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NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

In-flight icing is an important safety issue and is a factor that affects aircraft design and performance. Newer regulations are driving a need for improvements in airframe and engine icing simulation capability. Experimental data is required for the development of icing physics models and simulation validation. This paper presents the analysis of the ice crystal icing data subset from tests conducted in 2022 at the NASA Icing Research Tunnel that studied both supercooled liquid and ice-crystal icing. The test article that was utilized replicated 3D geometrical features of an inter-compressor duct and strut region of a turbofan engine. The surfaces of the Simulated Inter-compressor Duct Research Model (SIDRM) can be heated to simulate the warm surfaces of the turbofan inter-compressor duct. The test article is instrumented with pressure taps, heaters, heat flux gauges, and thermocouples, while a 3D laser scanner, cameras, and a weighing scale to measure ice mass were utilized to characterize the icing behavior. The aim of these tests was to generate ice accretions on the SIDRM test article under well-characterized icing conditions. To that end, ice crystal cloud characterization tests were conducted that provided cloud property values at the test section. The ice crystal accretion tests investigated how different test condition parameters impacted ice accretion size, location, and characteristics (such as physical attributes). A key finding was that a sufficiently high surface heat flux at the leading edge can provide a continuous supply of liquid melt to critical accretion zones downstream, resulting in elevated ice mass accretions. Another key finding was that warmer heater settings in critical accretion zones can suppress ice accretion. These findings are consistent with icing behavior observed in full-scale engine icing tests conducted previously at the NASA Glenn Research Center. Test runs investigating the contribution of liquid melt generated at the leading edge found that the melt can be transported downstream to critical accretion regions in two forms, via runback and splash. The form of melt supplied downstream affected accretion behavior and features. Sharkteeth-shaped ice accretions were generated at certain test conditions, a physical attribute that has been observed in full-scale engine icing tests. The ice accretion data will be used to develop and validate 3D computational engine icing tools, such as GlennICE, that predictively assesses the onset and growth of ice. One of the goals of the sponsoring NASA project is to develop simulation models and tools that can assist in the design and certification of engines for flight in icing conditions in a cost‑effective way.

ice crystal icing↗

NASA NTRSDate not supplied

Icing Physics Studies Using the 3D SIDRM Test Article: Ice Crystal Icing Analysis

ice crystal icing↗

DOE OSTI2017

GRACC: New generation of the OSG accounting

Throughout the last decade the Open Science Grid (OSG) has been fielding requests from user communities, resource owners, and funding agencies to provide information about utilization of OSG resources. Requested data include traditional accounting - core-hours utilized - as well as users certicate Distinguished Name, their affiliations, and eld of science. The OSG accounting service, Gratia, developed in 2006, is able to provide this information and much more. However, with the rapid expansion and transformation of the OSG resources and access to them, we are faced with several challenges in adapting and maintaining the current accounting service. The newest changes include, but are not limited to, acceptance of users from numerous university campuses, whose jobs are flocking to OSG resources, expansion into new types of resources (public and private clouds, allocation-based HPC resources, and GPU farms), migration to pilot-based systems, and migration to multicore environments. In order to have a scalable, sustainable and expandable accounting service for the next few years, we are embarking on the development of the next-generation OSG accounting service, GRACC, that will be based on open-source technology and will be compatible with the existing system. It will consist of swappable, independent components, such as Logstash, Elasticsearch, Grafana, and RabbitMQ, that communicate through a data exchange. GRACC will continue to interface EGI and XSEDE accounting services and provide information in accordance with existing agreements. Lastly, we will present the current architecture and working prototype.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2016

A Quantum Annealing Computer Team Addresses Climate Change Predictability

The near confluence of the successful launch of the Orbiting Carbon Observatory2 on July 2, 2014 and the acceptance on August 20, 2015 by Google, NASA Ames Research Center and USRA of a 1152 qubit D-Wave 2X Quantum Annealing Computer (QAC), offered an exceptional opportunity to explore the potential of this technology to address the scientific prediction of global annual carbon uptake by land surface processes. At UMBC,we have collected and processed 20 months of global Level 2 light CO2 data as well as fluorescence data. In addition we have collected ARM data at 2sites in the US and Ameriflux data at more than 20 stations. J. Dorband has developed and implemented a multi-hidden layer Boltzmann Machine (BM) algorithm on the QAC. Employing the BM, we are calculating CO2 fluxes by training collocated OCO-2 level 2 CO2 data with ARM ground station tower data to infer to infer measured CO2 flux data. We generate CO2 fluxes with a regression analysis using these BM derived weights on the level 2 CO2 data for three Ameriflux sites distinct from the ARM stations. P. Gentine has negotiated for the access of K34 Ameriflux data in the Amazon and is applying a neural net to infer the CO2 fluxes. N. Talik validated the accuracy of the BM performance on the QAC against a restricted BM implementation on the IBM Softlayer Cloud with the Nvidia co-processors utilizing the same data sets. G. Nearing and K. Harrison have extended the GSFC LIS model with the NCAR Noah photosynthetic parameterization and have run a 10 year global prediction of the net ecosystem exchange. C. Pellisier is preparing a BM implementation of the Kalman filter data assimilation of CO2 fluxes. At UMBC, R. Prouty is conducting OSSE experiments with the LISNoah model on the IBM iDataPlex to simulate the impact of CO2 fluxes to improve the prediction of global annual carbon uptake. J. LeMoigne and D. Simpson have developed a neural net image registration system that will be used for MODIS ENVI and will be converted to a BM algorithm implementation on the QAC. The first integer adder has been implemented on the D-Wave 2X by A. Shehab that will perform HAAR wavelets for image compression of MODIS scenes. Finally, based on the next generations of QACs, we are preparing a 5-year performance road map on the scalability of the current QAC algorithms.

Science Data Processing↗

DOE OSTI2025

Cognitive IoT and Edge Computing for Intrusion Detection with Federated TinyML

Internet of Things (IoT) and Edge Computing (EC) are rapidly becoming an integral part of the modern society. By 2030, there is estimated to be over 40 billion active and connected IoT devices [1]. This rapid progress also comes with a significant implication on cybersecurity. Back-end infrastructure and systems have a much broader attack than they did previously due to vulnerable IoT/EC devices being connected to wireless networks. This expanding attack surface is a growing concern because IoT/EC are increasingly being used in critical systems such as power grids, health care, and smart homes. To effectively address a problem of this scale, cognitive cyber methods—which can autonomously detect and react to cyber attacks as they develop—are needed. To address this, we bring Artificial Intelligence (AI) and Machine Learning (ML) to IoT/EC devices, using tinyML to monitor voluminous IoT data against cyber threats, and using Federated Learning (FL) to share local detection knowledge across the system while preserving privacy. We propose a novel three-layer architecture: (1) an IoT layer for tinyML-based inference, (2) an edge layer for ML model training, and (3) a cloud layer for FL operations. Using the publicly available 11-class N-BaIoT dataset [2], we demonstrate that this architecture mitigates resource constraints at the IoT layer while improving detection accuracy over standard two-layer designs. An outlier-resistant scaler, feature reduction, and quantization enable the tinyML model to maintain detection accuracy with a reduced model size. Additionally, federated learning that only utilizes the intersection (across heterogenous devices) of the reduced feature set achieves superior detection accuracy compared to locally trained models.

Li, Mingyan [ORNL] (ORCID:0009000569532640)↗

DOE OSTI2022

Root system architecture and environmental flux analysis in mature crops using 3D root mesocosms

Current methods of root sampling typically only obtain small or incomplete sections of root systems and do not capture their true complexity. To facilitate the visualization and analysis of full-sized plant root systems in 3-dimensions, we developed customized mesocosm growth containers. While highly scalable, the design presented here uses an internal volume of 45 ft 3 (1.27 m 3 ), suitable for large crop and bioenergy grass root systems to grow largely unconstrained. Furthermore, they allow for the excavation and preservation of 3-dimensional root system architecture (RSA), and facilitate the collection of time-resolved subterranean environmental data. Sensor arrays monitoring matric potential, temperature and CO 2 levels are buried in a grid formation at various depths to assess environmental fluxes at regular intervals. Methods of 3D data visualization of fluxes were developed to allow for comparison with root system architectural traits. Following harvest, the recovered root system can be digitally reconstructed in 3D through photogrammetry, which is an inexpensive method requiring only an appropriate studio space and a digital camera. We developed a pipeline to extract features from the 3D point clouds, or from derived skeletons that include point cloud voxel number as a proxy for biomass, total root system length, volume, depth, convex hull volume and solidity as a function of depth. Ground-truthing these features with biomass measurements from manually dissected root systems showed a high correlation. We evaluated switchgrass, maize, and sorghum root systems to highlight the capability for species wide comparisons. We focused on two switchgrass ecotypes, upland (VS16) and lowland (WBC3), in identical environments to demonstrate widely different root system architectures that may be indicative of core differences in their rhizoeconomic foraging strategies. Finally, we imposed a strong physiological water stress and manipulated the growth medium to demonstrate whole root system plasticity in response to environmental stimuli. Hence, these new “3D Root Mesocosms” and accompanying computational analysis provides a new paradigm for study of mature crop systems and the environmental fluxes that shape them.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Ka-Band ARM Zenith Radar Corrections (KAZRCOR, KAZRCFRCOR) Value-Added Products

The KAZRCOR Value -added Product (VAP) performs several corrections to the ingested KAZR moments and also creates a significant detection mask for each radar mode. The VAP computes gaseous attenuation as a function of time and radial distance from the radar antenna, based on ambient meteorological observations, and corrects observed reflectivities for that effect. KAZRCOR also dealiases mean Doppler velocities to correct velocities whose magnitudes exceed the radar’s Nyquist velocity. Input KAZR data fields are passed through into the KAZRCOR output files, in their native time and range coordinates. Complementary corrected reflectivity and velocity fields are provided, along with a mask of significant detections and a number of data quality flags. This report covers the KAZRCOR VAP as applied to the original KAZR radars and the upgraded KAZR2 radars. Currently there are two separate code bases for the different radar versions, but once KAZR and KAZR2 data formats are harmonized, only a single code base will be required.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2003

Mathematical Inversion of Lightning Data: Techniques and Applications

A survey of some interesting mathematical inversion studies dealing with radio, optical, and electrostatic measurements of lightning are presented. A discussion of why NASA is interested in lightning, what specific physical properties of lightning are retrieved, and what mathematical techniques are used to perform the retrievals are discussed. In particular, a relatively new multi-station VHF time-of-arrival (TOA) antenna network is now on-line in Northern Alabama and will be discussed. The network, called the Lightning Mapping Array (LMA), employs GPS timing and detects VHF radiation from discrete segments (effectively point emitters) that comprise the channel of lightning strokes within cloud and ground flashes. The LMA supports on-going ground-validation activities of the low Earth orbiting Lightning Imaging Sensor (LIS) satellite developed at NASA Marshall Space Flight Center (MSFC) in Huntsville, Alabama. The LMA also provides detailed studies of the distribution and evolution of thunderstorms and lightning in the Tennessee Valley, and offers interesting comparisons with other meteorological/geophysical datasets. In order to take full advantage of these benefits, it is essential that the LMA channel mapping accuracy (in both space and time) be fully characterized and optimized. A new channel mapping retrieval algorithm is introduced for this purpose. To characterize the spatial distribution of retrieval errors, the algorithm has been applied to analyze literally tens of millions of computer-simulated lightning VHF point sources that have been placed at various ranges, azimuths, and altitudes relative to the LMA network. Statistical results are conveniently summarized in high-resolution, color-coded, error maps.

Koshak, William↗

DOE OSTI2023

Comparing Mapper Graphs of Artificial Neuron Activations

The mapper graph is a popular tool from topological data analysis that provides a graphical summary of point cloud data. It has been used to study data from cancer research, sports analytics, neurosciences, and machine learning. In particular, mapper graphs have been used recently to visualize the topology of high-dimensional artificial neural activations from convolutional neural networks and large language models. However, a key question that arises from using mapper graphs across applications is how to compare mapper graphs to study their structural differences. In this paper, we introduce a distance between mapper graphs using tools from optimal transport. We demonstrate the utility of such a distance by studying the topological changes of neural activations across convolutional layers in deep learning, as well as by capturing the loss of structural information for multiscale mapper.

mapper graphs, computational topology, machine lea↗

NASA NTRS2016

Response Versus Scan-Angle Corrections for MODIS Reflective Solar Bands Using Deep Convective Clouds

The absolute radiometric calibration of the reflective solar bands (RSBs) of Aqua- and Terra-MODIS is performed using on-board calibrators. A solar diffuser (SD) panel along with a solar diffuser stability monitor (SDSM) system, which tracks the performance of the SD over time, provides the absolute reference for calibrating the MODIS sensors. MODIS also views the moon and deep space through its space view (SV) port for lunar-based calibration and computing the zero input radiance, respectively. The MODIS instrument views the Earths surface through a two-sided scan mirror, whose reflectance is a function of angle of incidence (AOI) and is described by response versus scan-angle (RVS). The RVS for both MODIS instruments was characterized prior to launch. MODIS also views the SD and the moon at two different assigned RVS positions. There is sufficient evidence that the RVS is changing on orbit over time and as a function of wavelength. The SD and lunar observation scans can only track the RVS variation at two RVS positions. Consequently, the MODIS Characterization Support Team (MCST) developed enhanced approaches that supplement the onboard calibrator measurements with responses from pseudo-invariant desert sites. This approach has been implemented in Level 1B (L1B) Collection 6 (C6) for selected short-wavelength bands. This paper presents an alternative approach of characterizing the mirror RVS to derive the time-dependent RVS correction factors for MODIS RSBs using tropical deep convective cloud (DCC) targets. An initial assessment of the DCC response from Aqua-MODIS band 1 C6 data indicates evidence of RVS artifacts, which are not uniform across the scans and are more prevalent in the left side Earth-view scans.

Bhatt, Rajendra↗

DOE OSTI2023

A combined experimental and computational study on the reaction dynamics of the 1-propynyl (CH 3 CC, X 2 A 1 ) – propylene (CH 3 CHCH 2 , X 1 A') system: formation of 1,3-dimethylvinylacetylene (CH 3 CCCHCHCH 3 , X 1 A') under single collision conditions

The reaction of the 1-propynyl radical (CH 3 CC; X 2 A 1 ) with propylene (CH 3 CHCH 2 ; X 1 A') was studied in a crossed molecular beam machine at a collision energy of 37 ± 1 kJ mol –1 . Experimental data combined with high-level electronic structure (CCSD(T)-F12/cc-pVTZ-F12//ωB97X-D/6-311G(d,p)) and RRKM calculations reveal the reaction mechanism. Here, the overall barrierless and exoergic reaction involves indirect reaction dynamics and commences preferentially with addition of 1-propynyl with its radical centre to the carbon–carbon double bond at the terminal carbon atom of propylene. This work focuses on molecular mass growth process (hydrogen loss channels) although theory suggests methyl loss as a prevalent channel. In these processes, the C6H9 collision complexes either emit atomic hydrogen or undergo isomerisation followed by atomic hydrogen loss to preferentially yield the cis/trans isomers of 1,3-dimethylvinylacetylene (2-hexen-4-yne) as the primary product. Analysis of reaction dynamics of 1-propynyl and ethynyl radicals with propylene along with their fractional abundance in deep space suggests formation of methyl- and dimethyl derivatives of vinylacetylene in cold molecular clouds. Once formed they may engage in fundamental molecular mass growth processes via the barrierless Hydrogen Abstraction Vinylacetylene Addition mechanism that leads to the formation of methyl- and dimethylnaphthalenes thus providing a versatile route to methyl-substituted PAHs in interstellar medium.

1-propynyl↗

NASA NTRS2004

Spatially Complete Global Surface Albedos Derived from Terra/MODIS Data

Spectral land surface albedo is an important parameter for describing the radiative properties of the Earth. Accordingly it reflects the consequences of natural and human interactions, such as anthropogenic, meteorological, and phenological effects, on global and local climatological trends. Consequently, albedos are integral parts in a variety of research areas, such as general circulation models (GCMs), energy balance studies, modeling of land use and land use change, and biophysical, oceanographic, and meteorological studies. Recent production of land surface anisotropy, diffuse bihemispherical (white-sky) albedo and direct beam directional hemispherical (black-sky) albedo from observations acquired by the MODIS instruments aboard NASA s Terra and Aqua satellite platforms have provided researchers with unprecedented spatial, spectral, and temporal information on the land surface's radiative characteristics. Cloud cover, which cutails retrievals, and the presence of ephemeral and seasonal snow limit the snow-free data to approximately half the global land surfaces on an annual equal-angle basis. This precludes the MOD43B3 albedo products from being used in some remote sensing and ground-based applications, climate models, and global change research projects. An ecosystem-dependent temporal interpolation technique is described that has been developed to fill missing or seasonally snow-covered data in the official MOD43B3 albedo product. The method imposes pixel-level and local regional ecosystem-dependent phenological behavior onto retrieved pixel temporal data in such a way as to maintain pixel-level spatial and spectral detail and integrity. The phenological curves are derived from statistics based on the MODIS MOD12Q1 IGBP land cover classification product geolocated with the MOD43B3 data. The resulting snow-free value-added products provide the scientific community with spatially and temporally complete global white- and black-sky surface albedo maps and statistics. These products are stored on 1'(approximately 10 km) and coarser resolution equal-angle grids, and are computed for the first seven MODIS wavelengths, ranging from 0.47 through 2.1 microns, and for three broadband wavelengths, 0.3-0.7,0.3-5.0 and 0.7-5.0 microns.

King, Michael D.↗

NASA NTRS2016

Response Versus Scan-Angle Corrections for MODIS Reflective Solar Bands Using Deep Convective Clouds

The absolute radiometric calibration of the reflective solar bands (RSBs) of Aqua- and Terra-MODIS is performed using on-board calibrators. A solar diffuser (SD) panel along with a solar diffuser stability monitor (SDSM) system, which tracks the performance of the SD over time, provides the absolute reference for calibrating the MODIS sensors. MODIS also views the moon and deep space through its space view (SV) port for lunar-based calibration and computing the zero input radiance, respectively. The MODIS instrument views the Earth's surface through a two-sided scan mirror, whose reflectance is a function of angle of incidence (AOI) and is described by response versus scan-angle (RVS). The RVS for both MODIS instruments was characterized prior to launch. MODIS also views the SD and the moon at two different assigned RVS positions. There is sufficient evidence that the RVS is changing on orbit over time and as a function of wavelength. The SD and lunar observation scans can only track the RVS variation at two RVS positions. Consequently, the MODIS Characterization Support Team (MCST) developed enhanced approaches that supplement the onboard calibrator measurements with responses from pseudo-invariant desert sites. This approach has been implemented in Level 1B (L1B) Collection 6 (C6) for selected short-wavelength bands. This paper presents an alternative approach of characterizing the mirror RVS to derive the time-dependent RVS correction factors for MODIS RSBs using tropical deep convective cloud (DCC) targets. An initial assessment of the DCC response from Aqua-MODIS band 1 C6 data indicates evidence of RVS artifacts, which are not uniform across the scans and are more prevalent in the left side Earth-view scans.

Bhatt, Rajendra↗

NASA NTRS2010

Simulations of the Aerosol Index and the Absorption Aerosol Optical Depth and Comparisons with OMI Retrievals During ARCTAS-2008 Campaign

We have computed the Aerosol Index (AI) at 354 nm, useful for observing the presence of absorbing aerosols in the atmosphere, from aerosol simulations conducted with the Goddard Chemistry, Aerosol, Radiation, and Transport (GOCART) module running online the GEOS-5 Atmospheric GCM. The model simulates five aerosol types: dust, sea salt, black carbon, organic carbon and sulfate aerosol and can be run in replay or data assimilation modes. In the assimilation mode, information's provided by the space-based MODIS and MISR sensors constrains the model aerosol state. Aerosol optical properties are then derived from the simulated mass concentration and the Al is determined at the OMI footprint using the radiative transfer code VLIDORT. In parallel, model derived Absorption Aerosol Optical Depth (AAOD) is compared with OMI retrievals. We have focused our study during ARCTAS (June - July 2008), a period with a good sampling of dust and biomass burning events. Our ultimate goal is to use OMI measurements as independent validation for our MODIS/MISR assimilation. Towards this goal we document the limitation of OMI aerosol absorption measurements on a global scale, in particular sensitivity to aerosol vertical profile and cloud contamination effects, deriving the appropriate averaging kernels. More specifically, model simulated (full) column integrated AAOD is compared with model derived Al, this way identifying those regions and conditions under which OMI cannot detect absorbing aerosols. Making use of ATrain cloud measurements from MODIS, C1oudSat and CALIPSO we also investigate the global impact on clouds on OMI derived Al, and the extent to which GEOS-5 clouds can offer a first order representation of these effects.

Source record↗

NASA NTRS1992

Validation of Special Sensor Microwave Imager Monthly-Mean Wind Speed From July 1987 to December 1989

Since July 1987 the Remote Sensing Systems, Santa Rosa, California, routinely computes from first principles the wind speed from Special Sensor Microwave Imager (SSM/I) measurements of the intensity of microwave radiation emitted at the ocean surface. The accuracy of monthly-mean SSM/I wind speeds is determined by comparisons with moored-buoy wind measurements, which were recorded by four different institutions at 44 sites in the Atlantic and Pacific Oceans during July 1987 to December 1989. All results for 1988 were virtually identical with 1989. The range of monthly mean moored-buoy wind speeds was 2-10 m s^(-1). During 1987, the equatorial matchups were not equivalent with 1998 and 1989, and the cause remains unknown. The root-mean-square (rms) difference of 697 monthly-mean matchups of the composite 1988 and 1989 data set was 1.2 m s^(-1). The rms differences were smaller in the equatorial zone and higher in middle latitudes, in accord with the monthly standard deviation. At middle latitudes the time series of rms differences displayed an annual cycle. In the equatorial zone the agreement between SSM/I and in situ data was better in regions with a lesser amount of clouds, and vice versa. For SSM/I monthly standard deviations of 1-2, 2-3, and 3-4 m s^(-1), the average absolute values of the monthly-mean difference between SSM/I and moored-buoy wind speeds were 0.6, 0.9, and 1.4 m s^(-1), respectively.

Halpern, D.↗

DOE OSTI2020

A2Cloud‐RF : A random forest based statistical framework to guide resource selection for high‐performance scientific computing on the cloud

Summary This article proposes a random‐forest based A2Cloud framework to match scientific applications with Cloud providers and their instances for high performance. The framework leverages four engines for this task: PERF engine, Cloud trace engine, A2Cloud‐ext engine, and the random forest classifier (RFC) engine. The PERF engine profiles the application to obtain performance characteristics, including the number of single‐precision (SP) floating‐point operations (FLOPs), double‐precision (DP) FLOPs, x87 operations, memory accesses, and disk accesses. The Cloud trace engine obtains the corresponding performance characteristics of the selected Cloud instances including: SP floating point operations per second (FLOPS), DP FLOPS, x87 operations per second, memory bandwidth, and disk bandwidth. The A2Cloud‐ext engine uses the application and Cloud instance characteristics to generate objective scores that represent the application‐to‐Cloud match. The RFC engine uses these objective scores to generate two types of random forests to assist users with rapid analysis: application‐specific random forests (ARF) and application‐class based random forests. The ARF consider only the input application's characteristics to generate a random forest and provide numerical ratings to the selected Cloud instances. To generate the application‐class based random forests, the RFC engine downloads the application profiles and scores of previously tested applications that perform similar to the input application. Using these data, the RFC engine creates a random forest for instance recommendation. We exhaustively test this framework using eight real‐world applications across 12 instances from different Cloud providers. Our tests show significant statistical agreement between the instance ratings given by the framework and the ratings obtained via actual Cloud executions.

Samuel, David↗

DOE OSTI2023

Pillars of Cloud-Based Earth Observation Science Education

Earth observation (EO) is undergoing a paradigm shift with the development of cloud-based analytical platforms supporting EO data collection and access, parallel processing, easier communication of results, and expanded accessibility. As the global community of users and the diversity of applications grow, there is a clear need for expanded educational capacity to leverage these developments and increase the impact of EO research and teaching. Drawing upon extensive conversations between educators, practitioners, and researchers, we propose three pillars that must be prioritized to prepare students, researchers, and professionals to take full advantage of the cloud-based EO paradigm and guide future growth.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Models, data, and scripts associated with “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning”

This data package is associated with the publication “Prediction of Distributed River Sediment Respiration Rates using Community-Generated Data and Machine Learning’’ submitted to the Journal of Geophysical Research: Machine Learning and Computation (Scheibe et al. 2024). River sediment respiration observations are expensive and labor intensive to obtain and there is no physical model for predicting this quantity. The Worldwide Hydrobiogeochemisty Observation Network for Dynamic River Systems (WHONDRS) observational data set (Goldman et al.; 2020) is used to train machine learning (ML) models to predict respiration rates at unsampled sites. This repository archives training data, ML models, predictions, and model evaluation results for the purposes of reproducibility of the results in the associated manuscript and community reuse of the ML models trained in this project. One of the key challenges in this work was to find an optimum configuration for machine learning models to work with this feature-rich (i.e. 100+ possible input variables) data set. Here, we used a two-tiered approach to managing the analysis of this complex data set: 1) a stacked ensemble of ML models that can automatically optimize hyperparameters to accelerate the process of model selection and tuning and 2) feature permutation importance to iteratively select the most important features (i.e. inputs) to the ML models. The major elements of this ML workflow are modular, portable, open, and cloud-based, thus making this implementation a potential template for other applications. This data package is associated with the GitHub repository found at Please see the file level metadata (flmd; “sl-archive-whondrs_flmd.csv”) for a list of all files contained in this data package and descriptions for each. Please see the data dictionary (dd; “sl-archive-whondrs_dd.csv”) for a list of all column headers contained within comma separated value (csv) files in this data package and descriptions for each. The GitHub repository is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning models trained on the data in “input_data”; (3) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; (4) “examples” contains the visualization of the results in this repository including plotting scripts for the manuscript (e.g., model evaluation, FPI results) and scripts for running predictions with the ML models (i.e., reusing the trained ML models); (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. Furthermore, depending on the number of features used to train the ML models, the preprocessing and postprocessing scripts, and their intermediate results, can also be different branch-to-branch. The “main-*” branches are meant to be starting points (i.e. trunks) for each model branch (i.e. sprouts). Please see the Branch Navigation section in the top-level README.md in the GitHub repository for more details. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please the top-level README.md in the GitHub repository for more details on the automation.

13C↗