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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Automatic Molecular Design using Evolutionary Techniques

Molecular nanotechnology is the precise, three-dimensional control of materials and devices at the atomic scale. An important part of nanotechnology is the design of molecules for specific purposes. This paper describes early results using genetic software techniques to automatically design molecules under the control of a fitness function. The fitness function must be capable of determining which of two arbitrary molecules is better for a specific task. The software begins by generating a population of random molecules. The population is then evolved towards greater fitness by randomly combining parts of the better individuals to create new molecules. These new molecules then replace some of the worst molecules in the population. The unique aspect of our approach is that we apply genetic crossover to molecules represented by graphs, i.e., sets of atoms and the bonds that connect them. We present evidence suggesting that crossover alone, operating on graphs, can evolve any possible molecule given an appropriate fitness function and a population containing both rings and chains. Prior work evolved strings or trees that were subsequently processed to generate molecular graphs. In principle, genetic graph software should be able to evolve other graph representable systems such as circuits, transportation networks, metabolic pathways, computer networks, etc.

Globus, Al↗
DOE OSTI2022

Towards mapping biodiversity from above: Can fusing lidar and hyperspectral remote sensing predict taxonomic, functional, and phylogenetic tree diversity in temperate forests?

Abstract Aim Rapid global change is impacting the diversity of tree species and essential ecosystem functions and services of forests. It is therefore critical to understand and predict how the diversity of tree species is spatially distributed within and among forest biomes. Satellite remote sensing platforms have been used for decades to map forest structure and function but are limited in their capacity to monitor change by their relatively coarse spatial resolution and the complexity of scales at which different dimensions of biodiversity are observed in the field. Recently, airborne remote sensing platforms making use of passive high spectral resolution (i.e., hyperspectral) and active lidar data have been operationalized, providing an opportunity to disentangle how biodiversity patterns vary across space and time from field observations to larger scales. Most studies to date have focused on single sites and/or one sensor type; here we ask how multiple sensor types from the National Ecological Observatory Network’s Airborne Observation Platform (NEON AOP) perform across multiple sites in a single biome at the NEON field plot scale (i.e., 40 m × 40 m). Location Eastern USA. Time period 2017–2018. Taxa studied Trees. Methods With a fusion of hyperspectral and lidar data from the NEON AOP, we assess the ability of high resolution remotely sensed metrics to measure biodiversity variation across eastern US temperate forests. We examine how taxonomic, functional, and phylogenetic measures of alpha diversity vary spatially and assess to what degree remotely sensed metrics correlate with in situ biodiversity metrics. Results Models using estimates of forest function, canopy structure, and topographic diversity performed better than models containing each category alone. Our results show that canopy structural diversity, and not just spectral reflectance, is critical to predicting biodiversity. Main conclusions We found that an approach that jointly leverages spectral properties related to leaf and canopy functional traits and forest health, lidar derived estimates of forest structure, fine‐resolution topographic diversity, and careful consideration of biogeographical differences within and among biomes is needed to accurately map biodiversity variation from above.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1979

Molecular phylogenetic trees - On the validity of the Goodman-Moore augmentation algorithm

A response is made to the reply of Nei and Tateno (1979) to the letter of Holmquist (1978) supporting the validity of the augmentation algorithm of Moore (1977) in reconstructions of nucleotide substitutions by means of the maximum parsimony principle. It is argued that the overestimation of the augmented numbers of nucleotide substitutions (augmented distances) found by Tateno and Nei (1978) is due to an unrepresentative data sample and that it is only necessary that evolution be stochastically uniform in different regions of the phylogenetic network for the augmentation method to be useful. The importance of the average value of the true distance over all links is explained, and the relative variances of the true and augmented distances are calculated to be almost identical. The effects of topological changes in the phylogenetic tree on the augmented distance and the question of the correctness of ancestral sequences inferred by the method of parsimony are also clarified.

Holmquist, R.↗
DOE OSTI2026

CHESS 2025: Leaf Area Index (LAI) for meadow, shrub, tree, and understory vegetation

This dataset contains Leaf Area Index (LAI) measurements made as part of the Colorado Headwaters Ecological Spectroscopy Study (CHESS) during June and July of 2025. Data were collected in the Upper Gunnison Basin, Colorado, across three study domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). Field observations of LAI were collected within 72 hours of airborne data collection by the National Ecological Observatory Network’s Aerial Observation Platform (NEON AOP). The NEON AOP collected waveform LiDAR (Light Detection and Ranging) and imaging spectrometer data in 426 spectral bands from the visible to shortwave infrared. LAI measurements were collected using the LICOR LAI-2200C Plant Canopy Analyzer following protocols outlined in the instrument manual (LI-COR 2019). Sampling targeted four distinct vegetation types: meadows, shrubs, trees, and aspen forest understory. We have archived data separately by site type because different field methods were used for each. At meadow sites, measurements were made at the four corners of 1m x 1m plots, with the instrument moving inward toward the center of the plot. At shrub sites, we measured the canopies of individual shrubs. At tree sites, we made measurements within a 10m x 10m subplot centered around a focal tree, with 30 observations taken on a regular grid. At aspen understory sites, we measured overstory trees following the tree protocol and understory herbaceous vegetation following the meadow protocol. All measurements included above-canopy (A) and below-canopy (B) readings, with specific protocols for scattering correction measurements in direct-sun conditions. Data were processed using the R package `rlai` (Worsham 2025). This package includes functions to calculate LAI, gap fraction, apparent clumping factor (Ω), scattering correction, and other canopy metrics. Package contents: Full file descriptions appear in ‘flmd.csv’. Files named according to the convention ‘lai_*_summary_data_cleaned.csv’ contain summary values of LAI, apparent clumping factor (Ωapp), and scattering correction factors for each site. These are the analysis-ready products that most data users will work with. Files named ‘lai_*_metadata_cleaned.csv’ contain additional site-level observations made during field collection. We have also archived intermediate and supplementary data for users who wish to check our processing approach or apply alternative methods. ‘raw_lai_2200C.zip’ contains the raw files as read from the LI-COR instrument, with no processing applied, in TXT format. The zip archive contains subdirectories by site type, which are further subdivided by sampling area. Filenames correspond to the sampling site number. ‘intermediate_results.zip’ contains detailed output from the processing routines, in JSON format. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘scattering_correction_logs.zip’ contains logfiles from the implementation of Kobayashi et al.'s (2013) scattering correction algorithm. The logfiles report values of several parameters at each iteration of the algorithm, as the model converges toward a stable solution. They are intended for users who want to verify scattering correction performance. The zip archive contains subdirectories by site type; filenames correspond to the sampling site number. ‘spot_checks.csv’ reports LAI and other values for a small number of files processed with LI-COR FV2200 software (LI-COR 2013) using the same control parameters as in our R-based approach. Additional metadata are provided in a data dictionary describing column names and definitions (dd.csv), and in a file-level metadata file (flmd.csv). All zip files can be expanded with common archive utilities. TXT, CSV, and JSON files can be ingested into R or Python computing environments or read in common text editor utilities. Geospatial information: Geospatial data for mapping measurement site locations are in the files CHESS_polygons_lai_UTM.geojson, CHESS_polygons_shrub_UTM.geojson, and CHESS_polygons_meadow_UTM.geojson in the companion geospatial package for the 2025 CHESS campaign, ‘CHESS 2025: Location data for field observations and sampling’ (Henderson et al., 2026). CHESS Project Description: The Colorado Headwaters Ecological Spectroscopy Study (CHESS) comprised a multi-week airborne remote sensing and field observation campaign in the Upper Gunnison Basin, Colorado, conducted in June and July of 2025. Airborne remote sensing was conducted by the National Ecological Observatory Network Airborne Observation Platform (NEON AOP), concurrent with a field campaign run by the Rocky Mountain Biological Laboratory (RMBL), the Lawrence Berkeley National Laboratory (LBNL) and SLAC National Accelerator Laboratory Watershed Function Science Focus Area (SFA), and NASA-JPL (Jet Propulsion Laboratory) Earth Surface Mineral Dust Source Investigation (EMIT) program. Between June 10 and July 18, 2025, the NEON AOP flight team collected high-resolution aerial imaging spectroscopy and Light Detection and Ranging (LiDAR) data over three domains: the Upper East River (CRBU), Almont Triangle (ALMO), and the Upper Taylor Basin (UPTA). In coordination with the flights, a field campaign acquired ground-truth observations, including observations of vegetation composition, foliar traits, forest demography, and subsurface properties in 18 core sampling areas within the domains. Additional surface water observations were taken at over 380 point locations. All CHESS campaign datasets can be found within the CHESS ESS-DIVE data portal: https://data.ess-dive.lbl.gov/portals/chess. Funding Acknowledgement: Field and remote-sensing data acquisition was performed under a grant from the National Aeronautics and Space Administration (80NSSC24K1005). This work was also supported by the Watershed Function Science Focus Area at Lawrence Berkeley National Laboratory funded by the US Department of Energy, Office of Science, Biological and Environmental Research under Contract No. DE-AC02-05CH11231. * Todorov and Worsham are co–first authors.

2018 NEON and 2025 CHESS Campaigns↗
NASA NTRSDate not supplied

Introducing Tropical Geometric Approaches to Delay Tolerant Networking Optimization

Delay Tolerant Networking (DTN) is the standard approach to the networking of space systems with the goal of supporting the Solar System Internet (SSI). Current space networks have a small scale and often depend on rigorously scheduled (pre-determined) contact opportunities; this manual approach inhibits scalability. The goal of this paper is to recast these scheduling problems in order to apply the optimization machinery of tropical geometry. Contact opportunities in space are dependent on such factors as orbital mechanics and asset availability, which induce time-varying connectivity; indeed, end-to-end connectivity might never occur. Routing optimization within this structure is classically difficult and typically utilizes Dijkstra's algorithm as applied to contact graphs. Alternatively, we follow the successes of tropical geometry in train schedule optimization, job assignments, and even traditional networking, by extending this approach to this more general (i.e. disconnected) problem space. These successes imply tropical geometry provides a useful framework in the context of DTNs, starting with applications to queuing theory and long-haul links. Recently, tropical geometry has been applied to parametric path optimization on graphs with variable edge weights. In this work, we extend these advances to account for the problem of routing in a space network, and find that tropical geometry is well-suited to the challenges offered by this new setting, including contact schedules featuring probabilities. Our approach leverages the combinatorial nature of the problem to give feasible shortest path trees in the presence of variable channel conditions and latency, evolving topologies, and uncertainty inherent in space routing. We discuss our tropical approach to DTN for two Python implementations, a Verilog Tropical ALU implementation, tropical frameworks for other parametric graph problems, and solution stability. Lastly, a program for future work is included to illuminate the path ahead.

Delay Tolerant Networking↗
NASA NTRS2024

Low-Cost Sensor Performance Intercomparison, Correction Factor Development, and 2+ Years of Ambient PM2.5 Monitoring in Accra, Ghana

Particulate matter air pollution is a leading cause of global mortality, particularly in Asia and Africa. Addressing the high and wide-ranging air pollution levels requires ambient monitoring, but many low- and middle-income countries (LMICs) remain scarcely monitored. To address these data gaps, recent studies have utilized low-cost sensors. These sensors have varied performance, and little literature exists about sensor intercomparison in Africa. By colocating 2 QuantAQ Modulair-PM, 2 PurpleAir PA-II SD, and 16 Clarity Node-S Generation II monitors with a reference-grade Teledyne monitor in Accra, Ghana, we present the first intercomparisons of different brands of low-cost sensors in Africa, demonstrating that each type of low-cost sensor PM2.5 is strongly correlated with reference PM2.5, but biased high for ambient mixture of sources found in Accra. When compared to a reference monitor, the QuantAQ Modulair-PM has the lowest mean absolute error at 3.04 μg/m3, followed by PurpleAir PA-II (4.54 μg/m3) and Clarity Node-S (13.68 μg/m3). We also compare the usage of 4 statistical or machine learning models (Multiple Linear Regression, Random Forest, Gaussian Mixture Regression, and XGBoost) to correct low-cost sensors data, and find that XGBoost performs the best in testing (R2: 0.97, 0.94, 0.96; mean absolute error: 0.56, 0.80, and 0.68 μg/m3 for PurpleAir PA-II, Clarity Node-S, and Modulair-PM, respectively), but tree-based models do not perform well when correcting data outside the range of the colocation training. Therefore, we used Gaussian Mixture Regression to correct data from the network of 17 Clarity Node-S monitors deployed around Accra, Ghana, from 2018 to 2021. We find that the network daily average PM2.5 concentration in Accra is 23.4 μg/m3, which is 1.6 times the World Health Organization Daily PM2.5 guideline of 15 μg/m3. While this level is lower than those seen in some larger African cities (such as Kinshasa, Democratic Republic of the Congo), mitigation strategies should be developed soon to prevent further impairment to air quality as Accra, and Ghana as a whole, rapidly grow.

Humidity↗
DOE OSTI2022

Nitrogen increases early‐stage and slows late‐stage decomposition across diverse grasslands

1. To evaluate how increased anthropogenic nutrient inputs alter carbon cycling in grasslands, we conducted a litter decomposition study across 20 temperate grasslands on three continents within the Nutrient Network, a globally distributed nutrient enrichment experiment 2. We determined the effects of addition of experimental nitrogen (N), phosphorus (P) and potassium plus micronutrient (K μ ) on decomposition of a common tree leaf litter in a long-term study (maximum of 7 years; exact deployment period varied across sites). The use of higher order decomposition models allowed us to distinguish between the effects of nutrients on early- versus late-stage decomposition. 3. Across continents, the addition of N (but not other nutrients) accelerated early-stage decomposition and slowed late-stage decomposition, increasing the slowly decomposing fraction by 28% and the overall litter mean residence time by 58%. 4. Synthesis. Using a novel, long-term cross-site experiment, we found widespread evidence that N enhances the early stages of above-ground plant litter decomposition across diverse and widespread temperate grassland sites but slows late-stage decomposition. These findings were corroborated by fitting the data to multiple decomposition models and have implications for N effects on soil organic matter formation. For example, following N enrichment, increased microbial processing of litter substrates early in decomposition could promote the production and transfer of low molecular weight compounds to soils and potentially enhance the stabilization of mineral-associated organic matter. By contrast, by slowing late-stage decomposition, N enrichment could promote particulate organic matter (POM) accumulation. Such hypotheses deserve further testing.

Nutrient Network (NutNet)↗
DOE OSTI2026

AmeriFlux US-NYa NYSM - Voorheesville

This is the AmeriFlux version of the carbon flux data for the site US-NYa NYSM - Voorheesville. Site Description - Located in an orchard/vineyard setting. It is an open area surrounded by orchards and some larger trees. Obstructions within 100m include some orchards/trees. The soil type is chenango gravelly silt loam, loamy substratum. This site is a part of the New York State Mesonet Flux Network, one of multiple subnetworks (e.g. Profiler, Snow) operated by the New York State Mesonet. It also operates as a Standard meteorological site.

Miller, Scott [University at Albany]↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-xUK NEON The University of Kansas Field Station (UKFS)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xUK NEON The University of Kansas Field Station (UKFS). This is the FLUXNET version of the carbon flux data for the site US-xUK NEON The University of Kansas Field Station (UKFS) produced by applying the standard ONEFlux (1F) software. Site Description - Along an eastern deciduous forest and tallgrass prairie transition zone just north of Lawrence, Kansas, this 6 km2 terrestrial field site is located at the University of Kansas Field Station. A 116' tall flux tower rises out of a mixed hardwood forest dominated by white ash trees. Field obdservations of plants, animals, soils and microbes are collected around the tower and in the nearby tallgrass prairie.

Network), NEON (National Ecological Observatory↗
NASA NTRSDate not supplied

Aerial Vehicle Routing and Scheduling for UAS Traffic Management: A Hybrid Monte Carlo Tree Search Approach

We present the Multi-Route Weighted Package Delivery Problem (MRWPDP) and a scalable solution methodology as a major step towards enabling an airspace deconfliction service for drone delivery operations. The problem is motivated by Strategic deconfliction under the FAA’s “Unmanned Aircraft Systems Traffic Management” Concept of Operations. MRWPDP falls under a class of vehicle routing and scheduling problems, and as such is NP-Hard. In MRWPDP, a graph network is given which consists of depots, drop-off sites, and multiple routes connecting the two. In addition, routes are weighted by the associated ground risk and total travel distance for package delivery. The goal is to optimally schedule the departure time and assign routes to a known set of vehicles at the depot. We propose a heuristic solution to the problem by borrowing techniques from Mixed Integer Linear Programming (MILP), Constraint Programming, and Monte Carlo Tree Search (MCTS). The resulting hybrid framework is MCTS with Bound-and-Prune (BP) and rapid simulated updates (U), or MCTS-BP-U. This approach is able to quickly provide a feasible solution for MRWPDP, even for large problem instances up to 1000 vehicles. We provide a MILP formulation of MRWPDP and compare its performance against MCTS-BP-U in terms of solution quality. An agent-based model simulation is conducted as a final step to validate the efficacy of our approach.

air traffic scheduling↗
NASA NTRSDate not supplied

Aerial Vehicle Routing and Scheduling for UAS Traffic Management: A Hybrid Monte Carlo Tree Search Approach

We present the Multi-Route Weighted Package Delivery Problem (MRWPDP) and a scalable solution methodology as a major step towards enabling an airspace deconfliction service for drone delivery operations. The problem is motivated by Strategic deconfliction under the FAA’s “Unmanned Aircraft Systems Traffic Management” Concept of Operations. MRWPDP falls under a class of vehicle routing and scheduling problems, and as such is NP-Hard. In MRWPDP, a graph network is given which consists of depots, drop-off sites, and multiple routes connecting the two. In addition, routes are weighted by the associated ground risk and total travel distance for package delivery. The goal is to optimally schedule the departure time and assign routes to a known set of vehicles at the depot. We propose a heuristic solution to the problem by borrowing techniques from Mixed Integer Linear Programming (MILP), Constraint Programming, and Monte Carlo Tree Search (MCTS). The resulting hybrid framework is MCTS with Bound-and-Prune (BP) and rapid simulated updates (U), or MCTS-BP-U. This approach is able to quickly provide a feasible solution for MRWPDP, even for large problem instances up to 1000 vehicles. We provide a MILP formulation of MRWPDP and compare its performance against MCTS-BP-U in terms of solution quality. An agent-based model simulation is conducted as a final step to validate the efficacy of our approach.

air traffic scheduling↗
DOE OSTI2022

Nth-plant scenario for forest resources and short rotation woody crops: Biorefineries and depots in the contiguous US

Estimating the US potential of woody material is of vital importance to ensure cost-effective supply logistics and develop a sustainable bioenergy and bioproducts industry. We analyzed a mature conversion technology for woody resources for the contiguous US that takes advantage of economies of scale: the nth-plant. Here, we developed a database to quantify the total accessible woody biomass within a distributed network of preprocessing depots and biorefineries considering both quality specifications for conversion and a target cost to compete with fossil fuels. We considered two categories of woody biomass: 1) forest residues from trees, tops and limbs produced from conventional thinning and timber harvesting operations as well as non-timber tree removal; and 2) short rotation woody crops such as poplar, willow, pine, and eucalyptus. A mixed integer linear programming model was developed to analyze scenarios with woody feedstock blends at variable biomass ash contents and cost targets at the biorefinery. When considering a target cost of 85.51 dollars/dry ton (2016$) at the biorefinery, the maximum accessible biomass from forest residues in 2040 remained constant at 106 million dry tons regardless of ash targets. Including short rotation woody crops as part of the blend increased the total accessible biomass to 153 and 195 million dry tons at ash targets of 1% and 1.75%, respectively. We concluded from our analysis that woody resources could address about 55% of EPA’s (Environmental Protection Agency) target of 16 billion gallons of cellulosic biofuel.

09 BIOMASS FUELS↗
NASA NTRS1989

Advances in image compression and automatic target recognition; Proceedings of the Meeting, Orlando, FL, Mar. 30, 31, 1989

Various papers on image compression and automatic target recognition are presented. Individual topics addressed include: target cluster detection in cluttered SAR imagery, model-based target recognition using laser radar imagery, Smart Sensor front-end processor for feature extraction of images, object attitude estimation and tracking from a single video sensor, symmetry detection in human vision, analysis of high resolution aerial images for object detection, obscured object recognition for an ATR application, neural networks for adaptive shape tracking, statistical mechanics and pattern recognition, detection of cylinders in aerial range images, moving object tracking using local windows, new transform method for image data compression, quad-tree product vector quantization of images, predictive trellis encoding of imagery, reduced generalized chain code for contour description, compact architecture for a real-time vision system, use of human visibility functions in segmentation coding, color texture analysis and synthesis using Gibbs random fields.

Tescher, Andrew G.↗
NASA NTRS2011

NASA Tech Briefs, May 2011

Topics covered include: 1) Method to Estimate the Dissolved Air Content in Hydraulic Fluid; 2) Method for Measuring Collimator-Pointing Sensitivity to Temperature Changes; 3) High-Temperature Thermometer Using Cr-Doped GdAlO3 Broadband Luminescence; 4)Metrology Arrangement for Measuring the Positions of Mirrors of a Submillimeter Telescope; 5) On-Wafer S-Parameter Measurements in the 325-508-GHz Band; 6) Reconfigurable Microwave Phase Delay Element for Frequency Reference and Phase-Shifter Applications; 7) High-Speed Isolation Board for Flight Hardware Testing; 8) High-Throughput, Adaptive FFT Architecture for FPGA-Based Spaceborne Data Processors; 9) 3D Orbit Visualization for Earth-Observing Missions; 10) MaROS: Web Visualization of Mars Orbiting and Landed Assets; 11) RAPID: Collaborative Commanding and Monitoring of Lunar Assets; 12) Image Segmentation, Registration, Compression, and Matching; 13) Image Calibration; 14) Rapid ISS Power Availability Simulator; 15) A Method of Strengthening Composite/Metal Joints; 16) Pre-Finishing of SiC for Optical Applications; 17) Optimization of Indium Bump Morphology for Improved Flip Chip Devices; 18) Measuring Moisture Levels in Graphite Epoxy Composite Sandwich Structures; 19) Marshall Convergent Spray Formulation Improvement for High Temperatures; 20) Real-Time Deposition Monitor for Ultrathin Conductive Films; 21) Optimized Li-Ion Electrolytes Containing Triphenyl Phosphate as a Flame-Retardant Additive; 22) Radiation-Resistant Hybrid Lotus Effect for Achieving Photoelectrocatalytic Self-Cleaning Anticontamination Coatings; 23) Improved, Low-Stress Economical Submerged Pipeline; 24) Optical Fiber Array Assemblies for Space Flight on the Lunar Reconnaissance Orbiter; 25) Local Leak Detection and Health Monitoring of Pressurized Tanks; 26) Dielectric Covered Planar Antennas at Submillimeter Wavelengths for Terahertz Imaging; 27) Automated Cryocooler Monitor and Control System; 28) Broadband Achromatic Phase Shifter for a Nulling Interferometer; 29) Super Dwarf Wheat for Growth in Confined Spaces; 30) Fine Guidance Sensing for Coronagraphic Observatories; 31) Single-Antenna Temperature- and Humidity-Sounding Microwave Receiver; 32) Multi-Wavelength, Multi-Beam, and Polarization-Sensitive Laser Transmitter for Surface Mapping; 33) Optical Communications Link to Airborne Transceiver; 34) Ascent Heating Thermal Analysis on Spacecraft Adaptor Fairings; 35) Entanglement in Self-Supervised Dynamics; 36) Prioritized LT Codes; 37) Fast Image Texture Classification Using Decision Trees; 38) Constraint Embedding Technique for Multibody System Dynamics; 39) Improved Systematic Pointing Error Model for the DSN Antennas; 40) Observability and Estimation of Distributed Space Systems via Local Information-Exchange Networks; 41) More-Accurate Model of Flows in Rocket Injectors; 42) In-Orbit Instrument-Pointing Calibration Using the Moon as a Target; 43) Reliability of Ceramic Column Grid Array Interconnect Packages Under Extreme Temperatures; 44) Six Degrees-of-Freedom Ascent Control for Small-Body Touch and Go; and 45) Optical-Path-Difference Linear Mechanism for the Panchromatic Fourier Transform Spectrometer.

Source record↗
DOE OSTI2025

Simultaneous prediction of structural properties in epitaxially–grown GaN with quantum and conventional multi–output learning algorithms

Hundreds of GaN thin film crystal plasma–assisted molecular beam epitaxy synthesis experiment records spanning two decades were organized into a dataset correlating the growth experiment design parameters with discrete, binary determinations of crystallinity and surface morphology. Conventional data science techniques as well as both quantum and classical multi–output supervised machine learning algorithms were implemented to investigate the relationships between the operating parameter data and the structural figures of merit. Correlation coefficients, decision tree nodes, p–values, and SHAP values all support substrate temperature and gallium effusion cell conditions as being statistically significant for simultaneously influencing GaN crystallinity and surface morphology. Here, a conventional deep neural network learned best from the data, followed by a quantum–classical hybrid gradient boosting algorithm. When combined with calculations of uncertainty intervals based on VennAbers predictors, machine learning predictions of both structural properties show good agreement with results reported in published experimental literature.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine learning-based analysis of COVID-19 pandemic impact on US research networks

Here in this study we explore how fallout from the changing public health policy around COVID-19 has changed how researchers access and process their science experiments. Using a combination of techniques from statistical analysis and machine learning, we conduct a retrospective analysis of historical network data for a period around the stay-at-home orders that took place in March 2020. Our analysis takes data from the entire ESnet infrastructure to explore DOE high-performance computing (HPC) resources at OLCF, ALCF, and NERSC, as well as User sites such as PNNL and JLAB. We look at detecting and quantifying changes in site activity using a combination of t-Distributed Stochastic Neighbor Embedding (t-SNE) and decision tree analysis. Our findings bring insights into the working patterns and impact on data volume movements, particularly during late-night hours and weekends.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1998

The P-Mesh: A Commodity-based Scalable Network Architecture for Clusters

We designed a new network architecture, the P-Mesh which combines the scalability and fault resilience of a torus with the performance of a switch. We compare the scalability, performance, and cost of the hub, switch, torus, tree, and P-Mesh architectures. The latter three are capable of scaling to thousands of nodes, however, the torus has severe performance limitations with that many processors. The tree and P-Mesh have similar latency, bandwidth, and bisection bandwidth, but the P-Mesh outperforms the switch architecture (a lower bound for tree performance) on 16-node NAB Parallel Benchmark tests by up to 23%, and costs 40% less. Further, the P-Mesh has better fault resilience characteristics. The P-Mesh architecture trades increased management overhead for lower cost, and is a good bridging technology while the price of tree uplinks is expensive.

Nitzberg, Bill↗