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Bayesian Gaussian process inference for neutron spin echo measurement

Neutron spin echo (NSE) spectroscopy provides unique access to microscopic dynamics, but its application is often constrained by low neutron flux, long acquisition times, and significant noise. Here, we present a Bayesian inference approach based on Gaussian process regression (GPR) to reconstruct high-quality spin echo signals from sparse and noisy data by exploiting correlations in reciprocal space. Benchmarks on synthetic datasets and validation with experimental NSE measurements of dendrimers show that GPR suppresses noise, interpolates missing intensity values, and accommodates irregular observations. The method improves accuracy, shortens acquisition times, and enables high-throughput and real-time studies. Beyond NSE, the framework is broadly applicable to other low signal-to-noise ratio scattering techniques, thereby extending the scope of neutron spectroscopy.

Tung, Chi-Huan [Oak Ridge National Laboratory (ORN

CryoTEN: efficiently enhancing cryo-EM density maps using transformers

Abstract Motivation Cryogenic electron microscopy (cryo-EM) is a core experimental technique used to determine the structure of macromolecules such as proteins. However, the effectiveness of cryo-EM is often hindered by the noise and missing density values in cryo-EM density maps caused by experimental conditions such as low contrast and conformational heterogeneity. Although various global and local map-sharpening techniques are widely employed to improve cryo-EM density maps, it is still challenging to efficiently improve their quality for building better protein structures from them. Results In this study, we introduce CryoTEN—a 3D UNETR++ style transformer to improve cryo-EM maps effectively. CryoTEN is trained using a diverse set of 1295 cryo-EM maps as inputs and their corresponding simulated maps generated from known protein structures as targets. An independent test set containing 150 maps is used to evaluate CryoTEN, and the results demonstrate that it can robustly enhance the quality of cryo-EM density maps. In addition, automatic de novo protein structure modeling shows that protein structures built from the density maps processed by CryoTEN have substantially better quality than those built from the original maps. Compared to the existing state-of-the-art deep learning methods for enhancing cryo-EM density maps, CryoTEN ranks second in improving the quality of density maps, while running >10 times faster and requiring much less GPU memory than them. Availability and implementation The source code and data are freely available at https://github.com/jianlin-cheng/cryoten.

Biochemistry & Molecular Biology

SetGo: Metadata Readiness for Scientific AI Datasets

Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse. The Readiness Engine for Data Integration (REDI) addresses computational readiness, but no corresponding tool evaluates whether a dataset’s metadata are sufficiently complete, governed, and standards-compliant for publication and agent-based consumption. Existing FAIR assessors operate only on published repository records, and no single system covers FAIR compliance, licensing, provenance, governance, reproducibility, and catalog readiness together. We present SetGo, an open-source Python toolkit that assesses and repairs metadata readiness across these six dimensions before a dataset is published or archived. Applied to four scientific corpora, SetGo surfaces deficiencies that general-purpose tools do not detect: ERA5 climate metadata scores 4% on ACDD 1.3 compliance; materials datasets fail OPTIMADE species-definition requirements; and PDB-derived proteomics data carries licensing terms incompatible with standard SPDX identifiers. Guided enrichment raises overall FAIR scores from 52–57% to 81–91%, and a single setgo publish command pushes to Hugging Face Hub, CKAN, or OpenMetadata with ML Commons Croissant 1.0 metadata sidecars. To support interactive and automated workflows, SetGo integrates with coding agents powered by large language models (LLMs) through a /setgo skill that enables natural-language execution of the full assess–enrich–publish loop, with user involvement limited to supplying missing metadata values.

Wilkinson, Sean [ORNL] (ORCID:0000000214437479)

A measurement-based study of concurrency in a multiprocessor

A systematic measurement-based methodology for characterizing the amount of concurrency present in a workload, and the effect of concurrency on system performance indices such as cache miss rate and bus activity are developed. Hardware and software instrumentation of an Alliant FX/8 was used to obtain data from a real workload environment. Results show that 35% of the workload is concurrent, with the concurrent periods typically using all available processors. Measurements of periods of change in concurrency show uneven usage of processors during these times. Other system measures, including cache miss rate and processor bus activity, are analyzed with respect to the concurrency measures. Probability of a cache miss is seen to increase with concurrency. The change in cache miss rate is much more sensitive to the fraction of concurrent code in the worklaod than the number of processors active during concurrency. Regression models are developed to quantify the relationships between cache miss rate, bus activity, and the concurrency measures. The model for cache miss rate predicts an increase in the median miss rate value as much as 300% for a 100% increase in concurrency in the workload.

Mcguire, Patrick John

The VIS-AD data model: Integrating metadata and polymorphic display with a scientific programming language

The VIS-AD data model integrates metadata about the precision of values, including missing data indicators and the way that arrays sample continuous functions, with the data objects of a scientific programming language. The data objects of this data model form a lattice, ordered by the precision with which they approximate mathematical objects. We define a similar lattice of displays and study visualization processes as functions from data lattices to display lattices. Such functions can be applied to visualize data objects of all data types and are thus polymorphic.

Hibbard, William L.

Dreams, Hopes, Realities: NASA's Goddard Space Flight Center, the First Forty Years

Throughout history, the great achievements of civilizations and cultures have been recorded in lists of dates and events. But to look only at the machinery, discoveries, or milestones is to miss the value of these achievements. Each goal achieved or discovery or made represents a supreme effort on the part of individual people who came and worked together for a purpose greater than themselves. Driven by an innate curiosity of the spirit, we have built civilizations and discovered new worlds, always reaching out beyond what we knew or thought was possible. These efforts may have used ships or machinery, but the achievement was that of the humans who made those machines possible- remarkable people willing to endure discomfort, frustration, fatigue, and the risk of failure in the hope of finding out something new. This is the case with the history of the Goddard Space Flight Center. This publication traces the legacy of successes, risks, disappointments and internationally recognized triumphs of the Center's first 40 years. It is a story of technological achievement and scientific discovery; of reaching back to the dawn of time and opening up a new set of eyes on our own planet Earth. In the end, it is not a story about machinery or discoveries, but a story about ourselves. If we were able to step off our planet, and if we continue to discover new mysteries and better technology, it is because the people who work at Goddard always had a passion for exploration and the dedication to make it happen. The text that follows is a testimony to the challenges people at the Goddard Space Flight Center have faced and overcome over almost half a century. Today, we stand on the threshold of a new and equally challenging era. It will once again test our ingenuity, skills, and flexibility as we find new ways of working with our colleagues in industry, government, and academia. Doing more with less is every bit as ambitious as designing the first science instrument to study the heavens. But if we are to continue exploring our world and our universe, it is every bit as important. Robert H. Goddard once said, "The dream of yesterday is the hope of today and the reality of tomorrow." This is our heritage. Our challenge is to keep our spirit of dedication, vision, and innovative thinking alive, so we can turn today's dreams into a new century of possibility and progress. Our journeys into space are the greatest ongoing adventure the human race has ever undertaken, and everyone here has played an important role in that endeavor. This book is about everyone who has worked at the Goddard Space Flight Center.

Wallace, Lane E.

Missing Data and Multiple Imputation: An Unbiased Approach

The default method of dealing with missing data in statistical analyses is to only use the complete observations (complete case analysis), which can lead to unexpected bias when data do not meet the assumption of missing completely at random (MCAR). For the assumption of MCAR to be met, missingness cannot be related to either the observed or unobserved variables. A less stringent assumption, missing at random (MAR), requires that missingness not be associated with the value of the missing variable itself, but can be associated with the other observed variables. When data are truly MAR as opposed to MCAR, the default complete case analysis method can lead to biased results. There are statistical options available to adjust for data that are MAR, including multiple imputation (MI) which is consistent and efficient at estimating effects. Multiple imputation uses informing variables to determine statistical distributions for each piece of missing data. Then multiple datasets are created by randomly drawing on the distributions for each piece of missing data. Since MI is efficient, only a limited number, usually less than 20, of imputed datasets are required to get stable estimates. Each imputed dataset is analyzed using standard statistical techniques, and then results are combined to get overall estimates of effect. A simulation study will be demonstrated to show the results of using the default complete case analysis, and MI in a linear regression of MCAR and MAR simulated data. Further, MI was successfully applied to the association study of CO2 levels and headaches when initial analysis showed there may be an underlying association between missing CO2 levels and reported headaches. Through MI, we were able to show that there is a strong association between average CO2 levels and the risk of headaches. Each unit increase in CO2 (mmHg) resulted in a doubling in the odds of reported headaches.

Foy, M.

An Upper Bound on Orbital Debris Collision Probability When Only One Object has Position Uncertainty Information

Upper bounds on high speed satellite collision probability, P (sub c), have been investigated. Previous methods assume an individual position error covariance matrix is available for each object. The two matrices being combined into a single, relative position error covariance matrix. Components of the combined error covariance are then varied to obtain a maximum P (sub c). If error covariance information for only one of the two objects was available, either some default shape has been used or nothing could be done. An alternative is presented that uses the known covariance information along with a critical value of the missing covariance to obtain an approximate but useful P (sub c) upper bound. There are various avenues along which an upper bound on the high speed satellite collision probability has been pursued. Typically, for the collision plane representation of the high speed collision probability problem, the predicted miss position in the collision plane is assumed fixed. Then the shape (aspect ratio of ellipse), the size (scaling of standard deviations) or the orientation (rotation of ellipse principal axes) of the combined position error ellipse is varied to obtain a maximum P (sub c). Regardless as to the exact details of the approach, previously presented methods all assume that an individual position error covariance matrix is available for each object and the two are combined into a single, relative position error covariance matrix. This combined position error covariance matrix is then modified according to the chosen scheme to arrive at a maximum P (sub c). But what if error covariance information for one of the two objects is not available? When error covariance information for one of the objects is not available the analyst has commonly defaulted to the situation in which only the relative miss position and velocity are known without any corresponding state error covariance information. The various usual methods of finding a maximum P (sub c) do no good because the analyst defaults to no knowledge of the combined, relative position error covariance matrix. It is reasonable to think, given an assumption of no covariance information, an analyst might still attempt to determine the error covariance matrix that results in an upper bound on the P (sub c). Without some guidance on limits to the shape, size and orientation of the unknown covariance matrix, the limiting case is a degenerate ellipse lying along the relative miss vector in the collision plane. Unless the miss position is exceptionally large or the at-risk object is exceptionally small, this method results in a maximum P (sub c) too large to be of practical use. For example, assuming that the miss distance is equal to the current ISS alert volume along-track (+ or -) distance of 25 kilometers and that the at-risk area has a 70 meter radius. The maximum (degenerate ellipse) P (sub c) is about 0.00136. At 40 kilometers, the maximum P (sub c) would be 0.00085 which is still almost an order of magnitude larger than the ISS maneuver threshold of 0.0001. In fact, a miss distance of almost 340 kilometers is necessary to reduce the maximum P (sub c) associated with this degenerate ellipse to the ISS maneuver threshold value. Such a result is frequently of no practical value to the analyst. Some improvement may be made with respect to this problem by realizing that while the position error covariance matrix of one of the objects (usually the debris object) may not be known the position error covariance matrix of the other object (usually the asset) is almost always available. Making use of the position error covariance information for the one object provides an improvement in finding a maximum P (sub c) which, in some cases, may offer real utility. The equations to be used are presented and their use discussed.

Frisbee, Joseph H., Jr.

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with Mongird et al. (in prep) organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSI+RP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_ep_score_raster.tif solar_msi_ep_score_raster.tif wind_msi_ep_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture

Marginal Soils Index Analysis & Geospatial Data

This data package contains output files associated with the Mongird et al. paper entitled "Can US power grid expansion avoid prime agricultural lands?" and is organized into four dataset directories. Each dataset is described in more detail below. 1. Marginal Soils Index Analysis Description: This folder contains a csv file with land needs and availability by state, power generating technology type, and scenario in 2050 when suitable siting areas are additionally constrained to areas with increasing levels of soil marginality. Files: msi_constrained_siting_availability_2050.csv Variables: Scenario - Projected 2050 scenario name State - US state abbreviation Technology - Generating technology type solar = solar photovoltaic gas_cc_re = natural gas combined cycle (recirculating cooling) wind = onshore wind gas_cc_ccs_re = natural gas combined cycle with carbon capture sequestration (recirculating cooling) gas_cc_dry = natural gas combined cycle with (dry cooling) gas_cc_pond = natural gas combined cycle with (pond cooling) coal_conv_ccs_re = conventional coal with carbon capture sequestration (recirculating cooling) Req_Capacity_MW - The amount of rated capacity required in 2050 of the given technology type in the given state and under the given scenario from the capacity expansion plan Req_Capacity_Factor - The assumed capacity factor (fraction between 0 and 1) for the given technology type in the given state and under the given scenario by the capacity expansion plan Req_Land_km2 - The amount of land required (in km-squared) to host the required generating capacity that is capable of meeting the specified capacity factor for the given technology type in the given state and under the given scenario Req_Energy_TWh - Product of Req_Capacity_MW, Req_Capacity_Factor, and 8760/1e6 for the given technology type in the given state and under the given scenario MSI_Case - The level of MSI that siting the given technology is additionally constrained to, where >0 means siting is additionally constrained to suitable land areas that have an MSI value greater than 0 >=1 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 1 >=2 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 2 >=3 means siting is additionally constrained to suitable land areas that have an MSI value greater than or equal to 3 Soil Attribute Rasters Description: This folder contains geospatial raster files for individual soil parameters upscaled to the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of non-missing 30m resolution values. All raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. Files: avg_cond_raster_ .tif - Average conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm max_cond_raster_ .tif - Maximum conductivity of the saturation extract across all soil horizons within a depth of 40 inches, measured in mmhos/cm min_ph_raster_ .tif- Min pH values across all soil horizons within a depth of 40 inches. avg_ph_raster_ .tif - Average pH value across all soil horizons within a depth of 40 inches. max_ph_raster_ .tif- Max pH value across all soil horizons within a depth of 40 inches. erosion_factor_raster_ .tif - Product of k-factor and percent slope flood_freq_raster_ .tif - Number of months of the year during which the area is commonly, frequently, or very frequently flooded. max_sar_raster_ .tif - Maximum sodium adsorption ratio across all horizons within a depth of 40 inches rock_frac_raster_ .tif - Fraction of the upper 6 inches of soil composed of rock fragments larger than 3 inches. temp_regime_raster_ .tif - Soil temperature regime with the following key: 0 = pergelic 1 = gelic 2 = cryic 3 = frigid 4 = isofrigid 5 = mesic 6 = isomesic 7 = thermic 8 = isothermic 9 = hyperthermic 10 =isohyperthermic Marginal Soils Index Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index at the listed grid resolution (30m or 1 km). 1 km resolution files are a spatial average of 30m resolution. Both raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. A value of 0 indicates that there were no soil attributes present that indicate marginal soil. NA values indicate that data was unavailable or bodies of water. Files: marginal_soils_index_30m_raster.tif marginal_soils_index_1km_raster.tif Marginal Soils Index Resource Potential Rasters Description: This folder contains geospatial raster files of the Marginal Soils Index + Resource Potential (MSIxRP) score at 1km resolution for geothermal, solar, and wind technologies. Raster files use the USA Contiguous Albers Equal Area Conic (ESRI:102003) projection. NA values indicate that the location is not suitable for siting the given technology due to policy, environmental, socioeconomic, topological, and other constraints regardless of soil marginality level. Areas with values greater than or equal to zero represent the product of the normalized MSI value and the normalized resource potential value. Files: geothermal_msi_rp_score_raster.tif solar_msi_rp_score_raster.tif wind_msi_rp_score_raster.tif Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Agriculture

The 2010 Desert Rats Science Operations Test: Outcomes and Lessons Learned

The Desert RATS 2010 Team tested a variety of science operations management techniques, applying experience gained during the manned Apollo missions and the robotic Mars missions. This test assessed integrated science operations management of human planetary exploration using real-time, tactical science operations to oversee daily crew science activities, and a night shift strategic science operations team to conduct strategic level assessment of science data and daily traverse results. In addition, an attempt was made to collect numerical metric data on the outcome of the science operations to assist test evaluation. The two most important outcomes were 1) the production of significant (almost overwhelming) volume of data produced during daily traverse operations with two rovers, advanced imaging systems and well trained, scientifically proficient crew-members, and 2) the degree to which the tactical team s interaction with the surface crew enhanced science return. This interaction depended on continuous real-time voice and data communications, and the quality of science return from any human planetary exploration mission will be based strongly on the aggregate interaction between a well trained surface crew and a dedicated science operations support team using voice and imaging data from a planet s surface. In addition, the scientific insight developed by both the science operations team and the crews could not be measurable by simple numerical quantities, and its value will be missed by a purely metric-based evaluation of test outcome. In particular, failure to recognize the critical importance of this qualitative type interaction may result in mission architecture choices that will reduce science return.

Eppler, D. B.

NASA Controller Acceptability Study 1(CAS-1) Experiment Description and Initial Observations

This paper describes the Controller Acceptability Study 1 (CAS-1) experiment that was conducted by NASA Langley Research Center personnel from January through March 2014 and presents partial CAS-1 results. CAS-1 employed 14 air traffic controller volunteers as research subjects to assess the viability of simulated future unmanned aircraft systems (UAS) operating alongside manned aircraft in moderate-density, moderate-complexity Class E airspace. These simulated UAS were equipped with a prototype pilot-in-the-loop (PITL) Detect and Avoid (DAA) system, specifically the Self-Separation (SS) function of such a system based on Stratway+ software to replace the see-and-avoid capabilities of manned aircraft pilots. A quantitative CAS-1 objective was to determine horizontal miss distance (HMD) values for SS encounters that were most acceptable to air traffic controllers, specifically HMD values that were assessed as neither unsafely small nor disruptively large. HMD values between 0.5 and 3.0 nautical miles (nmi) were assessed for a wide array of encounter geometries between UAS and manned aircraft. The paper includes brief introductory material about DAA systems and their SS functions, followed by descriptions of the CAS-1 simulation environment, prototype PITL SS capability, and experiment design, and concludes with presentation and discussion of partial CAS-1 data and results.

Chamberlain, James P.

An Upper Bound on High Speed Satellite Collision Probability When Only One Object has Position Uncertainty Information

Upper bounds on high speed satellite collision probability, PC †, have been investigated. Previous methods assume an individual position error covariance matrix is available for each object. The two matrices being combined into a single, relative position error covariance matrix. Components of the combined error covariance are then varied to obtain a maximum PC. If error covariance information for only one of the two objects was available, either some default shape has been used or nothing could be done. An alternative is presented that uses the known covariance information along with a critical value of the missing covariance to obtain an approximate but potentially useful Pc upper bound.

Frisbee, Joseph H., Jr.

Upgraded automotive gas turbine engine design and development program, volume 2

Results are presented for the design and development of an upgraded engine. The design incorporated technology advancements which resulted from development testing on the Baseline Engine. The final engine performance with all retro-fitted components from the development program showed a value of 91 HP at design speed in contrast to the design value of 104 HP. The design speed SFC was 0.53 versus the goal value of 0.44. The miss in power was primarily due to missing the efficiency targets of small size turbomachinery. Most of the SFC deficit was attributed to missed goals in the heat recovery system relative to regenerator effectiveness and expected values of heat loss. Vehicular fuel consumption, as measured on a chassis dynamometer, for a vehicle inertia weight of 3500 lbs., was 15 MPG for combined urban and highway driving cycles. The baseline engine achieved 8 MPG with a 4500 lb. vehicle. Even though the goal of 18.3 MPG was not achieved with the upgraded engine, there was an improvement in fuel economy of 46% over the baseline engine, for comparable vehicle inertia weight.

Wagner, C. E.

Predicting Missing Regions in Charged Particle Tracks Using a Sparse 3D Convolutional Neural Network

The 2x2 Demonstrator is a prototype of ND-LAr, the liquid argon time-projection chamber of the Deep Underground Neutrino Experiment’s Near Detector complex. Both the 2x2 Demonstrator and ND-LAr are modular detectors that will have pixelated charge readouts and inactive regions wherein there is no sensitivity to charge deposition and light signals that arise from charged particle interactions with liquid argon. In the 2x2, these inactive regions are located in between the active detector modules, which introduces the challenge of inferring what charge signals ought to look like in these regions. This study explores the use of a Sparse 3D Convolutional Neural Network (ConvNet) to infer missing regions in charged particle tracks. Hits corresponding to energy depositions are voxelized into a three-dimensional grid for each track. Voxels that fall into predefined inactive regions are removed to simulate the lack of detector output. The model is trained to infer the topology of the missing track voxels, with the ultimate goal of inferring the missing charge or energy values in these voxels as well. Results indicate that this approach shows promise in prediction of missing track regions with some accuracy.

Utaegbulam, Hilary

Comparison of Daily Total Precipitable Water From Satellite and Model Reanalysis Fields

Previous studies have shown that there is fairly good agreement between the monthly values of total precipitable water (TPW) from the NVAP data set, a multi satellite and radiosonde merged data product, and the NCEP reanalysis TPW data. However, there are regions and time periods where significant differences between the data sets are found in the monthly mean TPW time series and period of record trends. To better understand these differences seen in the monthly data values, the daily mean TPW data are examined. Possible contributions to the TPW differences such as data quality of the individual NVAP data set components associated with missing or irregular daily values are addressed. Also, effects associated with the weighting of the individual NVAP data set components to form a merged product are considered. The daily variations in TPW exhibited by each data set are also quantified and compared between the data sets.

Jedlovec, Gary J.

The Effect of Missing Groups in the Calculation of the Solar Irradiance Deficit: Analysis of the Sunspot Areas from the SOON Network

Sunspot areas are one of the most important indices of solar activity. To obtain an extended time series covering multiple solar cycles one must combine data from different observatories after a proper comparison and calibration of the individual data sets. We compare the daily and group values of sunspot areas provided by the different stations from the Solar Optical Observing Network, SOON, which are determined using similar instruments and techniques. We investigate if there are systematic differences among the stations and whether the differences in the daily values can be attributed to missing groups in the records or errors in the measurements. We find significant differences among the stations of the SOON network in terms of sizes (average daily and group values), quality of observations and coverage (considering number of missing groups and data gaps). Our results indicate that calibration factors for daily values can be used with confidence to combine data sets from different stations. However, for some applications which require the location of the sunspot groups the same correction factors should not be used. We estimate the irradiance deficit due to sunspot through the Photometric Sunspot Index and compare the output from similar data sets to quantify the effect of missing groups. We find differences as high as 150 ppm during the maximum of solar cycle. The effect increases for sunspot groups near the center of the disk accounting for about 80% of the observed differences.

Luis Leuzzi

Hot or Not? An Evaluation of Methods for Identifying Hot Moments of Nitrous Oxide Emissions From Soils

Abstract Effectively quantifying hot moments of nitrous oxide (N 2 O) emissions from agricultural soils is critical for managing this potent greenhouse gas. However, we are challenged by a lack of standard approaches for identifying hot moments, including (a) determining thresholds above which emissions are considered hot moments, and (b) considering seasonal variation in the magnitude and frequency distribution of net N 2 O fluxes. We used one year of hourly N 2 O flux measurements from 16 autochambers that varied in flux magnitude and frequency distribution in a conventionally tilled maize field in central Illinois, USA, to compare three approaches to identify hot moment thresholds: standard deviations (SD) above the mean, 1.5x the interquartile range (IQR), and isolation forest (IF) identification of anomalous values. We also compared these approaches on seasonally subdivided data (early, late, and non‐growing seasons) versus the whole year. Our analyses revealed that 1.5x IQR method best identified N 2 O hot moments. In contrast, using 2 or 4 SD both yielded hot moment threshold values too high, and IF yielded threshold values too low, leading to missed N 2 O hot moments or low net N 2 O fluxes mischaracterized as hot moments, respectively. Furthermore, seasonally subdividing the data set not only facilitated identification of smaller hot moments in the late‐ and non‐growing seasons when N 2 O hot moments were generally smaller but it also increased hot moment threshold values in the early growing season when N 2 O hot moments were larger. Consequently, of the methods evaluated here, we recommend using the 1.5x IQR method on whole year data sets to identify N 2 O hot moments.

Stuchiner, Emily R. [Institute for Sustainability,