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At least 739 records · Page 41

Spiral waves are stable in discrete element models of two-dimensional homogeneous excitable media

The spontaneous breakup of a single spiral wave of excitation into a turbulent wave pattern has been observed in both discrete element models and continuous reaction-diffusion models of spatially homogeneous 2D excitable media. These results have attracted considerable interest, since spiral breakup is thought to be an important mechanism of transition from the heart rhythm disturbance ventricular tachycardia to the fatal arrhythmia ventricular fibrillation. It is not known whether this process can occur in the absence of disease-induced spatial heterogeneity of the electrical properties of the ventricular tissue. Candidate mechanisms for spiral breakup in uniform 2D media have emerged, but the physical validity of the mechanisms and their applicability to myocardium require further scrutiny. In this letter, we examine the computer simulation results obtained in two discrete element models and show that the instability of each spiral is an artifact resulting from an unphysical dependence of wave speed on wave front curvature in the medium. We conclude that spiral breakup does not occur in these two models at the specified parameter values and that great care must be exercised in the representation of a continuous excitable medium via discrete elements.

NASA Discipline Cardiopulmonary↗

Usage of Data-Encoded Web Maps with Client Side Color Rendering for Combined Data Access, Visualization and Modeling Purposes

Current approaches to satellite observation data storage and distribution implement separate visualization and data access methodologies which often leads to the need in time consuming data ordering and coding for applications requiring both visual representation as well as data handling and modeling capabilities. We describe an approach we implemented for a data-encoded web map service based on storing numerical data within server map tiles and subsequent client side data manipulation and map color rendering. The approach relies on storing data using the lossless compression Portable Network Graphics (PNG) image data format which is natively supported by web-browsers allowing on-the-fly browser rendering and modification of the map tiles. The method is easy to implement using existing software libraries and has the advantage of easy client side map color modifications, as well as spatial subsetting with physical parameter range filtering. This method is demonstrated for the ASTER-GDEM elevation model and selected MODIS data products and represents an alternative to the currently used storage and data access methods. One additional benefit includes providing multiple levels of averaging due to the need in generating map tiles at varying resolutions for various map magnification levels. We suggest that such merged data and mapping approach may be a viable alternative to existing static storage and data access methods for a wide array of combined simulation, data access and visualization purposes.

Pliutau, Denis↗

The age distribution of global soil carbon inferred from radiocarbon measurements

Soils contain more carbon than the atmosphere and vegetation combined. An increased flow of carbon from the atmosphere into soil pools could help mitigate anthropogenic emissions of carbon dioxide and climate change. Yet we do not know how quickly soils might respond because the age distribution of soil carbon is uncertain. Here we used 789 radiocarbon (Δ 14 C) profiles, along with other geospatial information, to create globally gridded datasets of mineral soil Δ 14 C and mean age. We found that soil depth is a primary driver of Δ 14 C, whereas climate (for example, mean annual temperature) is a major control on the spatial pattern of Δ 14 C in surface soil. Integrated to a depth of 1m, global soil carbon has a mean age of 4,830 ± 1,730 yr, with older carbon in deeper layers and permafrost regions. In contrast, vertically resolved land models simulate Δ 14 C values that imply younger carbon ages and a more rapid carbon turnover. Overall, our data-derived estimates of older mean soil carbon age suggest that soils will accumulate less carbon than predicted by current Earth system models over the twenty-first century. Reconciling these models with the global distribution of soil radiocarbon will require a better representation of the mechanisms that control carbon persistence in soils.

58 GEOSCIENCES↗

Using Clustering to Establish Climate Regimes from PCM Output

A multivariate statistical clustering technique--based on the k-means algorithm of Hartigan has been used to extract patterns of climatological significance from 200 years of general circulation model (GCM) output. Originally developed and implemented on a Beowulf-style parallel computer constructed by Hoffman and Hargrove from surplus commodity desktop PCs, the high performance parallel clustering algorithm was previously applied to the derivation of ecoregions from map stacks of 9 and 25 geophysical conditions or variables for the conterminous U.S. at a resolution of 1 sq km. Now applied both across space and through time, the clustering technique yields temporally-varying climate regimes predicted by transient runs of the Parallel Climate Model (PCM). Using a business-as-usual (BAU) scenario and clustering four fields of significance to the global water cycle (surface temperature, precipitation, soil moisture, and snow depth) from 1871 through 2098, the authors' analysis shows an increase in spatial area occupied by the cluster or climate regime which typifies desert regions (i.e., an increase in desertification) and a decrease in the spatial area occupied by the climate regime typifying winter-time high latitude perma-frost regions. The patterns of cluster changes have been analyzed to understand the predicted variability in the water cycle on global and continental scales. In addition, representative climate regimes were determined by taking three 10-year averages of the fields 100 years apart for northern hemisphere winter (December, January, and February) and summer (June, July, and August). The result is global maps of typical seasonal climate regimes for 100 years in the past, for the present, and for 100 years into the future. Using three-dimensional data or phase space representations of these climate regimes (i.e., the cluster centroids), the authors demonstrate the portion of this phase space occupied by the land surface at all points in space and time. Any single spot on the globe will exist in one of these climate regimes at any single point in time. By incrementing time, that same spot will trace out a trajectory or orbit between and among these climate regimes (or atmospheric states) in phase (or state) space. When a geographic region enters a state it never previously visited, a climatic change is said to have occurred. Tracing out the entire trajectory of a single spot on the globe yields a 'manifold' in state space representing the shape of its predicted climate occupancy. This sort of analysis enables a researcher to more easily grasp the multivariate behavior of the climate system.

Oglesby, Robert↗

Newly reconstructed Arctic surface air temperatures for 1979–2021 with deep learning method

A precise Arctic surface air temperature (SAT) dataset, that is regularly updated, has more complete spatial and temporal coverage, and is based on instrumental observations, is critically important for timely monitoring and improving understanding of the rapid change in the Arctic climate. In this study, a new monthly gridded Arctic SAT dataset dated back to 1979 was reconstructed with a deep learning method by combining surface air temperatures from multiple data sources. The source data include the observations from land station of GHCN (Global Historical Climatology Network), ICOADS (International Comprehensive Ocean-Atmosphere Data Set) over the oceans, drifting ice station of Russian NP (North Pole), and buoys of IABP (International Arctic Buoy Programme). The last two are crucial for improving the representation of the in-situ observed temperatures within the Arctic. The newly reconstructed dataset includes monthly Arctic SAT beginning in 1979 and daily Arctic SAT beginning in 2011. This dataset would represent a new improvement in developing observational temperature datasets and can be used for a variety of applications.

54 ENVIRONMENTAL SCIENCES↗

Results of the second Ice Shelf–Ocean Model Intercomparison Project (ISOMIP+)

Ocean-driven basal melting of Antarctic ice shelves plays an important role in the mass loss of the Antarctic Ice Sheet. Ice shelf cavity-resolving ocean models are a valuable tool for understanding ice shelf-ocean interactions and for simulating projections of ice shelf and ocean states under future climate. Designed to assess the current state of ice shelf–ocean modelling, the second Ice Shelf–Ocean Model Intercomparison Project, ISOMIP+, consists of 12 ocean model configurations submitted with a common, idealised experimental setup. Here, we focus on the experiments Ocean0–2 (Asay-Davis et al., 2016), which are ocean models with idealised, static ice shelf geometries, but where the ocean reaches a balance with prescribed far-field ocean conditions. Different thermal transfer coefficient values (ranging from 0.011 to 0.2) are used for each model in the melting parameterisation to achieve a common, tuned melt rate since the models cover a range of types of vertical coordinates, ice–ocean boundary layer treatments, and numerical schemes. These model differences lead to spread in the resultant ocean properties, circulation, boundary-layer structure and spatial distribution of melting. We also highlight similarities between models, such as a shared linear relationship across most models between melt rate and overturning and barotropic streamfunctions during the spin-up and spin-down, demonstrating a robust relationship between melt and circulation across models and forcing conditions. The ISOMIP+ results provide a systematic comparison of ice shelf cavity-capable ocean models. However, we also demonstrate the need for realistic ice shelf–ocean model intercomparison projects (some already underway) to assess model biases and inter-model variation against sparse observations. Further research is needed to understand the differences between models and further improve our modelled representations of the ice–ocean boundary layer and ice shelf cavity circulation.

54 ENVIRONMENTAL SCIENCES↗

Symbology Development for General Aviation Synthetic Vision Primary Flight Displays for the Approach and Missed-Approach Modes of Flight

Spatial disorientation induced by inadvertent flight into instrument meteorological conditions (IMC) continues to be a leading cause of fatal accidents in general aviation. The Synthetic Vision Systems General Aviation (SVS-GA) research element, an integral part of NASA s Aviation Safety and Security Program (AvSSP), is investigating a revolutionary display technology designed to mitigate low visibility events such as controlled flight into terrain (CFIT) and low-visibility loss of control (LVLoC). The integrated SVS Primary Flight Display (SVS-PFD) utilizes computer generated 3-dimensional imagery of the surrounding terrain augmented with flight path guidance symbology. This unique combination will provide GA pilots with an accurate representation of their environment and projection of their flight path, regardless of time of day or out-the-window (OTW) visibility. The initial Symbology Development for Head-Down Displays (SD-HDD) simulation experiment examined 16 display configurations on a centrally located high-resolution PFD installed in NASA s General Aviation Work Station (GAWS) flight simulator. The results of the experiment indicate that situation awareness (SA) can be enhanced without having a negative impact on flight technical error (FTE), by providing a general aviation pilot with an integrated SVS display to use when OTW visibility is obscured.

Bartolone, Anthony P.↗

ZeoNet: 3D convolutional neural networks for predicting adsorption in nanoporous zeolites

Zeolites are one of the most widely used materials in the chemical industry due to their nanometer-sized pores that can adsorb and react upon molecules selectively. With hundreds of known framework topologies and hundreds of thousands of computationally predicted structures, the ability to rapidly predict zeolite performance allows researchers to prioritize their efforts on the most promising structures for a given application. Although the accuracy of forcefield-based atomistic simulations has advanced significantly in the past two decades, these simulations can be computationally expensive, especially for long-chain, complex molecules. Here, we present ZeoNet, a representation learning framework using convolutional neural networks (ConvNets) and 3D volumetric representations for predicting adsorption in zeolites. ZeoNet was trained on the task of predicting Henry's constants for adsorption, k H , of n-octadecane in more than 330 000 known and predicted zeolite materials. Employing a 3D grid based on the distances to solvent-accessible surfaces, a volumetric representation that can be generated efficiently, the best-performing ZeoNet achieved a correlation coefficient r 2 = 0.977 and a mean-squared error MSE = 3.8 in ln k H , which corresponds to an error of 9.3 kJ mol -1 in adsorption free energy. In comparison, a model based on hand-designed geometric features has values of r 2 = 0.783 and MSE = 35.7. ZeoNet is also relatively efficient and can process ≈8 structures per second on an Nvidia RTX 2080TI GPU, orders of magnitude faster than forcefield-based simulations. A systematic analysis was conducted to investigate how the choice of ConvNet architectures, the linear dimension (L) and spatial resolution (Δd) of the distance grids, batch size, optimizer, and learning rate impact the model performance. We found that ConvNets based on the ResNet architecture offer the best tradeoff between expressiveness and efficiency. The performance for all models reaches a plateau at L = 30–45 Å and depends less sensitively on grid resolution, with a small benefit around Δd = 0.30–0.45 Å. Finally, saliency maps were visualized to identify which regions of the materials contributed the most to model predictions. It was found, interestingly, that the predictions are driven primarily by the accessible pore volume rather than the region occupied by the framework atoms.

36 MATERIALS SCIENCE↗

A computational procedure for the dynamics of flexible beams within multibody systems

The dynamic analysis of three dimensional elastic beams which experience large rotational and large deformational motions are examined. The beam motion is modeled using an inertial reference for the translational displacements and a body-fixed reference for the rotational quantities. Finite strain rod theories are then defined in conjunction with the beam kinematic description which accounts for the effects of stretching, bending, torsion, and transverse shear deformations. A convected coordinate representation of the Cauchy stress tensor and a conjugate strain definition is introduced to model the beam deformation. To treat the beam dynamics, a two-stage modification of the central difference algorithm is presented to integrate the translational coordinates and the angular velocity vector. The angular orientation is then obtained from the application of an implicit integration algorithm to the Euler parameter/angular velocity kinematical relation. The combined developments of the objective internal force computation with the dynamic solution procedures result in the computational preservation of total energy for undamped systems. The present methodology is also extended to model the dynamics of deployment/retrieval of the flexible members. A moving spatial grid corresponding to the configuration of a deployed rigid beam is employed as a reference for the dynamic variables. A transient integration scheme which accurately accounts for the deforming spatial grid is derived from a space-time finite element discretization of a Hamiltonian variational statement. The computational results of this general deforming finite element beam formulation are compared to reported results for a planar inverse-spaghetti problem.

Downer, Janice Diane↗

Nonnegative Matrix Factorization for Efficient Hyperspectral Image Projection

Hyperspectral imaging for remote sensing has prompted development of hyperspectral image projectors that can be used to characterize hyperspectral imaging cameras and techniques in the lab. One such emerging astronomical hyperspectral imaging technique is wide-field double-Fourier interferometry. NASA's current, state-of-the-art, Wide-field Imaging Interferometry Testbed (WIIT) uses a Calibrated Hyperspectral Image Projector (CHIP) to generate test scenes and provide a more complete understanding of wide-field double-Fourier interferometry. Given enough time, the CHIP is capable of projecting scenes with astronomically realistic spatial and spectral complexity. However, this would require a very lengthy data collection process. For accurate but time-efficient projection of complicated hyperspectral images with the CHIP, the field must be decomposed both spectrally and spatially in a way that provides a favorable trade-off between accurately projecting the hyperspectral image and the time required for data collection. We apply nonnegative matrix factorization (NMF) to decompose hyperspectral astronomical datacubes into eigenspectra and eigenimages that allow time-efficient projection with the CHIP. Included is a brief analysis of NMF parameters that affect accuracy, including the number of eigenspectra and eigenimages used to approximate the hyperspectral image to be projected. For the chosen field, the normalized mean squared synthesis error is under 0.01 with just 8 eigenspectra. NMF of hyperspectral astronomical fields better utilizes the CHIP's capabilities, providing time-efficient and accurate representations of astronomical scenes to be imaged with the WIIT.

NMF↗

Water Across Synthetic Aperture Radar Data (WASARD): SAR Water Body Classification for the Open Data Cube

The detection of inland water bodies from Synthetic Aperture Radar (SAR) data provides a great advantage over water detection with optical data, since SAR imaging is not impeded by cloud cover. Traditional methods of detecting water from SAR data involves using thresholding methods that can be labor intensive and imprecise. This paper describes Water Across Synthetic Aperture Radar Data (WASARD): a method of water detection from SAR data which automates and simplifies the thresholding process using machine learning on training data created from Geoscience Australia’s WOFS algorithm. Of the machine learning models tested, the Linear Support Vector Machine was determined to be optimal, with the option of training using solely the VH polarization or a combination of the VH and VV polarizations. WASARD was able to identify water in the target area with a correlation of 97% with WOFS. Sentinel-1, Open Data Cube, Earth Observations, Machine Learning, Water Detection 1. INTRODUCTION Water classification is an important function of Earth imaging satellites, as accurate remote classification of land and water can assist in land use analysis, flood prediction, climate change research, as well as a variety of agricultural applications [2]. The ability to identify bodies of water remotely via satellite is immensely cheaper than contracting surveys of the areas in question, meaning that an application that can accurately use satellite data towards this function can make valuable information available to nations which would not be able to afford it otherwise. Highly reliable applications for the remote detection of water currently exist for use with optical satellite data such as that provided by LANDSAT. One such application, Geoscience Australia’s Water Observations from Space (WOFS) has already been ported for use with the Open Data Cube [6]. However, water detection using optical data from Landsat is constrained by its relatively long revisit cycle of 16 days [5], and water detection using any optical data is constrained in that it lacks the ability to make accurate classifications through cloud cover [2]. The alternative solution which solves these problems is water detection using SAR data, which images the Earth using cloud-penetrating microwaves. Because of its advantages over optical data, much research has been done into water detection using SAR data. Traditionally, this has been done using the thresholding method, which involves picking a polarization band and labeling all pixels for which this band’s value is below a certain threshold as containing water. The thresholding method works since water tends to return a much lower backscatter value to the satellite than land [1]. However, this method can be flawed since estimating the proper threshold is often imprecise, complicated, and labor intensive for the end user. Thresholding also tends to use data from only one SAR polarization, when a combination of polarizations can provide insight into whether water is present. [2] In order to alleviate these problems, this paper presents an application for the Open Data Cube to detect water from SAR data using support vector machine (SVM) classification. 2. PLATFORM WASARD is an application for the Open Data Cube, a mechanism which provides a simple yet efficient means of ingesting, storing, and retrieving remote sensing data. Data can be ingested and made analysis ready according to whatever specifications the researcher chooses, and easily resampled to artificially alter a scene’s resolution. Currently WASARD supports water detection on scenes from ESA’s Sentinel-1 and JAXA’s ALOS. When testing WASARD, Sentinel-1 was most commonly used due to its relatively high spatial resolution and its rapid 6 day revisit cycle [5]. With minor alterations to the application's code, however, it could support data from other satellites. 3. METHODOLOGY Using supervised classification, WASARD compares SAR data to a dataset pre-classified by WOFS in order to train an SVM classifier. This classifier is then used to detect water in other SAR scenes outside the training set. Accuracy was measured according to the following metrics:  Precision: a measure of what percentage of the points WASARD labels as water are truly water  Recall: a measure of what percentage of the total water cover WASARD was able to identify.  F1 Score: a harmonic average of the precision and recall scores Both precision and recall are calculated at the end of the training phase, when the trained classifier is compared to a testing dataset. Because the WOFS algorithm’s classifications are used as the truth values when training a WASARD classifier, when precision and recall are mentioned in this paper, they are always with respect to the values produced by WOFS on a similar scene of Landsat data, which themselves have a classification accuracy of 97% [6]. Visual representations of water identified by WASARD in this paper were produced using the function wasard_plot(), which is included in WASARD. 3.1 Algorithm Selection The machine learning model used by WASARD is the Linear Support Vector Machine (SVM). This model uses a supervised learning algorithm to develop a classifier, meaning it creates a vector which can be multiplied by the vector formed by the relevant data bands to determine whether a pixel in a SAR scene contains water. This classifier is trained by comparing data points from selected bands in a SAR scene to their respective labels, which in this case are “water” or “not water” as given by the WOFS algorithm. The SVM was selected over the Random Forest model, which outperformed the SVM in training speed, but had a greater classification time and lower accuracy, and the Multilayer Perceptron Artificial Neural Network, which had a slightly higher average accuracy than the SVM, but much greater training and classification times. Figure 1: Visual representation of the SVM Classifier. Each white point represents a pixel in a SAR scene. In Figure 1, the diagonal line separating pixels determined to be water from those determined not to be water represents the actual classification vector produced by the SVM. It is worth noting that once the model has been trained, classification of pixels is done in a similar manner as in the thresholding method. This is especially true if only one band was used to train the model. 3.1 Feature Selection Sentinel-1 collects data from two bands: the Vertical/Vertical polarization (VV) and the Vertical/Horizontal polarization (VH). When 100 SVM classifiers were created for each polarization individually, and for the combination of the two, the following results were achieved: Figure 2: Accuracy of classifiers trained using different polarization bands. Precision and Recall were measured with respect to the values produced by WOFS. Figure 2 demonstrates that using both the VV and VH bands trades slightly lower recall for significantly greater precision when compared with the VH band alone, and that using the VV band alone is inferior in both metrics. WASARD therefore defaults to using both the VV and VH bands, and includes the option to use solely the VH band. The VV polarization’s lower precision compared to the VH polarization is in contrast to results from previous research and may merit further analysis [4]. 3.2 Training a Classifier The steps in training a classifier with WASARD are 1. Selecting two scenes (one SAR, one optical) with the same spatial extents, and acquired close to each other in time, with a preference that the scenes are taken on the same day. 2. Using the WOFS algorithm to produce an array of the detected water in the scene of optical data, to be used as the labels during supervised learning 3. Data points from the selected bands from the SAR acquisition are bundled together into an array with the corresponding labels gathered from WOFS. A random sample with an equal number of points labeled “Water” and “Not Water” is selected to be partitioned into a training and a testing dataset 4. Using Scikit-Learn’s LinearSVC object, the training dataset is used to produce a classifier, which is then tested against the testing dataset to determine its precision and recall The result is a wasard_classifier object, which has the following attributes: 1. f1, recall, and precision: 3 metrics used to determine the classifier’s accuracy 2. Coefficient: Vector which the SVM uses to make its predictions. The classifier detects water when the dot product of the coefficient and the vector formed by the SAR bands is positive 3. Save(): allows a user to save a classifier to the disk in order to use it without retraining 4. wasard_classify(): Classifies an entire xarray of SAR data using the SVM classifier All of the above steps are performed automatically when the user creates a wasard_classifier object. 3.3 Classifying a Dataset Once the classifier has been created, it can be used to detect water in an xarray of SAR data using wasard_classify(). By taking the dot product of the classifier’s coefficients and the vector formed by the selected bands of SAR data, an array of predictions is constructed. A classifier can effectively be used on the same spatial extents as the ones where it was trained, or on any area with a similar landscape. While

Kreiser, Zachary↗

FM4NPP: A Scaling Foundation Model for Nuclear and Particle Physics

Large language models have revolutionized artificial intelligence by enabling large, generalizable models trained through self-supervision. This paradigm has inspired the development of scientific foundation models (FMs). However, applying this capability to experimental particle physics is challenging due to the sparse, spatially distributed nature of detector data, which differs dramatically from natural language. This work addresses if an FM for particle physics can scale and generalize across diverse tasks. We introduce a new dataset with more than 11 million particle collision events and a suite of downstream tasks and labeled data for evaluation. We propose a novel self-supervised training method for detector data and demonstrate its neural scalability with models that feature up to 188 million parameters. With frozen weights and task-specific adapters, this FM consistently outperforms baseline models across all downstream tasks. The performance also exhibits robust data-efficient adaptation. Further analysis reveals that the representations extracted by the FM are task-agnostic but can be specialized via a single linear mapping for different downstream tasks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Model bias in simulating major chemical components of PM 2.5 in China

High concentrations of PM 2.5 (particulate matter with an aerodynamic diameter less than 2.5 µm) in China have caused severe visibility degradation. Accurate simulations of PM 2.5 and its chemical components are essential for evaluating the effectiveness of pollution control strategies and the health and climate impacts of air pollution. In this study, we compared the GEOS-Chem model simulations with comprehensive datasets for organic aerosol (OA), sulfate, nitrate, and ammonium in China. Model results are evaluated spatially and temporally against observations. The new OA scheme with a simplified secondary organic aerosol (SOA) parameterization significantly improves the OA simulations in polluted urban areas, highlighting the important contributions of anthropogenic SOA from semivolatile and intermediate-volatility organic compounds. The model underestimates sulfate and overestimates nitrate for most of the sites throughout the year. More significant underestimation of sulfate occurs in winter, while the overestimation of nitrate is extremely large in summer. The model is unable to capture some of the main features in the diurnal pattern of the PM 2.5 chemical components, suggesting inaccuracies in the presented processes. Potential model adjustments that may lead to a better representation of the boundary layer height, the precursor emissions, hydroxyl radical concentrations, the heterogeneous formation of sulfate and nitrate, and the wet deposition of nitric acid and nitrate have been tested in the sensitivity analysis. The results show that uncertainties in chemistry perhaps dominate the model biases. The proper implementation of heterogeneous sulfate formation and the good estimates of the concentrations of sulfur dioxide, hydroxyl radical, and aerosol liquid water are essential for the improvement of the sulfate simulation. The update of the heterogeneous uptake coefficient of nitrogen dioxide significantly reduces the modeled concentrations of nitrate. However, the large overestimation of nitrate concentrations remains in summer for all tested cases. The possible bias in the chemical production and the wet deposition of nitrate cannot fully explain the model overestimation of nitrate, suggesting issues related to the atmospheric removal of nitric acid and nitrate. A better understanding of the atmospheric nitrogen budget, in particular, the role of the photolysis of particulate nitrate, is needed for future model developments. Moreover, the results suggest that the remaining underestimation of OA in the model is associated with the underrepresented production of SOA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Graph neural networks for efficient learning of mechanical properties of polycrystals

Herein we present graph neural networks (GNNs) as an efficient and accurate machine learning approach to predict mechanical properties of polycrystalline materials. Here, a GNN was developed based on graph representation of polycrystals incorporating only fundamental features of grains including their crystallographic orientation, size, and grain neighbor connectivity information. We tested our method on modeling stiffness and yield strength of α -Ti microstructures, varying in their crystallographic texture. We find the GNN predicts both properties with high accuracy with mean relative errors of ~1% for unseen microstructures from a given set of textures and < 2% for microstructures of unseen texture, even when presented with limited training data. This accuracy is comparable to methods that require high-resolution three-dimensional (3D) microstructure data, such as 3D convolutional neural networks (3D-CNNs) and models that depend on the computation of spatial statistics. The present results show that graph-based deep learning is a promising framework for property prediction, especially considering the high cost associated with obtaining high-resolution 3D microstructure data and the general scarcity of experimental materials datasets.

36 MATERIALS SCIENCE↗

Comparison of Eulerian Bin and Lagrangian Particle-Based Microphysics in Simulations of Nonprecipitating Cumulus

A single nonprecipitating cumulus congestus setup is applied to compare droplet spectra grown by the diffusion of water vapor in Eulerian bin and particle-based Lagrangian microphysics schemes. Bin microphysics represent droplet spectral evolution applying the spectral density function. In the Lagrangian microphysics, computational particles referred to as superdroplets are followed in time and space with each superdroplet representing a multiplicity of natural cloud droplets. The same cloud condensation nuclei (CCN) activation and identical representation of the droplet diffusional growth allow the comparison. The piggybacking method is used with the two schemes operating in a single simulation, one scheme driving the dynamics and the other one piggybacking the simulated flow. Piggybacking allows point-by-point comparison of droplet spectra predicted by the two schemes. Overall, the results show the impact of inherent limitations of the two microphysics simulation methods, numerical diffusion in the Eulerian scheme and a limited number of superdroplets in the Lagrangian scheme. Numerical diffusion in the Eulerian scheme results in a more dilution of the cloud upper half and thus smaller cloud droplet mean radius. The Lagrangian scheme typically has larger spatial fluctuations of droplet spectral properties. A significantly larger mean spectral width in the bin microphysics across the entire cloud depth is the largest difference between the two schemes. A fourfold increase of the number of superdroplets per grid volume and a twofold increase of the spectral resolution and thus the number of bins have small impact on the results and provide only minor changes to the comparison between simulated cloud properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Random field optimization

Herein we present a new modeling paradigm for optimization that we call random field optimization. Random fields are a powerful modeling abstraction that aims to capture the behavior of random variables that live on infinite-dimensional spaces (e.g., space and time) such as stochastic processes (e.g., time series, Gaussian processes, and Markov processes), random matrices, and random spatial fields. This paradigm involves sophisticated mathematical objects (e.g., stochastic differential equations and space-time kernel functions) and has been widely used in neuroscience, geoscience, physics, civil engineering, and computer graphics. Despite of this, however, random fields have seen limited use in optimization; specifically, existing optimization paradigms that involve uncertainty (e.g., stochastic programming and robust optimization) mostly focus on the use of finite random variables. This trend is rapidly changing with the advent of statistical optimization (e.g., Bayesian optimization) and multi-scale optimization (e.g., integration of molecular sciences and process engineering). Our work extends a recently-proposed abstraction for infinite-dimensional optimization problems by capturing more general uncertainty representations. Moreover, we discuss solution paradigms for this new class of problems based on finite transformations and sampling, and identify open questions and challenges.

97 MATHEMATICS AND COMPUTING↗

Urban morphology from a landscape perspective: How building morphology distribution land models (BMDLM) emulate pattern and process

Urban form (e.g., building morphology such as height or footprint) can be used to predict environmental footprints, such as energy/water consumption and carbon emissions. Although progress has been made in predicting building characteristics to fill gaps in observation or derive 3-D representations, the relationships between morphology and other variables such as land use and population are poorly understood. Understanding these relationships may enable projections for how cities will evolve with landscapes in the future. A suite of random forest models, the Building Morphology Distribution Land Models (BMDLM), was developed to determine how well building morphology for two distinct statistical measures (central tendency and frequency) can be predicted using land use (e.g., zoning) and population at different resolutions. Clark County, Nevada and Los Angeles County, California are explored as case studies. Generally, 1-km models outperformed 30-m models. Frequency distribution models had the best performance, especially in LA County. Frequency models significantly outperformed spatial autocorrelative models using inverse distance weighting (IDW). BMDLM offers a new take on modeling urban form in which generalized landscape patterns are characterized to understand the influence of population and zoning on urban development, as described by urban scaling theory.

Sturtevant, Jillian [Baylor Univ., Waco, TX (Unite↗

Dynamic edge warping - An experimental system for recovering disparity maps in weakly constrained systems

Dynamic edge warping (DEW), a technique for recovering reasonably accurate disparity maps from uncalibrated stereo image pairs, is presented. No precise knowledge of the epipolar camera geometry is assumed. The technique is embedded in a system including structural stereopsis on the front end and robust estimation in digital photogrammetry on the other for the purpose of self-calibrating stereo image pairs. Once the relative camera orientation is known, the epipolar geometry is computed and the system can use this information to refine its representation of the object space. Such a system will find application in the autonomous extraction of terrain maps from stereo aerial photographs, for which camera position and orientation are unknown a priori, and for online autonomous calibration maintenance for robotic vision applications, in which the cameras are subject to vibration and other physical disturbances after calibration. This work thus forms a component of an intelligent system that begins with a pair of images and, having only vague knowledge of the conditions under which they were acquired, produces an accurate, dense, relative depth map. The resulting disparity map can also be used directly in some high-level applications involving qualitative scene analysis, spatial reasoning, and perceptual organization of the object space. The system as a whole substitutes high-level information and constraints for precise geometric knowledge in driving and constraining the early correspondence process.

Boyer, K. L.↗