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At least 145 records · Page 8

Efficient Training of Deep Neural Operator Networks via Randomized Sampling

Neural operators (NOs) employ deep neural networks to learn the mappings between infinitedimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex dynamics across various scientific and engineering applications. In this work, we introduce a random sampling technique to be adopted during the training of DeepONet, aimed at improving the generalization ability of the model, while significantly reducing the computational time. The proposed approach targets the trunk network of the DeepONet model that outputs the basis functions corresponding to the spatiotemporal locations of the bounded domain on which the physical system is defined. While constructing the loss function, DeepONet training traditionally considers a uniform grid of spatiotemporal points at which all the output functions are evaluated for each iteration. This approach leads to a larger batch size, resulting in poor generalization and increased memory demands, due to the limitations of the stochastic gradient descent (SGD) optimizer. The proposed random sampling over the inputs of the trunk net mitigates these challenges, improving generalization and reducing the memory requirements during training, resulting in significant computational gains. We validate our hypothesis through three benchmark examples, demonstrating substantial reductions in training time while achieving comparable or lower overall test errors relative to the traditional training approach. Our results indicate that incorporating randomization in the trunk network inputs during training enhances the efficiency and robustness of DeepONet, offering a promising avenue for improving the framework’s performance in modeling complex physical systems.

Karumuri, Sharmila [Department of Civil & Systems ↗

Spatiotemporal predictions of toxic urban plumes using deep learning

Industrial accidents, chemical spills, and structural fires can release large amounts of harmful materials that disperse into urban atmospheres and impact populated areas. Computer models are typically used to predict the transport of toxic plumes by solving fluid dynamical equations. However, these models can be computationally expensive due to the need for many grid cells to simulate turbulent flow and resolve individual buildings and streets. In emergency response situations, alternative methods are needed that can run quickly and adequately capture important spatiotemporal features. Here, we present a novel deep learning model called ST-GasNet inspired by the mathematical equations that govern the behavior of plumes as they disperse through the atmosphere. ST-GasNet learns the spatiotemporal dependencies from a limited set of temporal sequences of ground-level toxic urban plumes generated by a high-resolution large eddy simulation model. On independent sequences, ST-GasNet accurately predicts the late-time spatiotemporal evolution, given the early-time behavior as an input, even when a building splits a large plume into smaller plumes. By incorporating large-scale wind boundary condition information, ST-GasNet achieves a prediction accuracy of at least 90% on test data for the entire prediction period.

Civil and Environmental Engineering↗

Evaluation of 18 Satellite- and Model-Based Soil Moisture Products Using in Situ Measurements From 826 Sensors

Information about the spatiotemporal variability of soil moisture is critical for many purposes, including monitoring of hydrologic extremes, irrigation scheduling, and prediction of agricultural yields. We evaluated the temporal dynamics of 18 state-of-the-art (quasi-)global near-surface soil moisture products, including six based on satellite retrievals, six based on models without satellite data assimilation (referred to hereafter as “open-loop” models), and six based on models that assimilate satellite soil moisture or brightness temperature data. Seven of the products are introduced for the first time in this study: one multi-sensor merged satellite product called MeMo (Merged soil Moisture) and six estimates from the HBV (Hydrologiska Byråns Vattenbalansavdelning) model with three precipitation inputs (ERA5, IMERG, and MSWEP) with and without assimilation of SMAPL3E satellite retrievals, respectively. As reference, we used in situ soil moisture measurements between 2015 and 2019 at 5 cm depth from 826 sensors, located primarily in the USA and Europe. The 3-hourly Pearson correlation (R) was chosen as the primary performance metric. We found that application of the Soil Wetness Index (SWI) smoothing filter resulted in improved performance for all satellite products. The best-to-worst performance ranking of the four single-sensor satellite products was SMAPL3E SWI , SMOS SWI , AMSR2 SWI , and ASCAT SWI , with the L-band-based SMAPL3E SWI (median R of 0.72) outperforming the others at 50 % of the sites. Among the two multi-sensor satellite products (MeMo and ESA-CCI SWI ), MeMo performed better on average (median R of 0.72 versus 0.67), probably due to the inclusion of SMAPL3E SWI . The best-to-worst performance ranking of the six open-loop models was HBV-MSWEP, HBV-ERA5, ERA5-Land, HBV-IMERG, VIC-PGF, and GLDAS-Noah. This ranking largely reflects the quality of the precipitation forcing. HBV-MSWEP (median R of 0.78) performed best not just among the open-loop models but among all products. The calibration of HBV improved the median R by +0.12 on average compared to random parameters, highlighting the importance of model calibration. The best-to-worst performance ranking of the six models with satellite data assimilation was HBV-MSWEP+SMAPL3E, HBV-ERA5+SMAPL3E, GLEAM, SMAPL4, HBV-IMERG+SMAPL3E, and ERA5. The assimilation of SMAPL3E retrievals into HBV-IMERG improved the median R by +0.06, suggesting that data assimilation yields significant benefits at the global scale.

Hylke E. Beck↗

Using LIDAR and Quickbird Data to Model Plant Production and Quantify Uncertainties Associated with Wetland Detection and Land Cover Generalizations

Spatiotemporal data from satellite remote sensing and surface meteorology networks have made it possible to continuously monitor global plant production, and to identify global trends associated with land cover/use and climate change. Gross primary production (GPP) and net primary production (NPP) are routinely derived from the MOderate Resolution Imaging Spectroradiometer (MODIS) onboard satellites Terra and Aqua, and estimates generally agree with independent measurements at validation sites across the globe. However, the accuracy of GPP and NPP estimates in some regions may be limited by the quality of model input variables and heterogeneity at fine spatial scales. We developed new methods for deriving model inputs (i.e., land cover, leaf area, and photosynthetically active radiation absorbed by plant canopies) from airborne laser altimetry (LiDAR) and Quickbird multispectral data at resolutions ranging from about 30 m to 1 km. In addition, LiDAR-derived biomass was used as a means for computing carbon-use efficiency. Spatial variables were used with temporal data from ground-based monitoring stations to compute a six-year GPP and NPP time series for a 3600 ha study site in the Great Lakes region of North America. Model results compared favorably with independent observations from a 400 m flux tower and a process-based ecosystem model (BIOME-BGC), but only after removing vapor pressure deficit as a constraint on photosynthesis from the MODIS global algorithm. Fine resolution inputs captured more of the spatial variability, but estimates were similar to coarse-resolution data when integrated across the entire vegetation structure, composition, and conversion efficiencies were similar to upland plant communities. Plant productivity estimates were noticeably improved using LiDAR-derived variables, while uncertainties associated with land cover generalizations and wetlands in this largely forested landscape were considered less important.

Cook, Bruce D.↗

Using Explainable Artificial Intelligence to Predict Perovskite Solar Cell Electrical Metastability from Operando Photoluminescence Images in Accelerated Stress Testing

Metal halide perovskite (MHP) solar cells exhibit a metastable response to bias governed by coupled ionic–electronic processes, complicating the conventional reciprocity relation between luminescence intensity and device open-circuit voltage (V oc ). This limits the use of luminescence as a diagnostic for device screening or accelerated stress testing, motivating new approaches that can interpret photoluminescence (PL) signals under nonequilibrium conditions. From the artificial intelligence perspective, we develop an explainable deep learning framework that integrates convolutional neural networks (CNN), long short-term memory (LSTM) layers, and an attention mechanism to learn spatiotemporal features from operando photoluminescence PL image sequences. The model achieves a mean absolute error of ±0.027 V in predicting open-circuit voltage transients and reduces extreme-tail errors by up to 78% compared to physics-based reciprocity calculations. Gradient-weighted Class Activation Mapping (Grad-CAM) provides interpretability by highlighting physically meaningful regions such as electrode edges and emergent defect features. From the engineering application perspective, this framework enables accurate, contactless prediction of device V oc and identification of degradation-relevant features during accelerated aging of perovskite solar cells. This approach demonstrates how explainable AI can enhance operando diagnostics and reliability analysis in photovoltaic devices under nonequilibrium conditions.

14 SOLAR ENERGY↗

Insights Into Nature-Based Climate Solutions: Managing Forests for Climate Resilience and Carbon Stability

Successful implementation of forest management as a nature-based climate solution is dependent on the durability of management-induced changes in forest carbon storage and sequestration. As forests face unprecedented stability risks in the face of ongoing climate change, much remains unknown regarding how management will impact forest stability, or how interactions with climate might shift the response of forests to management across spatiotemporal scales. Here, we used a process-based model to simulate multidecadal projections of forest dynamics in response to changes in management and climate. Simulations were conducted across gradients in forest type, edaphic factors, and management intensity under two alternate radiative forcing scenarios (RCP4.5 and RCP8.5). This allowed for the quantification of forest stability shifts in response to climate change, and the role of management in modulating that response, where ecosystem stability is characterized as the resilience and temporal stability of net primary production, aboveground biomass, and soil carbon. Our results indicate that forest structure is primarily shaped by management, but the same management strategy often produced divergent structures over time, due to interactions with regional climate change. We found that management can be used to increase stability and minimize the release of stored carbon by reducing mortality, but also highlight the regional dependency of management-induced changes in resilience to climate change.

54 ENVIRONMENTAL SCIENCES↗

Classical Non-Markovian Noise in Symmetry-Preserving Quantum Dynamics

In quantum dynamics, symmetries are vital for identifying and assessing conserved quantities that govern the evolution of a quantum system. When promoted to the open quantum system setting, dynamical symmetries can be negatively altered by system-environment interactions, thus, complicating their analysis. Previous work on noisy symmetric quantum dynamics has focused on the Markovian setting, despite the ubiquity of non-Markovian noise in a number of widely used quantum technologies. Here, in this Letter, we develop a framework for quantifying the impact of non-Markovian noise on symmetric quantum evolution via root space decompositions and the filter function formalism. We demonstrate analytically that symmetry-preserving noise maintains the symmetric subspace, while nonsymmetric noise leads to highly specific leakage errors that are block diagonal in the symmetry representation. We support our findings with numerical studies of a transverse-field Ising model and a quantum error detecting code subject to spatiotemporally correlated multiaxis noise. Our results are broadly applicable, providing new analytic insights into the control and characterization of open quantum system dynamics.

decoherence↗

Open Source GIS Connectors to NASA GES DISC Satellite Data

The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) houses a suite of high spatiotemporal resolution GIS data including satellite-derived and modeled precipitation, air quality, and land surface parameter data. The data are valuable to various GIS research and applications at regional, continental, and global scales. On the other hand, many GIS users, especially those from the ArcGIS community, have difficulties in obtaining, importing, and using our data due to factors such as the variety of data products, the complexity of satellite remote sensing data, and the data encoding formats. We introduce a simple open source ArcGIS data connector that significantly simplifies the access and use of GES DISC data in ArcGIS.

user↗

CFD Simulation of the Dosing Behavior within the Atomic Layer Deposition Feeding System

The effective operation of atomic layer deposition (ALD) feeding system is the premise of realizing specific ALD processes. In the present work, a detailed computational fluid dynamics (CFD) model of the feeding system has been developed and validated, which accounts for the roles of ALD valves and manifolds. A numerical simulation of the compressible fluid flow and heat/mass transfer within the feeding system was conducted. The dosing amounts and the spatiotemporal distributions of the precursors can be accurately predicted using the CFD model, as validated by experimental results. Different precursors, operating conditions, and structures of the feeding system were simulated and analyzed to examine the operating flexibility of the feeding system. The simulation results can be adopted as the upstream boundary conditions for simulations of the ALD process in the reaction chamber. The substrate-scale simulation indicates that the effect of the feeding system on the film deposition is highly related to the surface kinetics of ALD. The present work can serve as a guide for the development and optimization of different ALD-based processes via proper operation and even the design of the feeding system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Limiting Data Friction by Reducing Data Download Using Spatiotemporally Aligned Data Organization Through STARE

Current data processing practice limits the volume and variety of relevant geoscience data that can practically be applied to important problems. File archives in centralized data centers are the principal means by which Earth Science data are accessed. This approach, however, requires laborious search, retrieval, and eventual customization/adaptation for the data to be used. Such fractionation makes it even more difficult to share outcomes, i.e. research artifacts and data products, hampering reusability and repeatability, since end users generally have their own research agenda and preferences as well as scarce resources. Thus, while finding and downloading data files from central data centers are already costly for end users working in their own field, using data products from other disciplines rapidly becomes prohibitive. This curtails scientific productivity, limits avenues of study, and endangers quality and reproducibility. The Spatio-Temporal Adaptive Resolution Encoding (STARE) is a unifying scheme that facilitates the indexing, access, and fusion of diverse Earth Science data. STARE implements an innovative encoding of geo-spatiotemporal information, originally developed for aligning datasets with diverse spatiotemporal characteristics in an array database. The spatial component of STARE recursively quadfurcates a root polyhedron, producing a hierarchical scheme for addressing geographic locations and regions. The temporal component of STARE uses conventional date-time units as an indexing hierarchy. The additional encoding of spatial and temporal resolution information in STARE enables comparisons and conditional selections across diverse datasets. Moreover, spatiotemporal set-operations, e.g. union and intersection, are mapped to efficient integer operations with STARE. Applied to existing data models (point, grid, spacecraft swath) and corresponding granules, STARE indexes provide a streamlined description usable as geo-spatiotemporal metadata. When coupled with large scale, distributed hardware and software, STARE-based data access reduces pre-analysis data preparation costs by offering a convenient means to align different datasets spatiotemporally without specialized effort in parallel computing or distributed data management.

Kuo, Kwo-Sen↗

A unified ensemble soil moisture dataset across the continental United States

Abstract A unified ensemble soil moisture (SM) package has been developed over the Continental United States (CONUS). The data package includes 19 products from land surface models, remote sensing, reanalysis, and machine learning models. All datasets are unified to a 0.25-degree and monthly spatiotemporal resolution, providing a comprehensive view of surface SM dynamics. The statistical analysis of the datasets leverages the Koppen-Geiger Climate Classification to explore surface SM’s spatiotemporal variabilities. The extracted SM characteristics highlight distinct patterns, with the western CONUS showing larger coefficient of variation values and the eastern CONUS exhibiting higher SM values. Remote sensing datasets tend to be drier, while reanalysis products present wetter conditions. In-situ SM observations serve as the basis for wavelet power spectrum analyses to explain discrepancies in temporal scales across datasets facilitating daily SM records. This study provides a comprehensive soil moisture data package and an analysis framework that can be used for Earth system model evaluations and uncertainty quantification, quantifying drought impacts and land–atmosphere interactions and making recommendations for drought response planning.

54 ENVIRONMENTAL SCIENCES↗

Energy Emissions Accounting Methods Can Determine Whether Direct Air Capture with Storage Achieves Net Removal

The voluntary carbon market within the United States has expanded rapidly in recent years and enabled private companies and other organizations to provide revenue streams to carbon dioxide removal (CDR) technologies. For a CDR technology to participate in the voluntary carbon market (VCM), the emissions associated with constructing and operating the technology must be less than the CO 2 captured from the atmosphere. Assessing the extent to which this is true for direct air capture with storage (DACS), a relatively energy-intensive CDR technology, strongly depends on the accounting method used to assess the emissions intensity of purchased energy. We simulate the hourly weather-dependent operation of sorbent- and solvent-based DACS in California, Louisiana, Texas, and Wyoming, representing a wide range of local weather and electric and natural gas grid compositions. In all cases, the single most important emissions accounting decision is the method used to estimate the emissions intensity of purchased grid electricity, which varies the calculated net removal by −1049% to +108%. All other factors influencing net removal introduce a variation of at most ±14%. No electricity emissions accounting method is universally conservative across all scenarios, and none is objectively more accurate. High-spatiotemporal-resolution, high-quality, publicly available data sets and models for electricity emissions accounting do not currently exist and are urgently needed to enable standardization of emissions accounting methods to more accurately determine the true emissions impacts of DACS and other energy-intensive facilities.

54 ENVIRONMENTAL SCIENCES↗

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES↗

The Sensitivity of WRF Daily Summertime Simulations over West Africa to Alternative Parameterizations. Part 1: African Wave Circulation

The performance of the NCAR Weather Research and Forecasting Model (WRF) as a West African regional-atmospheric model is evaluated. The study tests the sensitivity of WRF-simulated vorticity maxima associated with African easterly waves to 64 combinations of alternative parameterizations in a series of simulations in September. In all, 104 simulations of 12-day duration during 11 consecutive years are examined. The 64 combinations combine WRF parameterizations of cumulus convection, radiation transfer, surface hydrology, and PBL physics. Simulated daily and mean circulation results are validated against NASA's Modern-Era Retrospective Analysis for Research and Applications (MERRA) and NCEP/Department of Energy Global Reanalysis 2. Precipitation is considered in a second part of this two-part paper. A wide range of 700-hPa vorticity validation scores demonstrates the influence of alternative parameterizations. The best WRF performers achieve correlations against reanalysis of 0.40-0.60 and realistic amplitudes of spatiotemporal variability for the 2006 focus year while a parallel-benchmark simulation by the NASA Regional Model-3 (RM3) achieves higher correlations, but less realistic spatiotemporal variability. The largest favorable impact on WRF-vorticity validation is achieved by selecting the Grell-Devenyi cumulus convection scheme, resulting in higher correlations against reanalysis than simulations using the Kain-Fritch convection. Other parameterizations have less-obvious impact, although WRF configurations incorporating one surface model and PBL scheme consistently performed poorly. A comparison of reanalysis circulation against two NASA radiosonde stations confirms that both reanalyses represent observations well enough to validate the WRF results. Validation statistics for optimized WRF configurations simulating the parallel period during 10 additional years are less favorable than for 2006.

variability↗

Different methods of estimating riverbed sediment grain size diverge at the basin scale

Introduction: The distribution of sediment grain size in streams and rivers is often quantified by the median grain size (D50), a key metric for understanding and predicting hydrologic and biogeochemical function of streams and rivers. Manual D50 measurements are time-consuming and ignore larger grains, while approaches to model D50 based on catchment characteristics may over-generalize and miss site-scale heterogeneity. Machine learning-enabled object detection methods like You Only Look Once (YOLO) provides an alternative that enables estimation of D50 that is faster than manual measurements and more site-specific than predictions based on catchment characteristics. Methods: To understand the potential role of object detection methods for improving understanding of D50, we compared D50 estimates made manually, predicted from catchment characteristics, and using a YOLO-enabled approach across the Yakima River Basin. Results: We found distinct differences between methods for D50 averages and variability, and relationships between D50 estimates and basin characteristics. Discussion: We discuss the advantages and limitations of object detection methods versus current methods, and explore potential future directions to combine D50 methods to better estimate spatiotemporal variation of D50, and improve incorporation into basin-scale models.

grain size distribution↗

Final technical report for DE-SC0022255: Discovering Physically Meaningful Structures from Climate Extreme Data

The past two decades have witnessed natural disasters and extreme weather events that affect millions of people. At the same time, the data volume from high-resolution climate models, satellite, in-situ and ground-based measurements have substantially increased to petabyte scales. These new and readily accessible datasets create the previously missing pipeline required for scientific machine learning (ML) and therefore new opportunities for improved understanding and prediction capability of climate extreme events. This project developed a deep latent variable model framework to discover physically meaningful hidden structures from high-dimensional, spatiotemporal climate extreme data.

97 MATHEMATICS AND COMPUTING↗

Assessing methods in fusion and fitting for time series construction in remote sensing-based earth observations

This study evaluates the comparative performance of spatiotemporal fusion and time-series fitting methods for constructing high-spatiotemporal-resolution remote sensing time-series data. Due to in-class similarity of fusion methods and fitting methods, we employ the Fit-FC (Fitting, spatial Filtering, and residual Compensation) model as a representative fusion method and the linear harmonic fitting model as a representative fitting method. Both Fit-FC and the linear harmonic fitting are widely used for high-spatiotemporal-resolution time-series data construction, and we modify the original Fit-FC model to enable automatic time-series fusion. To ensure data representativeness, we use 3 years (2019–2021) of Harmonized Landsat and Sentinel-2 surface reflectance datasets and Terra MCD43A4 products. Eight experimental regions are selected worldwide to guarantee generalization of the comparative performance between fusion and fitting methods, covering diverse land-use types (cropland, developed land, forest, and grassland) and varying climatological conditions. Time-series of NDVI and surface reflectance are analyzed under both actual observations and simulated data-missing scenarios. The constructed time-series data reveals that (1) the modified Fit-FC and linear harmonic fitting model achieve excellent performance in constructing high-resolution time-series images; (2) the fusion method outperforms the fitting method in constructing time-series of NDVI and surface reflectance images in cropland-, forest-, and grassland-dominated regions; (3) both methods achieve comparable performance in developed-dominated regions; (4) the fusion method is more robust to missing data, and better captures abrupt phenological transitions under conditions of continuous missing data; (5) the fitting method is computationally more efficient, making it suitable for large-scale time-series image reconstruction. This study provides valuable insights for selecting optimal strategies to generate high-resolution time-series images across diverse application scenarios and lays a foundation for extensions to other vegetation indices or land surface variables.

54 ENVIRONMENTAL SCIENCES↗

Spatiotemporal Prediction of Fine Particulate Matter Using High-Resolution Satellite Images in the Southeastern US 2003-2011

Numerous studies have demonstrated that fine particulate matter (PM(sub 2.5), particles smaller than 2.5 micrometers in aerodynamic diameter) is associated with adverse health outcomes. The use of ground monitoring stations of PM(sub 2.5) to assess personal exposure, however, induces measurement error. Land-use regression provides spatially resolved predictions but land-use terms do not vary temporally. Meanwhile, the advent of satellite-retrieved aerosol optical depth (AOD) products have made possible to predict the spatial and temporal patterns of PM(sub 2.5) exposures. In this paper, we used AOD data with other PM(sub 2.5) variables, such as meteorological variables, land-use regression, and spatial smoothing to predict daily concentrations of PM(sub 2.5) at a 1 sq km resolution of the Southeastern United States including the seven states of Georgia, North Carolina, South Carolina, Alabama, Tennessee, Mississippi, and Florida for the years from 2003 to 2011. We divided the study area into three regions and applied separate mixed-effect models to calibrate AOD using ground PM(sub 2.5) measurements and other spatiotemporal predictors. Using 10-fold cross-validation, we obtained out of sample R2 values of 0.77, 0.81, and 0.70 with the square root of the mean squared prediction errors of 2.89, 2.51, and 2.82 cu micrograms for regions 1, 2, and 3, respectively. The slopes of the relationships between predicted PM2.5 and held out measurements were approximately 1 indicating no bias between the observed and modeled PM(sub 2.5) concentrations. Predictions can be used in epidemiological studies investigating the effects of both acute and chronic exposures to PM(sub 2.5). Our model results will also extend the existing studies on PM(sub 2.5) which have mostly focused on urban areas because of the paucity of monitors in rural areas.

PM2.5↗