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Global Variability in Sonic Boom Exposure due to Macroscopic Effects

Supersonic flight over land has been prohibited since 1973 due to the loudness of sonic booms. NASA is building the X-59 aircraft as part of its Quesst mission to demonstrate low-loudness shaped sonic booms, or “sonic thumps.” The Quesst mission will gather human perception data via a series of community noise surveys across the USA. The noise dose and perceptual response data will be provided to the International Civil Aviation Organization (ICAO) and the Federal Aviation Administration for use in determining potential future supersonic aircraft noise certification standards, effectively changing the prohibition from a speed limit to a noise limit. These noise regulations must be globally effective, as long travel distances see the largest benefit to supersonic flight. The state of the atmosphere through which a sonic boom travels affects the size of the region exposed to sound, the “carpet width” (CW), as well as the loudness. The focus of this dissertation is to understand and quantify the expected loudness and CW of sonic booms due to the macroscopic atmospheric effects around the world. A pair of large-scale propagation simulation studies were conducted using the NASA PCBoom code to compare predicted sonic boom loudness and CW statistics first across the USA and then across the world. For the USA study, near-field data of the X-59 in steady cruise was propagated at 4 cardinal headings at 138 locations through 5 years of Climate Forecast System Version 2 (CFSv2) atmospheric profiles. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, latitude, ground elevation, season, and heading. It also noted the unimportance of time of day for predicting loudness and CW. The data is visualized in aggregate, and then broken out geographically, by season and heading, and by climate zone. Multiple linear regression models were fit to the data from the 138 locations so that estimates of the loudness and CW can be produced anywhere in the US. The results can aid in planning when and where to fly the X-59. For the global study, near-field data from three aircraft, the X-59 in a quiet and loud configuration, B-58, and Concorde, were propagated at four cardinal headings through data from three atmospheric models, the CFSv2, the Global Forecast System (GFS), and the ECMWF Reanalysis Version 5 (ERA5), at 100 global locations over 1 year. Results of a bootstrap forest predictor screening model indicated the importance of climate zone, ground elevation, season, and heading. Similar to the US study, the model indicated time of day was not an important predictor. The model also indicated that choice of weather model was not important, so the atmospheric model data are effectively interchangeable. The ERA5 model was chosen for use in an extension of the study to include 18 additional locations to ensure sampling of every climate zone. Loudness and CW results are shown in aggregate, and split geographically and by heading, season, and climate. Multiple linear regression models were fit to the data from the 118 locations so that estimates of loudness and CW can be produced around the world. N-waves and shaped booms did not have the same global variability. Koppen-Geiger climate zones were used as the climate zone definition for the global study. These are available as present-day and future climate projections. Making use of the multiple linear regression models, the future climate zones were input to estimate the effect of the changing climate on sonic boom loudness and CW. Results indicate that a changing climate would have little impact on the effectiveness of noise regulations.

X-59↗

A Lightweight I/O Scheme to Facilitate Spatial and Temporal Queries of Scientific Data Analytics

In the era of petascale computing, more scientific applications are being deployed on leadership scale computing platforms to enhance the scientific productivity. Many I/O techniques have been designed to address the growing I/O bottleneck on large-scale systems by handling massive scientific data in a holistic manner. While such techniques have been leveraged in a wide range of applications, they have not been shown as adequate for many mission critical applications, particularly in data post-processing stage. One of the examples is that some scientific applications generate datasets composed of a vast amount of small data elements that are organized along many spatial and temporal dimensions but require sophisticated data analytics on one or more dimensions. Including such dimensional knowledge into data organization can be beneficial to the efficiency of data post-processing, which is often missing from exiting I/O techniques. In this study, we propose a novel I/O scheme named STAR (Spatial and Temporal AggRegation) to enable high performance data queries for scientific analytics. STAR is able to dive into the massive data, identify the spatial and temporal relationships among data variables, and accordingly organize them into an optimized multi-dimensional data structure before storing to the storage. This technique not only facilitates the common access patterns of data analytics, but also further reduces the application turnaround time. In particular, STAR is able to enable efficient data queries along the time dimension, a practice common in scientific analytics but not yet supported by existing I/O techniques. In our case study with a critical climate modeling application GEOS-5, the experimental results on Jaguar supercomputer demonstrate an improvement up to 73 times for the read performance compared to the original I/O method.

Temporal Queries↗

FPGA Acceleration of GCN in Light of the Symmetry of Graph Adjacency Matrix

Graph Convolutional Neural Networks (GCNs) are widely used to process large-scale graph data. Different from deep neural networks (DNNs), GCNs are sparse, irregular, and unstructured, posing unique challenges to hardware acceleration with regular processing elements (PEs). In particular, the adjacency matrix of a GCN is extremely sparse, leading to frequent but irregular memory access, low spatial/temporal data locality and poor data reuse. Furthermore, a realistic graph usually consists of unstructured data (e.g., unbalanced distributions), creating significantly different processing times and imbalanced workload for each node in GCN acceleration. To overcome these challenges, we propose an end-to-end hardware-software co-design to accelerate GCNs on resource-constrained FPGAs with the features including: (1) A custom dataflow that leverages symmetry along the diagonal of the adjacency matrix to accelerate feature aggregation for undirected graphs. We utilize either the upper or the lower triangular matrix of the adjacency matrix to perform aggregation in GCN to improve data reuse. (2) Unified compute cores for both aggregation and transform phases, with full support to the symmetry-based dataflow. These cores can be dynamically reconfigured to the systolic mode for transformation or as individual accumulators for aggregation in GCN processing. (3) Preprocessing of the graph in software to rearrange the edges and features to match the custom dataflow. This step improves the regularity in memory access and data reuse in the aggregation phase. Moreover, we quantize the GCN precision from FP32 to INT8 to reduce the memory footprint without losing the inference accuracy. We implement our accelerator design in Intel Stratix10 MX FPGA board with HBM2, and demonstrate 1.3x-110.5x improvement in end-to-end GCN latency as compared to the state-of the-art FPGA implementations, on the graph datasets of Cora, Pubmed, Citeseer and Reddit.

Nair, Gopikrishnan R.↗

Alkali-silica reaction expansion model for confined concrete with stress-dependency and casting direction anisotropy

Alkali-silica reaction (ASR) is a deleterious chemical reaction between alkali hydroxyl ions and types of silica found in some aggregates of concrete. Owners and regulators of nuclear power plants aim to ensure the safety of the concrete structures with optimal maintenance strategies. A new model was developed for predicting the expansion of concrete structures affected by alkali-silica reaction. The model includes a novel combination of existing models as an alkali-silica reaction advancement model, a casting direction anisotropic expansion model, a stress-dependent anisotropic expansion model, and a material property evolution model dependent on the degree of ASR expansion. The model parameters were calibrated based on existing literature data and data generated by previous efforts of this study. The calibrated model was then validated with the experiments carried out in previous efforts of this study. The model was shown to accurately predict the ASR-expansion of large-scale reinforced concrete specimens with confinement.

36 MATERIALS SCIENCE↗

PyPop: a mature open-source software pipeline for population genomics

Python for Population Genomics (PyPop) is a software package that processes genotype and allele data and performs large-scale population genetic analyses on highly polymorphic multi-locus genotype data. In particular, PyPop tests data conformity to Hardy-Weinberg equilibrium expectations, performs Ewens-Watterson tests for selection, estimates haplotype frequencies, measures linkage disequilibrium, and tests significance. Standardized means of performing these tests is key for contemporary studies of evolutionary biology and population genetics, and these tests are central to genetic studies of disease association as well. Here, we present PyPop 1.0.0, a new major release of the package, which implements new features using the more robust infrastructure of GitHub, and is distributed via the industry-standard Python Package Index. New features include implementation of the asymmetric linkage disequilibrium measures and, of particular interest to the immunogenetics research communities, support for modern nomenclature, including colon-delimited allele names, and improvements to meta-analysis features for aggregating outputs for multiple populations.

59 BASIC BIOLOGICAL SCIENCES↗

Evaluation of cloud height, optical thickness, and phase retrievals from the CHROMA algorithm applied to Sentinel-3 OLCI data

We previously developed the Cloud Height Retrieval from O 2 Molecular Absorption (CHROMA) algorithm for the Ocean Color Instrument (OCI) on the new NASA Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission. Here, we apply CHROMA to observations from the Ocean Land Colour Instrument (OLCI) to guide expectations for PACE, as it will take some time to obtain large-scale validation data for OCI. We use cloud top height (CTH), phase, and (for liquid clouds) cloud optical thickness (COT) data from the ground-based Atmospheric Radiation Measurement (ARM) network to evaluate the OLCI retrievals. We found that OLCI and Moderate Resolution Imaging Spectroradiometer (MODIS) CTH compare similarly well to the ARM reference. OLCI has a tendency to underestimate CTH as CTH increases, and algorithm assumptions about cloud geometric thickness may contribute to this. ARM COT from multifilter shadowband radiometers (MFRSR) and Sun photometers are well-correlated with one another, albeit with a roughly 30 % offset on average; OLCI and MODIS COT agree more closely with the MFRSR data. OLCI retrieval uncertainty estimates show skill at telling low-uncertainty cases from high-uncertainty ones, although CTH uncertainties are underestimated. Additionally, we compare the OLCI data to satellite retrievals based on thermal infrared measurements from MODIS and Sea and Land Surface Temperature Radiometer (SLSTR) data. Differences are broadly consistent with physical expectations based on the A-band vs. thermal techniques, although one key challenge in such aggregated comparisons is different cloud masking sensitivities and algorithm failure rates meaning additional sampling differences are introduced. We conclude by discussing the transition to and possible enhancements for PACE OCI.

Sayer, Andrew M. [Univ. of Maryland Baltimore Coun↗

HydraGNN v4.0

The new version of HydraGNN v4.0 provides additional core capabilities, such as: Inclusion of multi-body atomistic cluster expansion MACE, polarizable atom interaction neural network PAINN, and equivariant principal neighborhood aggregation (PNAEq) among the message passing layers supported -Inclusion of graph transformers to directly model long-range interactions between nodes that are distant in the graph topology Integration of graph transformers with message passing layers by combining the graph embedding generated by the two mechanisms, which allows for an improved expressivity of the HydraGNN architecture Improved re-implementation of multi-task learning (MTL) to allow its use for stabilized training across imbalanced, multi-source, multi-fidelity data Introduction of multi-task parallelism, a newly proposed type of model parallelism specifically for MTL architectures, which allows to dispatch different output decoding heads to different GPU devices Integration of multi-task parallelism with pre-existing distributed data parallelism to enable a 2D parallelization for distributed training Improved portability of the distributed training across Intel GPUs, which has been testes on ALCF exascale supercomputer Aurora Inclusion of 2-level fine-grained energy profilers portable across NVIDIA, AMD, and Intel GPUs to monitor the power and energy consumption associated with different functions executed by the HydraGNN code during data pre-load and training Restructuring of previous examples and inclusion of new sets of examples to illustrate the download, preprocess, and training of HydraGNN models on new large-scale open-source datasets for atomistic materials modeling (e.g., Alexandria, Transition1x, OMat24, OMol25)

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗

A Case for Nebula Scale Mixing Between Non-Carbonaceous and Carbonaceous Chondrite Reservoirs: Testing the Grand Tack Model with Chromium Isotopic Composition of Almahata Sitta Stone 91A

There is an increasing number of Cr-O-Ti isotope studies that show solar system materials are divided into two main populations, one carbonaceous chondrite (CC)-like and the other is non-carbonaceous (NC)-like, with minimal mixing attributed to a gap opened in the protoplanetary disk due to Jupiter's formation. The Grand Tack model suggests there should be large-scale mixing between S- and C-type asteroids, an idea supported by our recent work on chondrule (Delta)17O-ε54Cr isotope systematics. The Almahata Sitta (AhS) meteorite provides a unique opportunity to test the Grand Tack model. The meteorite fell to Earth in October 2008 and has been linked to the asteroid 2008 TC3 which was discovered just prior to the fall of the AhS stones. The AhS meteorite is composed of up to 700 individual pieces with approx.140 of those pieces having some geochemical and/or petrologic studies. Almahata Sitta is an anomalous polymict ureilite with other meteorite components, including enstatite, ordinary, and carbonaceous chondrites with an approximate abundance of 70% ureilites and 30% chondrites. This observation has lead to the suggestion that TC3 2008 was a loosely aggregated rubble pile-like asteroid with the non-ureilite sample clasts within the rubble-pile. Due to the loosely-aggregated nature of AhS, the object disintegrated during atmospheric entry resulting in the weakly held clasts falling predominantly as individual stones in the AhS collection area. However, recent work has identified one sample of AhS, sample 91A, which may represent two different lithologies coexisting within a single stone. The predominate lithology type in 91A appears to be that of a C2 chondrite based on mineralogy but also contains olivine, pyroxene, and albite that have ureilite-like compositions. Previous Cr isotope investigations into AhS stones are sparse and what data is available show nearly uniform isotopic composition similar to that of typical ureilites with negative ε54Cr values.

Sanborn, M. E.↗

Investigating Low-Altitude Constellations of Ad-Hoc Lunar PNT System for Distributed Spacecraft Autonomy

In this study, we examine a low-altitude Lunar Position, Navigation, and Timing (LPNT) constellations and the localization performance of Centralized Extended Kalman Filter (CEKF) and Decentralized Extended Kalman Filter (DEKF) algorithms. The primary investigation involves a 100-node swarm operating at a 100 km altitude, in contrast to previous studies that examined a 21-node asset in a frozen-orbit at 5,500 km. The autonomous operation of large-scale swarm is based on two-way Inter-Satellite Link (ISL) measurements, which involve pseudoranges and relative velocities among swarm nodes. We perform a numerical assessment of the two filtering approaches, utilizing ‘fully sampled’ measurements from all available assets as well as ‘two ISL’ measurements where each spacecraft is restricted to only two antennas. This research includes an analysis of CEKF under 2-ISL constraints and evaluates the performance of DEKF in a 100-node swarm, which has not been explored in previous studies. In addition, we examine the impact of increasing the sampling frequency for DEKF, showing that the update cycle can be shortened from a 10-minute interval. A novel approach for ‘2-ISL limited’ DEKF will also be introduced, using a matching formulation that exhaustively enumerates all potential matches. This study provides valuable insights into large-scale distributed swarm operations, considering various filter configurations, sampling frequencies, matching strategies, and scalability of CEKF and DEKF for low-altitude LPNT applications. The Lunar PNT technology plays a key role in providing reliable and robust navigation services on the Moon's surface and the South pole, where the primary Lunar missions are planned. To support upcoming Lunar missions, including small satellites from NASA's Commercial Lunar Payload Services program, the Lunar PNT system must be adaptable to smaller platforms like CubeSats. Driven by the growing involvement of public and private exploration partnerships, the traditional low Earth orbit missions are shifting to beyond geosynchronous orbit [1]. These upcoming missions aim to foster a sustainable and innovative exploration program, in collaboration with commercial and international partners, to facilitate human expansion throughout the solar system and return new knowledge and opportunities to Earth [2]. As part of this trend, there are increasing efforts to utilize science missions in Lunar orbit to develop a non-dedicated and ad-hoc PNT network system. Two traditional approaches, the Deep Space Network (DSN) and the weak signal Global Positioning System (GPS), are established deep-space navigation technologies for missions beyond the geosynchronous orbit. Beginning in 1958, the DSN was developed to communicate with the Explorer 1 spacecraft based on the use of radiometric tracking in spacecraft navigation [3]. The DSN is capable of providing nearly unfettered coverage to spacecraft beyond low-Earth orbit (LEO), however, increased space mission volume has created concerns about future expectations of DSN usage for spacecraft navigation [4]. For cislunar mission applications, the position accuracy using DSN achieves 100 m (3σ) with at least three geometrically diverse ground stations when using radiometric tracking alone [5]. The DSN's dependence on Earth-based ground stations restricts its operational capabilities to periods of Earth visibility. This limitation, coupled with its poor localization performance, renders the DSN unsuitable for future lunar missions that demand continuous tracking and precise positioning. To satisfy the increasing requirements of DSN in Lunar applications, spacecrafts are also required to improve their onboard antenna power and efficiency of the transmission. However, there is an important aggregate cost trade between adding capabilities to every spacecraft and adding to a capacity on the ground that serves multiple spacecraft [6]. A weak GPS system can provide PNT service while the user spacecraft is bound to the Moon, leveraging a single, steerable high gain antenna with the relatively narrow beam which includes all the sources in its field of view [7]. However, the higher the altitude the receiver is above the GPS constellations, the poorer and the weaker are the relative geometry and the received signal powers, respectively, leading to a significant navigation accuracy reduction [8]. The transmitted power becomes weaker with increasing distance from the Earth as well as signals tracked from one of the side lobes of the GPS antenna pattern. As a results, the number of visible satellites and relative geometric condition of the GPS satellites at very high altitude drops dramatically and reduces the navigation solution accuracy. Therefore, the weak GPS system is also not an ideal way to provide PNT service to upcoming Lunar missions when considering its limited geometric condition and the recued navigation accuracy. Another navigation approach on the Moon is being developed, similar to the Global Navigation Satellite System (GNSS) on Earth, aiming to offer navigation service with continuous 24/7 coverage across the entire Lunar surface. For example, lunar communications relay and navigation systems (LCRNS) by NASA and Lunar navigation satellite systems (LNSS) by JAXA are designed to serve as dedicated Position, Navigation, and Timing (PNT) systems for the Moon. However, designing a dedicated LNSS and PNT service involves additional challenges, which are unique to the lunar environment, including limited payload capacity for the CubeSat platform, i.e., the size, weight, and power (SWaP) of the onboard clock, limited lunar ground monitoring stations, and limited financial investment as compared to the legacy Earth-GPS [9]. NASA’s focus on utilizing CubeSat platforms on the Moon leads to an alternative Lunar navigation platform that leverages the existing Lunar science and exploration assets. The small satellites used in Lunar missions can be used to create a low-cost, autonomous, ad-hoc, and on-demand mission-centric Lunar PNT swarm capable of providing PNT services to these low-cost lunar missions [10]. As upcoming Lunar missions will often operate at low-altitude about 30 km to 100 km for scientific observations and mapping purposes, the low-altitude orbital constellations could be employed to create an ad-hoc Lunar PNT system. However, several issues must be addressed, such as the instability of these orbits, which often require maintenance or are only suitable for short-duration missions, operating for fewer than 90 days. Additionally, at an altitude of 100 km, the satellites have a limited period during which they are above the horizon and capable of providing PNT service to users. The implementation of a non-dedicated, ad-hoc Lunar navigation constellation facilitates on-demand PNT services. A preliminary study of ad-hoc Lunar PNT system was conducted using 21 spacecraft in 5,5000 km altitude frozen orbits to test its feasibility and a basic performance of orbital asset localization among ad-hoc Lunar constellations in small satellites format [10]. These swarm assets are designed for autonomous localization with minimal Earth interaction, reducing dependency on bandwidth and ground resources. The design in [10] demonstrated the feasibility of a decentralized PNT approach, specifically employing a DEKF approach for state estimation, which helps minimize onboard operating costs. The DEKF method distributes computation across individual satellites, which lightens the computational load while maintaining accuracy in orbit ephemeris and clock offsets, similar to centralized systems [11]. In a follow-on study [12], each spacecraft was limited to 2 communications antennae, forcing the selection of measurements and scheduling spacecraft activities to perform the measurements. A matching algorithm is implemented to select the best measurements and schedule position estimation updates. The decentralized localization performance is also investigated with increasing levels of network degradation for swarm assets considering the impact of intermittent and permanent communication failure, to demonstrate the robustness and fidelity of the decentralized Lunar PNT service [13]. This study confirmed that the ad-hoc PNT constellations in frozen orbit are highly robust and resilient to communication failures. However, unlike frozen orbit swarm assets, the low-altitude satellites have a limited ground view at an altitude of 100 km, where the ad-hoc Lunar constellation consists of 98 low-altitude satellites, evenly distributed across seven circular polar orbital planes, alongside two satellites in a frozen orbit at an altitude of 5,500 km (Figure 1). Therefore, the number of satellites visible to ground users is significantly limited in low-altitude orbit constellations. As each visibility of a spacecraft remains intact for only a few ticks before it moves out of the field of view, the ground user encounters challenges in maintaining continuous navigation service, resulting in sparse availability and provision of Lunar PNT system. Consequently, service availability is primarily restricted to the Lunar South Pole region (Figure 2). Given these limitations and concerns, the localization performance of low-altitude swarm assets will be assessed in this study. We focus on the investigation of the localization performance of low-altitude swarm assets and ground users near the Lunar South Pole. The overall flow of the Lunar PNT simulation incorporates the DEKF approach of asset localization and the weighted least-squares approach in user localization (Figure 3). The autonomous Lunar PNT simulation is primarily implemented in MATLAB, where the DEKF based on the matching scheduler is implemented with Google’s OR-tools as a model builder and Gurobi optimization tool as a backend solver. The General Mission Analysis Tool (GMAT) is utilized to generate ephemeris data for swarm assets, and accounts for satellite orbital details, mass, and perturbations like solar radiation pressure and drag coefficients. Each ephemeris dataset is produced in the Moon International Celestial Reference Frame (ICRF) inertial coordinate system. For state estimation, the distributed swarm assets rely on two-way Inter-Satellite Link (ISL) measurements, which involve tracking pseudoranges and relative velocities between visible satellites and anchor nodes during each observation. Numerical evaluations of the decentralized localization process are conducted to demonstrate the feasibility of the low-altitude PNT system in providing reliable navigation services. The main approach involves using DEKF and CEKF to localize 100 satellites in low-altitude constellations, where the CEKF is implemented to serve as a baseline for comparing the performance of distributed algorithms. In both cases, we evaluate ‘fully sampled’ measurements from all available assets, and ‘two ISL’ measurements when spacecraft are constrained to have only two antennas. We test four estimation techniques: CEKF fully sampled, CEKF two ISL, DEKF fully sampled, and DEKF two ISL filters. As the DEKF update cycle is comprised of network setup, communication, and computations, a global broadcast network and 2-way ISL network setup will take from 4 to 6 minutes as maximum [12]. In this simulation, the DEKF update cycle is set to 10 minutes, including a 4-minute latency for obtaining and computing the actual measurement updates. We experiment an increased update cycle to demonstrate the feasibility and evaluate the impact on localization performance using various tuning values for measurement noise covariances (Figures 4 and 5). By comparing centralized and decentralized approaches using a matching algorithm, we analyze the influence of cross-correlation factors in the covariance matrix, assuming 100% reliability of all assets and measurements. The increased frequency and the adjustments of tuning parameters reveal distinct error patterns between the two scenarios. The localization accuracy of the swarm assets and ground users is assessed by taking the median error across 100 assets and one ground user (84.9°S, 137.5°E) over 7-day simulation period (Table 1). Since the user localization accuracy is significantly affected by the performance of the swarm assets, it is crucial to maintain high localization accuracy within the swarm. This study will continue to explore decentralized filtering for autonomous LPNT operations, with further investigation of an 'iterative' matching approach which enumerates every valid matching pair, planned for the following month.

Yeji Kim↗

Exploring Climate-Disease Connections in Geopolitical Versus Ecological Regions: The Case of West Nile Virus in the United States

Many infectious disease forecasting models in the United States (US) are built with data partitioned into geopolitical regions centered on human activity as opposed to regions defined by natural ecosystems; although useful for data collection and intervention, this has the potential to mask biological relationships between the environment and disease. We explored this concept by analyzing the correlations between climate and West Nile virus (WNV) case data aggregated to geopolitical and ecological regions. We compared correlations between minimum, maximum, and mean annual temperature; precipitation; and annual WNV neuroinvasive disease (WNND) case data from 2005 to 2019 when partitioned into (a) climate regions defined by the National Oceanic and Atmospheric Administration (NOAA) and (b) Level I ecoregions defined by the Environmental Protection Agency (EPA). We found that correlations between climate and WNND in NOAA climate regions and EPA ecoregions were often contradictory in both direction and magnitude, with EPA ecoregions more often supporting previously established biological hypotheses and environmental dynamics underlying vector-borne disease transmission. Using ecological regions to examine the relationships between climate and disease cases can enhance the predictive power of forecasts at various scales, motivating a conceptual shift in large-scale analyses from geopolitical frameworks to more ecologically meaningful regions.

60 APPLIED LIFE SCIENCES↗

The Collaborative Seismic Earth Model: Generation 2

Geological interpretations, earthquake source inversions and ground motion modeling, among other applications, require models that jointly resolve crustal and mantle structure. With the second generation of the Collaborative Seismic Earth Model (CSEM2), we present a global multi-resolution tomographic Earth model that serves this purpose. The model evolves through successive regional- and global-scale refinements. While the first generation aggregated regional models, with this study, we ensure consistency between all individual submodels, resulting in a model that accurately explains wave propagation across scales. Recent regional tomographic models were incorporated, comprising continental-scale inversions for Asia and Africa, as well as regional inversions for the Western US, Central Andes, Iran, and Southeast Asia. Across all regional refinements, over 793,000 source-receiver pairs contributed. Moreover, the long-wavelength Earth model (LOWE) introduces large-scale structures outside of pre-existing local refinements. A full-waveform inversion for global anisotropic P-and S-wave speed structure over a total of 194 iterations with a minimum period of 50 s on a large data set of 1 hr of waveform data from 2,423 earthquakes and over 6 million source-receiver pairs ensures that regional updates in the crust and uppermost mantle translate into updates of deeper, global-scale structure. To test the performance of CSEM2, we evaluate waveform fits between observed and synthetic seismograms at 50 s for an independent data set on the global scale, and on the regional scale for lower periods. We accurately simulate waveforms within and across regional refinements, maintaining the original resolution of the submodels embedded in the global framework.

58 GEOSCIENCES↗

Building the I (Interoperability) of FAIR for performance reproducibility of large-scale composable workflows in RECUP

Abstract-Scientific computing communities increasingly run their experiments using complex data- and compute-intensive workflows that utilize distributed and heterogeneous architectures targeting numerical simulations and machine learning, often executed on the Department of Energy Leadership Computing Facilities (LCFs). We argue that a principled, systematic approach to implementing FAIR principles at scale, including fine-grained metadata extraction and organization, can help with the numerous challenges to performance reproducibility posed by such workflows. We extract workflow patterns, propose a set of tools to manage the entire life cycle of performance metadata, and aggregate them in an HPC-ready framework for reproducibility (RECUP). We describe the challenges in making these tools interoperable, preliminary work, and lessons learned from this experiment.

97 MATHEMATICS AND COMPUTING↗

BrickQA: Bridging the Semantic Gap in Building Operations with Dynamic Graph Exploration

While standardized ontologies like the Brick schema address data heterogeneity in Building Automation Systems (BAS), accessing this semantic data remains a challenge as domain experts often lack the expertise to formulate complex SPARQL queries. To bridge this gap, we present BrickQA, a Large Language Model (LLM)-based framework that translates natural language into executable SPARQL queries through structured query decomposition, dynamic schema exploration, and inline validation. BrickQA utilizes an iterative reasoning agent to actively navigate graph topology through dynamic exploration actions without requiring exhaustive context injection or model fine-tuning. This approach effectively mitigates hallucinations, particularly in large-scale building knowledge graphs. Empirical evaluation on BuildingQA, a standardized benchmark, demonstrates that BrickQA significantly outperforms ReAct baselines, delivering a 0.291–0.355 absolute F1 improvement while achieving 3 × –12.7 × higher token cost-efficiency. Beyond these metrics, the framework maintains structural fidelity across heterogeneous buildings and remains resilient to ambiguous queries without requiring site-specific fine-tuning. Furthermore, a case study on operational analytics validates the framework’s capability to handle temporal and aggregation constraints, effectively transforming abstract semantic models into actionable facility management insights.1

Ko, Yun-Dam↗

Scalability of Real-time Distribution Models

This work will focus on developing the capabilities and validating the models for a sub transmission network with multiple feeders and microgrids. To achieve this scale of Hardware-in-the-loop (HitL) simulation, it is necessary to federate and collaborate. The work aims to design the large-scale feeder models to allow federation with complementary testbeds in the future. The feeder would be designed to be reconfigurable to put the system into a variety of modes. Aggregators models will be included in each distribution network’s federate to take control actions and interact with the management systems. Lastly, the feeder model will support large scale resilience studies involving complex Distributed Energy Resources (DER) controls, microgrid studies and emulation of complex data flows in future grid architectures.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Heterogeneity and scaling land-atmospheric water and energy fluxes in climate systems

The effects of small-scale heterogeneity in land surface characteristics on the large-scale fluxes of water and energy in land-atmosphere system has become a central focus of many of the climatology research experiments. The acquisition of high resolution land surface data through remote sensing and intensive land-climatology field experiments (like HAPEX and FIFE) has provided data to investigate the interactions between microscale land-atmosphere interactions and macroscale models. One essential research question is how to account for the small scale heterogeneities and whether 'effective' parameters can be used in the macroscale models. To address this question of scaling, three modeling experiments were performed and are reviewed in the paper. The first is concerned with the aggregation of parameters and inputs for a terrestrial water and energy balance model. The second experiment analyzed the scaling behavior of hydrologic responses during rain events and between rain events. The third experiment compared the hydrologic responses from distributed models with a lumped model that uses spatially constant inputs and parameters. The results show that the patterns of small scale variations can be represented statistically if the scale is larger than a representative elementary area scale, which appears to be about 2 - 3 times the correlation length of the process. For natural catchments this appears to be about 1 - 2 sq km. The results concerning distributed versus lumped representations are more complicated. For conditions when the processes are nonlinear, then lumping results in biases; otherwise a one-dimensional model based on 'equivalent' parameters provides quite good results. Further research is needed to fully understand these conditions.

Wood, Eric F.↗

The Parallel System for Integrating Impact Models and Sectors (pSIMS)

We present a framework for massively parallel climate impact simulations: the parallel System for Integrating Impact Models and Sectors (pSIMS). This framework comprises a) tools for ingesting and converting large amounts of data to a versatile datatype based on a common geospatial grid; b) tools for translating this datatype into custom formats for site-based models; c) a scalable parallel framework for performing large ensemble simulations, using any one of a number of different impacts models, on clusters, supercomputers, distributed grids, or clouds; d) tools and data standards for reformatting outputs to common datatypes for analysis and visualization; and e) methodologies for aggregating these datatypes to arbitrary spatial scales such as administrative and environmental demarcations. By automating many time-consuming and error-prone aspects of large-scale climate impacts studies, pSIMS accelerates computational research, encourages model intercomparison, and enhances reproducibility of simulation results. We present the pSIMS design and use example assessments to demonstrate its multi-model, multi-scale, and multi-sector versatility.

crop modeling↗

A Composite Analysis of Snowfall Modes from Four Winter Seasons in Marquette, Michigan

Presented are four winter seasons of data from an enhanced precipitation instrument suite based at the National Weather Service (NWS) Office in Marquette (MQT), Michigan (250–500 cm of annual snow accumulation). In 2014 the site was augmented with a Micro Rain Radar (MRR) and a Precipitation Imaging Package (PIP). MRR observations are utilized to partition large-scale synoptically driven (deep)and surface-forced (shallow) snow events. Coincident PIP and NWS MQT meteorological surface observations illustrate different characteristics with respect to snow event category. Shallow snow events are often extremely shallow, with MRR-indicated precipitation heights of less than 1500 m above ground level. Large vertical reflectivity gradients indicate efficient particle growth, and increased boundary layer turbulence inferred from observations of spectral width implies increased aggregation in shallow snow events. Shallow snow events occur 2 times as often as deep events; however, both categories contribute approximately equally to estimated annual accumulation. PIP measurements reveal distinct regime-dependent snow microphysical differences, with shallow snow events having broader particle size distributions and comparatively fewer small particles and deep snow events having narrower particle size distributions and comparatively more small particles. In addition, coincident surface meteorological measurements indicate that most shallow snow events are associated with surface winds originating from the northwest (over Lake Superior), cold temperatures, and relatively high surface pressures, which are characteristics that are consistent with cold-air outbreaks. Deep snow events have meteorologically distinct conditions that are accordant with midlatitude cyclones and frontal structures, with mostly southwest surface winds, warmer temperatures approaching freezing, and lower surface pressures.

Claire Pettersen↗

Improved Estimates of Pentad Precipitation through the Merging of Independent Precipitation Datasets

Three independent, quasi-global, gridded datasets of precipitation (a rain gauge-based dataset, the satellite-only component of the NASA Integrated Multi-satellitE Retrievals for Global Precipitation Measurement mission [IMERG] Final Run precipitation product, and precipitation estimates derived from NASA Soil Moisture Active Passive [SMAP] soil moisture retrievals), are objectively combined into a single pentad precipitation dataset at 36-km resolution using a unique approach based on extended triple collocation. The quality of each of the four datasets is then evaluated against independent observations. When a global land surface model at 36-km resolution is integrated four times, once utilizing the merged precipitation forcing and once with each of the three contributing datasets, the near-surface soil moisture variations produced with the merged forcing validate best against independent satellite-based soil moisture fields. In addition, the merged dataset is found to be more consistent, relative to each contributor, with estimates of air temperature variations across the globe. The merged dataset thus appears to draw successfully on the complementary strengths of each contributor: the particularly high quality of the rain gauge-based dataset in areas of high gauge density, the more uniform accuracy across the globe of the IMERG data, and the moderate accuracy, particularly in semi-arid regions, of the soil moisture retrieval-based data. Plain Language Summary Obtaining measurements of precipitation across the globe can be challenging. Rain gauges in some ways provide the most accurate measurements, but gauges are absent in many parts of the world, and even where they exist, they only measure precipitation at the gauge itself and therefore may not provide an accurate large-scale average. Satellite-based estimates of precipitation largely overcome these problems, but such data have their own issues, notably a “snapshot” (rather than a time-average) character of the measurements and difficulty associated with interpreting the measured radiances in the presence of complex land surfaces. In the present paper, we use a novel approach to generate a “merged” dataset, one that optimally combines the gauge precipitation information and the satellite-based precipitation information with a third set of estimates derived from soil moisture retrievals. The merged precipitation dataset and each of the three contributors (aggregated here to 5-day averages at a spatial resolution of about 36-km) are then evaluated for consistency with independent geophysical fields. The merged dataset is found to perform best, a clear indication that it takes proper advantage of the complementary strengths of each contributor and, accordingly, that the presented approach for merging the different contributors is indeed viable.

Precipitation↗