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At least 1,711 records · Page 95

Author Correction: Microbial Metagenomes Across a Complete Phytoplankton Bloom Cycle: High-Resolution Sampling Every 4 Hours Over 22 Days

In the version of this article initially published, two errors in authorship were made. First, Tatiana Rynearson of the School of Oceanography, University of Rhode Island was mistakenly omitted from the final author list. Second, Kurt LaButti of the Joint Genome Institute was mistakenly omitted from the final author list and replaces Alicia Clum due to a staffing change at the Joint Genome Institute. These authorship omissions were not identified until after the work had been published. We are updating the authorship to appropriately recognize the contributions of these authors. The error has been corrected in the PDF and HTML versions of the article.

59 BASIC BIOLOGICAL SCIENCES↗

The impact of curation errors in the PDBBind Database on machine learning predictions of protein–protein binding affinity

The PDBBind database has been widely utilized for the computational prediction of protein–protein binding affinities. While the accuracy of the PDBBind-curated equilibrium dissociation constants (K D ) has been reported for the protein–ligand subset of the PDBBind database, the curation accuracy has not been reported for the protein–protein subset. Here, we present a detailed manual analysis for the subset of PDBBind records with PubMed Central Open Access primary publications and find that ~19% of these records had K D values that were not supported by their primary publications. The impact of these putative curation errors on the machine learning-based prediction of K D from experimental protein–protein 3D structures was evaluated and correcting the curation errors improved the Pearson correlation coefficient between measured and random forest-predicted log 10 (K D ) values by ~8 percentage points. This finding underscores the importance of dataset accuracy for computational modelling and highlights the need for more stringent curation processes when extracting information from the scientific literature.

59 BASIC BIOLOGICAL SCIENCES↗

SU-E-J-114: A Practical Hybrid Method for Improving the Quality of CT-CBCT Deformable Image Registration for Head and Neck Radiotherapy

Purpose: Accurate deformable image registration (DIR) between CT and CBCT in H&N is challenging. In this study, we propose a practical hybrid method that uses not only the pixel intensities but also organ physical properties, structure volume of interest (VOI), and interactive local registrations. Methods: Five oropharyngeal cancer patients were selected retrospectively. For each patient, the planning CT was registered to the last fraction CBCT, where the anatomy difference was largest. A three step registration strategy was tested; Step1) DIR using pixel intensity only, Step2) DIR with additional use of structure VOI and rigidity penalty, and Step3) interactive local correction. For Step1, a public-domain open-source DIR algorithm was used (cubic B-spline, mutual information, steepest gradient optimization, and 4-level multi-resolution). For Step2, rigidity penalty was applied on bony anatomies and brain, and a structure VOI was used to handle the body truncation such as the shoulder cut-off on CBCT. Finally, in Step3, the registrations were reviewed on our in-house developed software and the erroneous areas were corrected via a local registration using level-set motion algorithm. Results: After Step1, there were considerable amount of registration errors in soft tissues and unrealistic stretching in the posterior to the neck and near the shoulder due to body truncation. The brain was also found deformed to a measurable extent near the superior border of CBCT. Such errors could be effectively removed by using a structure VOI and rigidity penalty. The rest of the local soft tissue error could be corrected using the interactive software tool. The estimated interactive correction time was approximately 5 minutes. Conclusion: The DIR using only the image pixel intensity was vulnerable to noise and body truncation. A corrective action was inevitable to achieve good quality of registrations. We found the proposed three-step hybrid method efficient and practical for CT/CBCT registrations in H&N. My department receives grant support from Industrial partners: (a) Varian Medical Systems, Palo Alto, CA, and (b) Philips HealthCare, Best, Netherlands.

60 APPLIED LIFE SCIENCES↗

Spacelab high density digital recorders

The design and performance of the high-density digital recorder (HDDR) developed for use at the NASA centers (KSC, JSC, and GSFC) and at the JPL to store and retrieve 50-Mb/s PCM data streams from the Spacelab experiments are reported. The recording reproduction, and transport requirements are reviewed; and the design solutions adopted in the final version of the HDDR are described, incuding three-position-modulation and Y-phase encoding, microprocessor-controlled automatic bit synchronization and equalization, cyclic-redundancy-check error detection and correction, clock regeneration, data and clock variations, tape-speed control, and EEE-488 remote control. Reliable performance, with bit error rates 1 in 10 to the 10th forward and 1 in 10 to the 9th reverse or better and packing density up to 50 percent greater than that obtainable using conventional codes, is reported after 1.5 years of service.

Blais, R. A.↗

Preparing and Analyzing Iced Airfoils

SmaggIce version 1.2 is a computer program for preparing and analyzing iced airfoils. It includes interactive tools for (1) measuring ice-shape characteristics, (2) controlled smoothing of ice shapes, (3) curve discretization, (4) generation of artificial ice shapes, and (5) detection and correction of input errors. Measurements of ice shapes are essential for establishing relationships between characteristics of ice and effects of ice on airfoil performance. The shape-smoothing tool helps prepare ice shapes for use with already available grid-generation and computational-fluid-dynamics software for studying the aerodynamic effects of smoothed ice on airfoils. The artificial ice-shape generation tool supports parametric studies since ice-shape parameters can easily be controlled with the artificial ice. In such studies, artificial shapes generated by this program can supplement simulated ice obtained from icing research tunnels and real ice obtained from flight test under icing weather condition. SmaggIce also automatically detects geometry errors such as tangles or duplicate points in the boundary which may be introduced by digitization and provides tools to correct these. By use of interactive tools included in SmaggIce version 1.2, one can easily characterize ice shapes and prepare iced airfoils for grid generation and flow simulations.

Vickerman, Mary B.↗

Modeling Measurement Error in Dose-Response Models of Community Annoyance to Low-Noise Supersonic Flight

The primary research goal of the forthcoming NASA Quesst mission community test campaign is to collect representative community response data in support of the development of supersonic overflight noise certification standards. Beginning in 2026, NASA will fly the novel X-59 demonstrator aircraft over select communities in United States in order to demonstrate the possibility of low-noise supersonic flight over land and to collect objective measurements and subjective data on the perceptual experience of this new noise source. It is believed that a regression of a binary perceptual response (‘highly annoyed’ or ‘not’) on estimated noise levels (doses, measured in decibels) will provide a useful dose-response relationship for regulators. However, as these estimated doses will be subject to measurement error, naïve estimators of regression coefficients are inconsistent and slopes may be subject to attenuation bias. In this presentation, I contrast functional modeling of measurement error via simulation extrapolation (SIMEX) with structural Bayesian measurement error models. These methods are applied to available data collected during two NASA risk reduction studies in California in 2011 and Texas in 2018. I’ll conclude noting that in the presence of nonnegligible measurement errors, probabilities of annoyance may be overpredicted for low noise levels and underpredicted for high noise levels, therefore, methods of correcting for measurement error will be necessary to improve the utility of the dose-response relationship for policy-making purposes.

simulation↗

Application of in-flight thrust determination uncertainty

A numerical example is given of a previously proposed methodology for the evaluation of in-flight thrust measurement uncertainty, using data extracted from a performance report comparing two different missile prototypes under a variety of flight conditions. Attention is given to the data for the AGM-68B Air Launched Cruise Missile, which is powered by the F107 dual-spool, mixed flow turbofan engine. Assessments are made of the definition of the measurement process, instrumentation error estimation, the propagation of errors to thrust calculation, mathematical model errors, the in-flight thrust error component, and correction to standard conditions. It is concluded that in-flight thrust measurement uncertainty limits can be evaluated from measurement system error analysis results and test data for the missile evaluation process presently described.

Adams, G. R.↗

A model of the 0.4-GHz scatterometer

The 0.4 GHz aircraft scatterometer system used for the agricultural soil moisture estimation program is analyzed for the antenna pattern, the signal flow in the receiver data channels, and the errors in the signal outputs. The operational principal, system sensitivity, data handling, and resolution cell length requirements are also described. The backscattering characteristics of the agriculture scenes are contained in the form of the functional dependence of the backscattering coefficient on the incidence angle. The substantial gains of the cross-polarization term of the horizontal and vertical antennas have profound effects on the cross-polarized backscattered signals. If these signals are not corrected properly, large errors could result in the estimate of the cross-polarized backscattering coefficient. It is also necessary to correct the variations of the aircraft parameters during data processing to minimize the error in the 0 degree estimation. Recommendations are made to improve the overall performance of the scatterometer system.

Wu, S. T.↗

Abundance recovery error analysis using simulated AVIRIS data

Measurement noise and imperfect atmospheric correction translate directly into errors in the determination of the surficial abundance of materials from imaging spectrometer data. The effects of errors on abundance recovery were investigated previously using Monte Carlo simulation methods by Sabol et. al. The drawback of the Monte Carlo approach is that thousands of trials are needed to develop good statistics on the probable error in abundance recovery. This computational burden invariably limits the number of scenarios of interest that can practically be investigated. A more efficient approach is based on covariance analysis. The covariance analysis approach expresses errors in abundance as a function of noise in the spectral measurements and provides a closed form result eliminating the need for multiple trials. Monte Carlo simulation and covariance analysis are used to predict confidence limits for abundance recovery for a scenario which is modeled as being derived from Airborne Visible/Infrared Imaging Spectrometer (AVIRIS).

Stoner, William W.↗

Turbulence effects in radio occultation studies of atmospheric scale heights

Atmospheric scale heights derived from radio occultation measurements of a turbulent planetary atmosphere would be accurate if the average angle of refraction through the turbulent atmosphere were equal to the refraction angle for the corresponding quiescent atmosphere. These two angles are not equal (although their difference may not be large enough to cause significant error). If necessary, it should be possible to correct for the systematic error introduced by this inequality by using measurements of signal spectra to determine characteristics of the turbulence. Sensitive dual-frequency measurements could help define the effects of turbulence in future radio occultation experiments. It does not appear that the angular offset due to turbulence has been important in past experiments, although it may become significant and require corrective analysis when improved equipment is used to probe deep into turbulent atmospheres with greater measurement precision.

Eshleman, V. R.↗

Tropospheric range-rate tracking data correction

A formula for correcting the tropospheric error in range-rate satellite tracking data is given. The formula is based on the method which was used to obtain corrections for elevation-angle and range data. In addition, an improved method is given for calculating some of the parameters required in the correction formulas.

Marini, J. W.↗

How important is correlation in the description of the Ni-H2O interaction

Using very large basis sets, which can accurately describe the polarizability of Ni and H2O and the dipole moment of H2O, the dipole-induced-dipole interaction is shown to be more than 50 percent of the about 4.8 kcal/mole bonding. Dispersion is found to account for the remainder of the bonding; this is significantly less than in previous estimates. The superposition error at the SCF level is essentially zero, and only 0.5 kcal/mole at the SDCI level, and the binding energy has been corrected for this error.

Bauschlicher, Charles W., Jr.↗

EAC: A program for the error analysis of STAGS results for plates

A computer code is now available for estimating the error in results from the STAGS finite element code for a shell unit consisting of a rectangular orthotropic plate. This memorandum contains basic information about the computer code EAC (Error Analysis and Correction) and describes the connection between the input data for the STAGS shell units and the input data necessary to run the error analysis code. The STAGS code returns a set of nodal displacements and a discrete set of stress resultants; the EAC code returns a continuous solution for displacements and stress resultants. The continuous solution is defined by a set of generalized coordinates computed in EAC. The theory and the assumptions that determine the continuous solution are also outlined in this memorandum. An example of application of the code is presented and instructions on its usage on the Cyber and the VAX machines have been provided.

Sistla, Rajaram↗

Correcting thermal-emission-induced detector saturation in infrared spectroscopy

We found that temperature-dependent infrared spectroscopy measurements (i.e., reflectance or transmittance) using a Fourier-transform spectrometer can have substantial errors, especially for elevated sample temperatures and collection using an objective lens. These errors can arise as a result of partial detector saturation due to thermal emission from the measured sample reaching the detector, resulting in nonphysical apparent reduction of reflectance or transmittance with increasing sample temperature. Here, we demonstrate that these temperature-dependent errors can be corrected by implementing several levels of optical attenuation that enable convergence testing of the measured reflectance or transmittance as the thermal-emission signal is reduced, or by applying correction factors that can be inferred by looking at the spectral regions where the sample is not expected to have a substantial temperature dependence.

47 OTHER INSTRUMENTATION↗

ALT space shuttle barometric altimeter altitude analysis

The accuracy was analyzed of the barometric altimeters onboard the space shuttle orbiter. Altitude estimates from the air data systems including the operational instrumentation and the developmental flight instrumentation were obtained for each of the approach and landing test flights. By comparing the barometric altitude estimates to altitudes derived from radar tracking data filtered through a Kalman filter and fully corrected for atmospheric refraction, the errors in the barometric altitudes were shown to be 4 to 5 percent of the Kalman altitudes. By comparing the altitude determined from the true atmosphere derived from weather balloon data to the altitude determined from the U.S. Standard Atmosphere of 1962, it was determined that the assumption of the Standard Atmosphere equations contributes roughly 75 percent of the total error in the baro estimates. After correcting the barometric altitude estimates using an average summer model atmosphere computed for the average latitude of the space shuttle landing sites, the residual error in the altitude estimates was reduced to less than 373 feet. This corresponds to an error of less than 1.5 percent for altitudes above 4000 feet for all flights.

Killen, R.↗

Machine Learning-Based Upscaling of Finite-Size Molecular Dynamics Diffusion Simulations for Binary Fluids

Molecular diffusion coefficients calculated using molecular dynamics (MD) simulations suffer from finite-size (i.e., finite box size and finite particle number) effects. Results from finite-sized MD simulations can be upscaled to infinite simulation size by applying a correction factor. For self-diffusion of single-component fluids, this correction has been well-studied by many researchers including Yeh and Hummer (YH); for binary fluid mixtures, a modified YH correction was recently proposed for correcting MD-predicted Maxwell–Stephan (MS) diffusion rates. In this study we use both empirical and machine learning methods to identify improvements to the finite-size correction factors for both self-diffusion and MS diffusion of binary Lennard-Jones (LJ) fluid mixtures. Using artificial neural networks (ANNs), the error in the corrected LJ fluid diffusion is reduced by an order of magnitude versus existing YH corrections, and the ANN models perform well for mixtures with large dissimilarities in size and interaction energies where the YH correction proves insufficient.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

SU-E-J-29: Automatic Image Registration Performance of Three IGRT Systems for Prostate Radiotherapy

Purpose: To compare the performance of an automatic image registration algorithm on image sets collected on three commercial image guidance systems, and explore its relationship with imaging parameters such as dose and sharpness. Methods: Images of a CIRS Virtually Human Male Pelvis phantom (VHMP) were collected on the CBCT systems of Varian TrueBeam/OBI and Elekta Synergy/XVI linear accelerators, across a range of mAs settings; and MVCT on a Tomotherapy Hi-ART accelerator with a range of pitch. Using the 6D correlation ratio algorithm of XVI, each image was registered to a mask of the prostate volume with a 5 mm expansion. Registrations were repeated 100 times, with random initial offsets introduced to simulate daily matching. Residual registration errors were calculated by correcting for the initial phantom set-up error. Automatic registration was also repeated after reconstructing images with different sharpness filters. Results: All three systems showed good registration performance, with residual translations <0.5mm (1σ) for typical clinical dose and reconstruction settings. Residual rotational error had larger range, with 0.8°, 1.2° and 1.9° for 1σ in XVI, OBI and Tomotherapy respectively. The registration accuracy of XVI images showed a strong dependence on imaging dose, particularly below 4mGy. No evidence of reduced performance was observed at the lowest dose settings for OBI and Tomotherapy, but these were above 4mGy. Registration failures (maximum target registration error > 3.6 mm on the surface of a 30mm sphere) occurred in 5% to 10% of registrations. Changing the sharpness of image reconstruction had no significant effect on registration performance. Conclusions: Using the present automatic image registration algorithm, all IGRT systems tested provided satisfactory registrations for clinical use, within a normal range of acquisition settings.

60 APPLIED LIFE SCIENCES↗

Erratum to: Data Fusion to Support Integrated Nuclear Detonation Detection [Slides]

The original document (LA-UR-22-29547) contained minor equation errors that approximate correct equations that couple the multi-sensor, serial system detector thresholds for a seismic Rayleigh wave detector and an acoustic energy detector. Those errors appeared on slides 62-67. This erratum associates the following slides with the erroneous slides. The numbers of the erroneous slides are marked at the upper right in small text in orange. A result of those errors over-predict the performance of the two-sensor serial network, that is, the former document provides an optimistic estimate of system performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗