP Codes selected by active learning allows us to forecast hesitancy for all the ZIP Codes in the Virginia.

60 APPLIED LIFE SCIENCES↗

Generation of Large-Volume High-Pressure Plasma by Spatio-Temporal Control of Space Charge

Due to the fundamental limitations of scaling, very little progress has been made towards achieving a large-volume dense non-equilibrium plasma near atmospheric pressures. Commercially available state-of-the art glow-like atmospheric plasma devices for industrial applications are either narrow tubes or wide slits with narrow openings. Often multiple sources are put together in various configurations to process larger surfaces. The traditional methods of exciting electrodes create spatially fixed electric fields. As a result, the space charge at atmospheric pressure tends to be spatially confined resulting in non-uniformity which eventually leads to instability as the discharge is scaled. Theoretical work done under this project showed that it is possible to generate a spatially rotating electric field by exciting a set of electrodes with phase staggered sinusoidal waveforms. The modeling and simulations were done using plasma fluid models. It was shown that such a field can produce a uniform plasma. At the conclusion of the project, experimental proof of concept with an eight-electrode system in various gases (Air, Helium and Argon) was demonstrated. Power measurements and spectral investigation show that the concept can be used to generate a uniform stable plasma. This plasma source has the potential of opening new applications of nonthermal plasma including combustion of carbon-free fuel. The current limitation of the proposed method in scaling to higher volume and pressure is the need for multiple high voltage amplifiers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Machine Learning-Driven Reliability Estimation of PV Inverters Considering Alert-Ambient Variability

Weather-induced spatio-temporal degradation limits outdoor PV inverter lifetime and reliability, necessitating advanced data analysis. This study employs a top-down, data-driven approach utilizing multiple machine learning (ML) algorithms to estimate inverter reliability in a 1.4 MW PV power plant, considering factors such as irradiance, humidity, temperature, time of day, and weather conditions. An extensive alert dataset from 17 identical inverters, including alert types, propagation, and frequency, reveals significant correlations with environmental factors and inverter output power, enabling the construction of a performance reliability model. Dual-stage supervised-ML models are evaluated for accuracy, with the ‘classification-regression’ model by an artificial neural network (ANN) tested on the averaged “Alert-Ambient” dataset, which is outperformed by ‘clustering-regression’ models using random forest (RF) and K-Nearest Neighbors (KNN) on individual inverter datasets. K-means clustering applies principal component analysis to reduce dimensions, achieving improved accuracy beyond the 80% achieved by ANN on the averaged dataset. Second-stage regression estimates inverter reliability with a mean square error of 0.0195 on the averaged dataset and as low as 0.002 on individual inverter datasets using RF. Furthermore, these findings highlight the method's suitability for estimating PV inverter output reliability under ambient conditions, essential for digital twin development and related applications.

14 SOLAR ENERGY↗

Visualizing an Exascale Data Center Digital Twin: Considerations, Challenges and Opportunities

Digital twins are an excellent tool to model, visualize, and simulate complex systems, to understand and optimize their operation. In this work, we present the technical challenges of real-time visualization of a digital twin of the Frontier supercomputer.We show the initial prototype and current state of the twin and highlight technical design challenges of visualizing such a large High Performance Computing (HPC) system. The goal is to understand the use of augmented reality as a primary way to extract information and collaborate on digital twins of complex systems. This leverages the spatio-temporal aspect of a 3D representation of a digital twin, with the ability to view historical and real-time telemetry, triggering simulations of a system state and viewing the results, which can be augmented via dashboards for details. Finally, we discuss considerations and opportunities for augmented reality of digital twins of large-scale, parallel computers.

Maiterth, Matthias↗

Spatio-temporal electric field distributions in an atmospheric plasma jet impinging on a microchannel array surface

The electric field distribution in the ionization waves (IWs) propagating over a microchannel array dielectric surface, with the channels either empty or filled with distilled water, is measured by ps electric field induced second harmonic generation. The surface IW is initiated by the atmospheric pressure N 2 –Ar plasma jet impinging on the surface vertically and powered by ns pulse discharge bursts. The results show that the electric field inside the microchannels, specifically its horizontal component, is enhanced by up to a factor of 2. The field enhancement region is localized within the channels. The vertical electric field inside the channels lags in time compared to the field measured at the ridges, indicating the transient reversal of the IW propagation direction across the channels (toward the jet). This is consistent with the phase-locked plasma emission images and confirmed by the kinetic modeling predictions, which show that the IW ‘jumps’ over the empty channels and propagates into the channels only after the jump between the adjacent ridges. When the channels are filled with water, the wave speed increases by up to 50%, due to the higher effective dielectric constant of the surface. No evidence of a significant electric field enhancement near the dielectric surface (ceramic or water) has been detected, within the spatial resolution of the present diagnostic, ~100 μ m.

plasmas and liquids↗

Big Data Meets Geothermal Exploration (CRADA Final Report)

As part of the Cyclotron Road program, Zanskar Geothermal & Minerals, Inc. investigated the application of micro-earthquake and ambient noise seismology methods to imaging and characterizing the structural characteristics and hydrothermal flux of subsurface faults. Significant advances in what could be resolved were enabled by two major developments in seismology: 1) the availability of large-n arrays of low-cost seismometers, and 2) the availability of increased computational power and semi-automated data reduction algorithms. In tandem, these advances may improve the signal-to-noise ratio and spatial precision of the data collected and enable higher-resolution characterization of subsurface fracture systems and their spatio-temporal evolution. These tools supported efforts to reduce dry-hole risk and to improve wellfield productivity for geothermal resource development. In particular, two applications of these advances were evaluated: 1) fracture-seismic imaging, which was used to detect ambient emissions from fluid-filled fractures, and 2) reservoir tomography, which used information about travel paths, source locations, and source parameters of micro-earthquakes to identify areas of enhanced permeability. Integration of these methods provided guidance for siting wells and served as prior constraints for reservoir models, informing forecasts of power potential and production and injection strategies aimed at minimizing temperature decline and improving overall resource productivity.

15 GEOTHERMAL ENERGY↗

Exploring thermal runaway propagation in Li-ion batteries through high-speed X-ray imaging and thermal analysis: Impact of cell chemistry and electrical connections

Battery safety design is important to consider from the individual Li-ion cell to the level of the macro-system. On the macro-level, failure in one single cell can lead to propagation of the thermal runaway and rapidly set a whole battery pack on fire. Factors that can impact the propagation outcome, such as cell model/chemistry and electrical connection are here investigated using a combination of measurements. Several abusive tests were conducted, combining two different cell models (Molicel P42A and LG M50, both 21700s) in series and parallel connections (16 tests per configuration). Overall, a propagation outcome of 56% was measured from the 32 conducted tests, a minimum temperature of 150 °C was required to initiate propagation, and the fastest propagation occurred in 123 s. Temperature measurements were higher in series connected cells, initiating the discussion of cell chemistry and internal resistance on this effect. The difference in current-flow during thermal runaway in series and parallel connections, and how this can affect the temperature evolution is further discussed. Spatio-temporal mapping of X-ray radiography allowed us to derive the speed of thermal runaway evolution inside the battery and has shown that series connected cells, in particular P42A, occur faster. It was further observed that deviant sidewall behaviors such as temperature-induced breaches and pressure-induced ruptures occurred in P42As only respective nail-penetrated cells only.

25 ENERGY STORAGE↗

A flexible class of priors for orthonormal matrices with basis function-specific structure

Statistical modeling of high-dimensional matrix-valued data motivates the use of a low-rank representation that simultaneously summarizes key characteristics of the data and enables dimension reduction. Low-rank representations commonly factor the original data into the product of orthonormal basis functions and weights, where each basis function represents an independent feature of the data. However, the basis functions in these factorizations are typically computed using algorithmic methods that cannot quantify uncertainty or account for basis function correlation structure a priori. While there exist Bayesian methods that allow for a common correlation structure across basis functions, empirical examples motivate the need for basis function-specific dependence structure. We propose a prior distribution for orthonormal matrices that can explicitly model basis function-specific structure. The prior is used within a general probabilistic model for singular value decomposition to conduct posterior inference on the basis functions while accounting for measurement error and fixed effects. We discuss how the prior specification can be used for various scenarios and demonstrate favorable model properties through synthetic data examples. Finally, we apply our method to two-meter air temperature data from the Pacific Northwest, enhancing our understanding of the Earth system’s internal variability.

97 MATHEMATICS AND COMPUTING↗

MetaPoL: Immersive VR based Indoor Patterns of Life (PoL) and Anomalies Data Generation for Insider Threat Modeling in Nuclear Security

Insider threats are perhaps the most serious challenges that nuclear and radiological security systems face. Insiders pose such a great threat due to their access, authority, and knowledge, granting them opportunities to bypass dedicated nuclear and radiological security elements. For example, in one of the latest major insider threat incidents to nuclear security, the Doel-4 nuclear powerplant in Belgium suffered a shutdown, the threat of nuclear materials diversion, and long-term loss of tens of millions of dollars. Seven years of investigation concluded that it was an inside job and attempted sabotage. In this regard, there is an immediate need for R&D and technology integration in the domain of modeling indoor Patterns-of-Life (PoL) and anomaly detection. This can be achieved by using datasets of facility users’ mobility and activity, which can support the design of algorithms for insider threat modeling and detection. However, due to classification, privacy, sensitivity, and safety protocols, such datasets from real physical nuclear reactor facilities are not only hard to share, but also not always feasible to deploy and collect. Aiming to find an alternate solution, our proposed demonstration work - MetaPoL, is the first-ever (for the application space) immersive VR (virtual reality) environment of a real-world secure facility and allows users to move-and-stay through the designed indoor physical layout and also encounter NPCs (non-player characters) that emulate other facility users. In the MetaPoL an interactive user performs realistic spatio-temporal movement, dwelling and activities using a Meta Quest Pro VR headset, and that generates high-frequency (in time) high-resolution (in space) indoor spatial-temporal datasets that are valuable for PoL modeling and anomaly detection research specifically for insider threat modeling and detection mission. Such generated realistic, rich in context, and mission specific datasets can boost AI/Machine Learning based research for modeling and detecting insider threats in nuclear security and nonproliferation.

Gunaratne, Chathika↗

Compactly‐Supported Nonstationary Kernels for Computing Exact Gaussian Processes on Big Data

The Gaussian process (GP) is a widely used method for analyzing large-scale data sets, including spatio-temporal measurements of nonlinear processes that are now commonplace in the environmental sciences. Traditional implementations of GPs involve stationary kernels (also termed covariance functions) that limit their flexibility, and exact methods for inference that prevent application to data sets with more than about 10,000 points. Modern approaches to address stationarity assumptions generally fail to accommodate large data sets, while all attempts to address scalability focus on approximating the Gaussian likelihood, which can involve subjectivity and lead to inaccuracies. In this work, we explicitly derive an alternative kernel that can discover and encode both sparsity and nonstationarity. We embed the kernel within a fully Bayesian GP model and leverage high-performance computing resources to enable the analysis of massive data sets. We demonstrate the favorable performance of our novel kernel relative to existing exact and approximate GP methods across a variety of synthetic data examples. Furthermore, we conduct space–time prediction based on more than 1 million measurements of daily maximum temperature and verify that our results outperform state-of-the-art methods in the Earth sciences. More broadly, having access to exact GPs that use ultra-scalable, sparsity-discovering, nonstationary kernels allows GP methods to truly compete with a wide variety of machine learning methods.

Gaussian processes↗

The ABCs of On-Demand Transit (ODT)

On-demand mobility - also referred to as on-demand transit (ODT) - is a form of public mobility that is flexible with respect to where and when service is provided, and ODT deployments have increased significantly in recent years. Transit agencies are becoming increasingly interested in ODT, and due to differing definitions and various service design and business model options, it can be difficult to learn about the emerging industry. This work provides an overview of the definitions of ODT, recent trends internationally and in the U.S., ODT's benefits and challenges (particularly compared to fixed-route transit), three primary service design options, system costs and funding considerations, and a metrics framework for evaluating ODT systems to ensure continued successful performance. Identified benefits include increased service areas, short ride and wait times, increased user flexibility, potential to reduce energy consumption and emissions through shared trips and smaller, right-sized vehicles, increased safety and comfort through door-to-door service, and rich data streams including granular spatio-temporal data that can be analyzed to continuously improve the service. Challenges include scaling ODT service up as small increases in ridership require additional supply to keep service quality high, serving peak times including keeping low wait times, the lack of fixed schedule being challenging for commuters, integrating ODT services with nearby transit systems, and equity for riders without smartphones who cannot track the vehicle in a mobile app. Finally, an overview of seven ODT case studies (in Texas, Missouri, New York, and Ontario, Canada) performed by NREL and related analysis of travel time, energy and emissions, costs, and equity are presented. Initial key findings include: ODT can be cost- and energy-effective compared to fixed-route transit, ODT serves more people than other transit options, and ODT system deployments can be followed by rapid growth.

24 POWER TRANSMISSION AND DISTRIBUTION↗

O'Hare Airport roadway traffic prediction via data fusion and Gaussian process regression

This study proposes an approach of leveraging information gathered from multiple traffic data sources at different resolutions to obtain approximate inference on the traffic distribution of Chicago's O'Hare Airport area. Specifically, it proposes the ingestion of traffic datasets at different resolutions to build spatiotemporal models for predicting the distribution of traffic volume on the road network. Due to its good adaptability and flexibility for spatiotemporal data, the Gaussian process (GP) regression was employed to provide short-term forecasts using data collected by loop detectors (sensors) and supplemented by telematics data. The GP regression is used to make predictions of the distribution of the proportion of sensor data traffic volume represented by the telematics data for each location of the sensors. Consequently, the fitted GP model can be used to determine the approximate traffic distribution for a testing location outside of the training points. Policymakers in the transportation sector can find the results of this work helpful for making informed decisions relating to current and future transportation conditions in the area.

42 ENGINEERING↗

A comparison of model validation approaches for echo state networks using climate model replicates

As global temperatures continue to rise, climate mitigation strategies such as stratospheric aerosol injections (SAI) are increasingly discussed, but the downstream effects of these strategies are not well understood. As such, there is interest in developing statistical methods to quantify the evolution of climate variable relationships during the time period surrounding an SAI. Feature importance applied to echo state network (ESN) models has been proposed as a way to understand the effects of SAI using a data-driven model. This approach depends on the ESN fitting the data well. If not, the feature importance may place importance on features that are not representative of the underlying relationships. Typically, time series prediction models such as ESNs are assessed using out-of-sample performance metrics that divide the times series into separate training and testing sets. However, this model assessment approach is geared towards forecasting applications and not scenarios such as the motivating SAI example where the objective is using a data driven model to capture variable relationships. Here, in this paper, we demonstrate a novel use of climate model replicates to investigate the applicability of the commonly used repeated hold-out model assessment approach for the SAI application. Simulations of an SAI are generated using a simplified climate model, and different initialization conditions are used to provide independent training and testing sets containing the same SAI event. The climate model replicates enable out-of-sample measures of model performance, which are compared to the single time series hold-out validation approach. For our case study, it is found that the repeated hold-out sample performance is comparable, but conservative, to the replicate out-of-sample performance when the training set contains enough time after the aerosol injection.

54 ENVIRONMENTAL SCIENCES↗

A regularized-interface method as a unified formulation for simulations of high-pressure multiphase flows

The injection of multi-species fluids into high-pressure and high-temperature environments beyond the species' critical points is commonly found in engineering applications. At these conditions, for immiscible species, both subcritical interfacial dynamics and supercritical mixing can coexist due to variations in temperature around the mixture critical point. The modeling of these complex transcritical phenomena for large-scale configurations is so far not possible. To address this issue, we propose the Regularized-Interface Method (RIM) as a unified formulation that can describe both sub- and supercritical processes as well as the transition between them. The proposed method is derived via filtering of the nanoscale interface-resolving formulation based on van der Waals' linear gradient theory. Thus, this approach allows for the consistent modeling of interfacial dynamics that vanishes at supercritical conditions, while significantly reducing the temporal and spatial resolution constraints of the original nanoscale formulation. The resulting RIM formulation is examined in interface-capturing simulations of sub-, trans-, and supercritical fuel injection processes, involving droplets and jets. Furthermore, these results highlight the importance of resolving spatio-temporal transitions from subcritical interfacial dynamics to supercritical mixing in high-pressure multiphase simulations, in contrast to commonly employed diffused-interface methods, where interfacial dynamics are often neglected.

Interface capturing↗

Congo Basin Water Balance and Terrestrial Fluxes Inferred From Satellite Observations of the Isotopic Composition of Water Vapor

Large spatio-temporal gradients in the Congo basin vegetation and rainfall are observed. However, its water-balance (evapotranspiration minus precipitation, or ET - P) is typically measured at basin-scales, limited primarily by river-discharge data, spatial resolution of terrestrial water storage measurements, and poorly constrained ET. We use observations of the isotopic composition of water vapor to quantify the spatio-temporal variability of net surface water fluxes across the Congo Basin between 2003 and 2018. These data are calibrated at basin scale using satellite gravity and total Congo river discharge measurements and then used to estimate time-varying ET - P over four quadrants representing the Congo Basin, providing first estimates of this kind for the region. We find that the multi-year record, seasonality, and interannual variability of ET - P from both the isotopes and the gravity/river discharge based estimates are consistent. Additionally, we use precipitation and gravity-based estimates with our water vapor isotope-based ET - P to calculate time and space averaged ET and net river discharge within the Congo Basin. These quadrant-scale moisture flux estimates indicate (a) substantial recycling of moisture in the Congo Basin (temporally and spatially averaged ET/P > 70%), consistent with models and visible light-based ET estimates, and (b) net river outflow is largest in the Western Congo where there are more rivers and higher flow rates. Our results confirm the importance of ET in modulating the Congo water cycle relative to other water sources.

54 ENVIRONMENTAL SCIENCES↗

Unsupervised Clustering of Microseismic Events and Focal Mechanism Analysis at the CO 2 Injection Site in Decatur, Illinois

Characterization of induced microseismicity at a carbon dioxide (CO 2 ) storage site is critical for preserving reservoir integrity and mitigating seismic hazards. We apply a multilevel machine learning (ML) approach that combines the nonnegative matrix factorization and hidden Markov model to extract spectral representations of microseismic events and cluster them to identify seismic patterns at the Illinois Basin-Decatur Project. Unlike traditional waveform correlation methods, this approach leverages spectral characteristics of first arrivals to improve event classification and detect previously undetected planes of weakness. By integrating ML-based clustering with focal mechanism analysis, we resolve small-scale fault structures that are below the detection limits of conventional seismic imaging. Our findings reveal temporal bursts of microseismicity associated with brittle failure, providing insights into the spatio-temporal evolution of fault reactivation during CO 2 injection. This approach enhances seismic monitoring capabilities at CO 2 injection sites by improving fault characterization beyond the resolution of standard geophysical surveys.

Willis, Rachel Marie [Sandia National Laboratories↗

Bayesian Physics Informed Spatio-Temporal Network for Streamflow Data Imputation

Reliable reconstruction of incomplete streamflow records is critical for improving hydrological forecasting, flood preparedness, and water resource management. However, large observational gaps and uncertainties in governing physical parameters limit the accuracy of traditional statistical and machinelearning imputation frameworks. To address these challenges, we develop a Bayesian Physics-Informed Spatio-Temporal Network (BPI-STNet) that jointly captures spatial and temporal dependencies while enforcing hydrologic consistency through embedded physical constraints. The framework integrates a GraphSAGE-LSTM architecture to model spatial connectivity across gauges and temporal flow dynamics, coupled with a Bayesian update mechanism to estimate uncertain parameters in a simplified water-balance framework. Unlike conventional physics-informed networks that rely on sampling-based posterior estimation, BPI-STNet derives an analytic solution to the inverse problem, allowing closed-form Bayesian updates of uncertain parameters Λ={α,β,k} using Gaussian priors and likelihoods. Applied to daily observations from the Susquehanna River Basin (1980-2022), BPI-STNet achieves substantial improvements over a purely data-driven RGNN baseline, which reduced RMSE by 23 % and MAE by 9 %, and achieving an average NSE values up to 0.96. The results demonstrate that coupling Bayesian inference with physics-informed learning yields physically consistent, uncertainty-aware reconstructions that preserve the temporal persistence and statistical distribution of observed flows. The proposed framework establishes a generalizable paradigm for data-sparse hydrologic systems where both data fidelity and physical interpretability are essential.

Krishnan Kutty Ambika, Anukesh [ORNL] (ORCID:00000↗

Self-Supervised T-GCN for Detection of Disturbance and Propagation in Power Grid

Urban power systems increasingly rely on dense sensing to monitor grid reliability, yet disturbance labels are scarce and events are rare. We present a self-supervised spatio-temporal method that detects, localizes, and characterizes grid frequency disturbances across urban areas using only unlabeled data. Our approach trains a tiny Temporal Graph Convolutional Network (T-GCN) to forecast per-site frequency residuals (deviation from 60 Hz). The sensor graph is constructed directly from signals using pre-event Pearson correlation with a cross-correlation lag penalty without geocoding. At inference, node-level anomalies are the model's forecast errors; region-level alarms arise from connected components of high-score nodes. We estimate disturbance propagation by computing per-node arrival times (first persistent exceedance), then fit a planar or time-of-arrival model to obtain direction, speed, and an epicenter proxy. With only three real events collected at decisecond resolution across U.S. cities, we evaluate the T-GCN and report time-to-detect, footprint size, and propagation consistency. We further show that short-window embeddings from the T-GCN's hidden states enable few-shot event-vs-background recognition via a simple prototypical classifier. Despite minimal data and no labels, our system yields fast, spatially coherent detection and interpretable propagation maps, offering a practical, lightweight pathway to city-scale grid resilience analytics.

Niu, Haoran [ORNL] (ORCID:0000000155228297)↗