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At least 73 records · Page 4

To have value, comparisons of high-throughput phenotyping methods need statistical tests of bias and variance

The gap between genomics and phenomics is narrowing. The rate at which it is narrowing, however, is being slowed by improper statistical comparison of methods. Quantification using Pearson’s correlation coefficient ( r ) is commonly used to assess method quality, but it is an often misleading statistic for this purpose as it is unable to provide information about the relative quality of two methods. Using r can both erroneously discount methods that are inherently more precise and validate methods that are less accurate. These errors occur because of logical flaws inherent in the use of r when comparing methods, not as a problem of limited sample size or the unavoidable possibility of a type I error. A popular alternative to using r is to measure the limits of agreement (LOA). However both r and LOA fail to identify which instrument is more or less variable than the other and can lead to incorrect conclusions about method quality. An alternative approach, comparing variances of methods, requires repeated measurements of the same subject, but avoids incorrect conclusions. Variance comparison is arguably the most important component of method validation and, thus, when repeated measurements are possible, variance comparison provides considerable value to these studies. Statistical tests to compare variances presented here are well established, easy to interpret and ubiquitously available. The widespread use of r has potentially led to numerous incorrect conclusions about method quality, hampering development, and the approach described here would be useful to advance high throughput phenotyping methods but can also extend into any branch of science. The adoption of the statistical techniques outlined in this paper will help speed the adoption of new high throughput phenotyping techniques by indicating when one should reject a new method, outright replace an old method or conditionally use a new method.

59 BASIC BIOLOGICAL SCIENCES↗

Inferring the Redshift of More than 150 GRBs with a Machine-learning Ensemble Model

Gamma-ray bursts (GRBs), due to their high luminosities, are detected up to a redshift of 10, and thus have the potential to be vital cosmological probes of early processes in the Universe. Fulfilling this potential requires a large sample of GRBs with known redshifts, but due to observational limitations, only 11% have known redshifts (z). There have been numerous attempts to estimate redshifts via correlation studies, most of which have led to inaccurate predictions. To overcome this, we estimated GRB redshift via an ensemble-supervised machine-learning (ML) model that uses X-ray afterglows of long-duration GRBs observed by the Neil Gehrels Swift Observatory. The estimated redshifts are strongly correlated (a Pearson coefficient of 0.93) and have an rms error, namely, the square root of the average squared error $\langle$Δz 2 $\rangle$, of 0.46 with the observed redshifts showing the reliability of this method. The addition of GRB afterglow parameters improves the predictions considerably by 63% compared to previous results in peer-reviewed literature. Finally, we use our ML model to infer the redshifts of 154 GRBs, which increase the known redshifts of long GRBs with plateaus by 94%, a significant milestone for enhancing GRB population studies that require large samples with redshift.

79 ASTRONOMY AND ASTROPHYSICS↗

Measurement report: The Fifth International Workshop on Ice Nucleation phase 1 (FIN-01): intercomparison of single-particle mass spectrometers

Knowledge of the chemical composition and mixing state of aerosols at a single-particle level is critical for gaining insights into atmospheric processes. One common tool to make these measurements is single-particle mass spectrometry. There remains a need to compare the performance of different single-particle mass spectrometers (SPMSs). An intercomparison of SPMSs was conducted at the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) chamber at the Karlsruhe Institute of Technology (KIT) in November 2014, as part of the first phase of the Fifth International Workshop on Ice Nucleation (FIN-01). In this paper we compare size distributions and mass spectra of atmospherically relevant particle types measured by five SPMSs. These include different minerals, desert and soil dusts, soot, bioaerosol (Snomax; protein granule), secondary organic aerosol (SOA), and SOA-coated mineral particles. Most SPMSs reported similar vacuum aerodynamic diameter (d va ) within typical instrumental ranges from ~100–200 nm (lower limit) to ~2–3 µm (upper limit). In general, all SPMSs exhibited a wide dynamic range (up to ~10 3 ) and high signal-to-noise ratio (up to ~10 4 ) in mass spectra. Common spectral features with small diversities in mass spectra were found with high average Pearson's correlation coefficients, i.e., for average positive spectra r avg-pos =0.74 ± 0.12 and average negative spectra r avg-neg =0.67 ± 0.22. We found that instrument-specific detection efficiency (DE) was more dependent on particle size than particle type, and particle identification favored the use of bipolar, rather than monopolar, instruments. Particle classification from “blind experiments” showed that all instruments differentiated SOA, soot, and soil dust and detected subtle changes in the particle internal mixing but had difficulties differentiating among specific mineral types and dusts. This study helps to further understand the capabilities and limitations of the single-particle mass spectrometry technique in general and the specific performance of the instrument in characterizing atmospheric aerosol particles.

54 ENVIRONMENTAL SCIENCES↗

Variations in chemical composition of Apollo 15 mare basalts

Chemical analyses of 30 different Apollo 15 mare basalts were examined to evaluate the effects of closure on the pearson moment correlation coefficient. It is shown possible to describe the Apollo 15 mare basalts in terms of an opaque, an olivine/pyroxene, an anorthite, and a KREEP component, if significant correlations are identified using the expected correlations as null values. Using Q-mode cluster analysis and nonlinear mapping, it is possible to recognize three groups of the mare basalts, groups 1 and 2 belonging to the olivine normative basalt cluster and group 3 to the quartz normative cluster.

Butler, J. C.↗

Comparison of manually produced and automated cross country movement maps using digital image processing techniques

The Image-Based Information System (IBIS) was used to automate the cross country movement (CCM) mapping model developed by the Defense Mapping Agency (DMA). Existing terrain factor overlays and a CCM map, produced by DMA for the Fort Lewis, Washington area, were digitized and reformatted into geometrically registered images. Terrain factor data from Slope, Soils, and Vegetation overlays were entered into IBIS, and were then combined utilizing IBIS-programmed equations to implement the DMA CCM model. The resulting IBIS-generated CCM map was then compared with the digitized manually produced map to test similarity. The numbers of pixels comprising each CCM region were compared between the two map images, and percent agreement between each two regional counts was computed. The mean percent agreement equalled 86.21%, with an areally weighted standard deviation of 11.11%. Calculation of Pearson's correlation coefficient yielded +9.997. In some cases, the IBIS-calculated map code differed from the DMA codes: analysis revealed that IBIS had calculated the codes correctly. These highly positive results demonstrate the power and accuracy of IBIS in automating models which synthesize a variety of thematic geographic data.

Wynn, L. K.↗

An extensometer for global measurement of bone strain suitable for use in vivo in humans

An axial extensometer able to measure global bone strain magnitudes and rates encountered during physiological activity, and suitable for use in vivo in human subjects, is described. The extensometer uses paired capacitive sensors mounted to intraosseus pins and allows measurement of strain due to bending in the plane of the extensometer as well as uniaxial compression or tension. Data are presented for validation of the device against a surface-mounted strain gage in an acrylic specimen under dynamic four-point bending, with square wave and sinusoidal loading inputs up to 1500 mu epsilon and 20 Hz, representative of physiological strain magnitudes and frequencies. Pearson's correlation coefficient (r) between extensometer and strain gage ranged from 0.960 to 0.999. Mean differences between extensometer and strain gage ranged up to 15.3 mu epsilon. Errors in the extensometer output were directly proportional to the degree of bending that occurs in the specimen, however, these errors were predictable and less than 1 mu epsilon for the loading regime studied. The device is capable of tracking strain rates in excess of 90,000 mu epsilon/s.

Non-NASA Center↗

Calibration Designs for Non-Monolithic Wind Tunnel Force Balances

This research paper investigates current experimental designs and regression models for calibrating internal wind tunnel force balances of non-monolithic design. Such calibration methods are necessary for this class of balance because it has an electrical response that is dependent upon the sign of the applied forces and moments. This dependency gives rise to discontinuities in the response surfaces that are not easily modeled using traditional response surface methodologies. An analysis of current recommended calibration models is shown to lead to correlated response model terms. Alternative modeling methods are explored which feature orthogonal or near-orthogonal terms.

Wind tunnel models↗

On the Nature of the mHz X-ray Quasi-Periodic Oscillations from Ultraluminous X-ray source M82 X−1: Search for Timing-Spectral Correlations

Using all the archival XMM-Newton X-ray (3-10 keV) observations of the ultraluminous X-ray source (ULX) M82 X−1, we searched for a correlation between its variable mHz quasi-periodic oscillation (QPO) frequency and its hardness ratio (5-10 keV/3-5 keV), an indicator of the energy spectral power-law index. When stellar-mass black holes (StMBHs) exhibit type-C low-frequency QPOs (∼0.2-15 Hz), the centroid frequency of the QPO is known to correlate with the energy spectral index. The detection of such a correlation would strengthen the identification of M82 X−1's mHz QPOs as type-C and enable a more reliable mass estimate by scaling its QPO frequencies to those of type-C QPOs in StMBHs of known mass.We resolved the count rates and the hardness ratios of M82 X−1 and a nearby bright ULX (source 5/X42.3+59) through surface brightness modeling.We detected QPOs in the frequency range of 36-210 mHz during which M82 X−1's hardness ratio varied from 0.42 to 0.47. Our primary results are (1) that we do not detect any correlation between the mHz QPO frequency and the hardness ratio (a substitute for the energy spectral power-law index) and (2) similar to some accreting X-ray binaries, we find that M82 X−1's mHz QPO frequency increases with its X-ray count rate (Pearson's correlation coefficient = +0.97). The apparent lack of a correlation between the QPO centroid frequency and the hardness ratio poses a challenge to the earlier claims that the mHz QPOs of M82 X−1 are the analogs of the type-C low-frequency QPOs of StMBHs. On the other hand, it is possible that the observed relation between the hardness ratio and the QPO frequency represents the saturated portion of the correlation seen in type-C QPOs of StMBHs-in which case M82 X−1's mHz QPOs can still be analogous to type-C QPOs.

Nature↗

Field Evaluation of Portable Soil Water Content Sensors in a Sandy Loam

Ground observations are critical in the validation of soil water content (SWC) estimates from both satellites and land surface models. Portable SWC sensors provide useful information to determine the amount of SWC in the topsoil layer for various applications; however, these probes are not accurate without site‐specific correction. In the present study, we examined and compared six different types of portable electromagnetic (EM) SWC sensors, including multiple sensors made by the same manufacturers, for a total of 16 EM‐based SWC probes equipped with portable data loggers. All SWC probes met the target accuracy after onsite correction—the RMSD was <0.025 m(exp 3) m(exp -3). Using the two‐sample t-tests, we observed that SWC data obtained from similar electrode lengths and from different manufacturers showed similar distributions over time with the same mean. Furthermore, using the maximize R method to combine SWC data from two different types of sensors increased the accuracy of the results. When datasets from two different types of sensors were combined, the Pearson's correlation coefficient (R value) and RMSD values were improved. The average R value improved from .930 to .945, and the RMSD decreased from 0.036 m(exp 3) m(exp -3) to 0.018 m(exp 3) m(exp −3). These results indicate that, along with site‐specific correction, synergetic use of multiple manufacturers’ EM‐based SWC probes can improve the R value and reduce systematic bias.

soil moisture data↗

Integrated Topographic Corrections Improve Forest Mapping Using Landsat Imagery

In mountainous environments, topography strongly affects the reflectance due to illumination effects and cast shadows, which introduce errors in land cover classifications. However, topographic correction is not routinely implemented in standard data pre-processing chains (e.g., Landsat Analysis Ready Data), and there is a lack of consensus whether topographic correction is necessary, and if so, how to conduct it. Furthermore, methods that correct simultaneously for atmospheric and topographic effects are becoming available, but they have not been compared directly. Our objects were to investigate (1) the effectiveness of two topographic correction approaches that integrate atmospheric and topographic correction, (2) improvements in classification accuracy when analyzing topographically corrected single-date imagery (14 July 2016 and 2 October 2016), versus a full Landsat time series from 2014 to 2016, and 3) improvements in classification accuracy when including additional terrain information (i.e., topographic slope, elevation, and aspect). We developed a physical based model and compared it with an enhanced C-correction, both of which integrate atmospheric and topographic correction. We compared classification accuracies with and without topographic correction using combinations of single-date imagery, image composites and spectral-temporal metrics generated from the full Landsat time series, and additional terrain information in the Caucasus Mountains. We found that both the enhanced C-correction and the physical model performed very well and largely eliminated the correlation (Pearson’s correlation coefficient r ranges from 0.06 to 0.24) between surface reflectance and illumination condition, but the physical model performed best (r ranges from 0.05 to 0.11). Both image composites, and spectral-temporal metrics generated from corrected imagery, resulted in significantly (p ≤ 0.05) higher classification accuracies and better forest classifications, especially for the mixed forests. Adding terrain information reduced classification error significantly, but not as much as topographic correction. In summary, topographic correction remains necessary, even when analyzing a full Landsat time series and including a digital elevation model in the classification. We recommend that topographic correction should be applied when analyzing Landsat satellite imagery in mountainous region for forest cover classification.

Atmospheric correction↗

Analysis of Correlation between Cold Weather Meteorological Variables and Electricity Outages

The significance of the impact of weather on the electric grid has grown as climate change continues to increase the frequency and intensity of extreme weather events. In recent years (2021-2022) in particular, extreme winter weather has affected the grid in locations in the US rarely exposed to extreme low temperatures, snow and icing conditions. Here we analyze the correlation between cold weather meteorological variables and electricity outages during two large winter storm events, Uri (February 2021) and Landon (February 2022) using Random Forest machine learning and Pearson’s correlation coefficient. Our geographical focus across the two storms is the state of Texas. Extrapolation of the method to winter weather impacts over other years and additional locations is proposed.

Dumas, Melissa↗

Closure and ratio correlation analysis of lunar chemical and grain size data

Major element and major element plus trace element analyses were selected from the lunar data base for Apollo 11, 12 and 15 basalt and regolith samples. Summary statistics for each of the six data sets were compiled, and the effects of closure on the Pearson product moment correlation coefficient were investigated using the Chayes and Kruskal approximation procedure. In general, there are two types of closure effects evident in these data sets: negative correlations of intermediate size which are solely the result of closure, and correlations of small absolute value which depart significantly from their expected closure correlations which are of intermediate size. It is shown that a positive closure correlation will arise only when the product of the coefficients of variation is very small (less than 0.01 for most data sets) and, in general, trace elements in the lunar data sets exhibit relatively large coefficients of variation.

Butler, J. C.↗

Estimation of Lower-Body Kinetics from Loading Profile and Kinematics Alone, Without Measured Ground Reaction Forces

Biomechanical models of human motion can estimate kinetic outcomes, such as joint moments, joint forces and muscle forces. Typically, one performs an inverse dynamics (ID) analysis to compute joint moments from joint angles and measured external forces. Sometimes it is impractical to measure ground reaction forces and moments (GRF&M). We devised an empirical method for performing ID analysis of resistance exercises without measured GRF&M. The method solves the multibody dynamics equations of motion with four key assumptions about the GRF&M that reduce the number of unknowns. The assumptions are 1) negligible ground reaction moments, 2) fixed lateral/medial location of the center of pressure (COP), 3) equal fore/aft location of the COP between the feet, and 4) constant angle of the GRF vector relative to the vertical axis in the frontal plane. We used evaluation trials from a spaceflight countermeasure resistance training device to test this approach. Four participants performed squat and deadlift exercises at various loads. We compared results from traditional ID analysis to results without measured GRF&M using our method. We found that joint moment trajectories in the sagittal plane were qualitatively similar in shape between the two methods, and the amount of root mean squared error (RMSE), measured by difference in joint moment impulse, was typically under 10 percent. Non-sagittal joint moment trajectories, which are much lower in overall magnitude, were not qualitatively similar in shape between the two methods. Non-sagittal moments displayed much higher RMSE, with typical values well over 50 percent. These findings were further supported by validation metrics (Sprague and Geers' P and M metrics, Pearson's r correlation coefficient). Based on these findings, we concluded that useful kinetic results are obtained from ID analysis of squat and deadlift exercises, even when GRF&M are not measured, as long as the outcomes of interest lie in the sagittal plane.

computational modeling↗

In situ investigation of high-pressure hydrogen-induced swelling in elastomers and its correlation with material properties

The resistance of elastomeric materials to high-pressure hydrogen-induced damage is essential for ensuring the reliability of hydrogen infrastructure. Here, in this study, we systematically investigated the swelling behavior and hydrogen transport properties of four elastomer types – EPDM, NBR, FKM, and HNBR – using a custom in-situ view cell system capable of real-time monitoring during decompression from pressures up to 96.5 MPa. Each elastomer was formulated with and without fillers and plasticizers to assess the effects of formulation on swelling response. Thermal desorption analysis (TDA) was employed to determine equilibrium hydrogen content and diffusion coefficients, providing insight into gas uptake and mobility within each material. Correlation analyses using Pearson and Spearman coefficients revealed that the diffusion coefficient showed a stronger relationship with swelling behavior than hydrogen content, highlighting the dominant role of hydrogen mobility. Filled elastomers, particularly those with carbon black, consistently showed reduced swelling due to enhanced stiffness and reduced diffusivity. These results deepen our understanding of diffuso-mechanical interactions in elastomers and support the rational design of sealing materials for high-pressure hydrogen systems.

EPDM↗

Marine Boundary Layer Cloud Property Retrievals from High-Resolution ASTER Observations: Case Studies and Comparison with Terra MODIS

A research-level retrieval algorithm for cloud optical and microphysical properties is developed for the Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) aboard the Terra satellite. It is based on the operational MODIS algorithm. This paper documents the technical details of this algorithm and evaluates the retrievals for selected marine boundary layer cloud scenes through comparisons with the operational MODIS Data Collection 6 (C6) cloud product. The newly developed, ASTERspecific cloud masking algorithm is evaluated through comparison with an independent algorithm reported in Zhao and Di Girolamo (2006). To validate and evaluate the cloud optical thickness (tau) and cloud effective radius (r(sub eff)) from ASTER, the high-spatial-resolution ASTER observations are first aggregated to the same 1000m resolution as MODIS. Subsequently, tau(sub aA) and r(sub eff, aA) retrieved from the aggregated ASTER radiances are compared with the collocated MODIS retrievals. For overcast pixels, the two data sets agree very well with Pearson's product-moment correlation coefficients of R greater than 0.970. However, for partially cloudy pixels there are significant differences between r(sub eff, aA) and the MODIS results which can exceed 10 micrometers. Moreover, it is shown that the numerous delicate cloud structures in the example marine boundary layer scenes, resolved by the high-resolution ASTER retrievals, are smoothed by the MODIS observations. The overall good agreement between the research-level ASTER results and the operational MODIS C6 products proves the feasibility of MODIS-like retrievals from ASTER reflectance measurements and provides the basis for future studies concerning the scale dependency of satellite observations and three-dimensional radiative effects.

marine boundary layer↗

Alchemical Free Energy Estimators and Molecular Dynamics Engines: Accuracy, Precision, and Reproducibility

The binding free energy between a ligand and its target protein is an essential quantity to know at all stages of the drug discovery pipeline. Assessing this value computationally can offer insight into where efforts should be focused in the pursuit of effective therapeutics to treat a myriad of diseases. In this work, we examine the computation of alchemical relative binding free energies with an eye for assessing reproducibility across popular molecular dynamics packages and free energy estimators. The focus of this work is on 54 ligand transformations from a diverse set of protein targets: MCL1, PTP1B, TYK2, CDK2, and thrombin. These targets are studied with three popular molecular dynamics packages: OpenMM, NAMD2, and NAMD3 alpha. Trajectories collected with these packages are used to compare relative binding free energies calculated with thermodynamic integration and free energy perturbation methods. The resulting binding free energies show good agreement between molecular dynamics packages with an average mean unsigned error between them of 0.50 kcal/mol. The correlation between packages is very good, with the lowest Spearman’s, Pearson’s and Kendall’s tau correlation coefficients being 0.92, 0.91, and 0.76, respectively. Agreement between thermodynamic integration and free energy perturbation is shown to be very good when using ensemble averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vertical Jump Height is more Strongly Associated with Velocity and Work Performed Prior to Take-off

Vertical jump (VJ) height is commonly used as a measure of athletic capability in strength and power sports. Although VJ has been shown to be a predictor of athletic performance, it is not clear which kinetic ground reaction force (GRF) variables, such as peak force (PF), peak power (PP), peak velocity (PV), total work (TW) or impulse (Imp) are the best correlates. To determine which kinetic variables (PF, PP, PV, TW, and Imp) best correlate with VJ height. Twenty subjects (14 males, 6 females) performed three maximal countermovement VJs on a force platform (Advanced Mechanical Technology, Inc., Watertown, MA, USA). VJ jump height was calculated as the difference between standing reach and the highest reach point measured using a Vertec. PF, PP, PV, TW, and Imp were calculated using the vertical GRF data sampled at 1000 Hz from the lowest point in the countermovement through the concentric portion until take-off. GRF data were normalized to body mass measured using a standard scale (Detecto, Webb City, MO, USA). Correlation coefficients were computed between each GRF variable and VJ height using a Pearson correlation. VJ height (43.4 plus or minus 9.1 cm) was significantly correlated (p less than 0.001) with PF (998 plus or minus 321 N; r=0.51), PP (1997 plus or minus 772 W; r=0.69), PV (2.66 plus or minus 0.40 m (raised dot) s(sup -1); r=0.85), TW (259 plus or minus 93.0 kJ; r=0.82), and Imp (204 plus or minus 51.1 N(raised dot)s; r=0.67). Although all variables were correlated to VJ height, PV and TW were more strongly correlated to VJ height than PF, PP, and Imp. Therefore, since TW is equal to force times displacement, the relative displacement of the center of mass along with the forces applied during the upward movement of the jump are critical determinants of VJ height. PV and TW are key determinants of VJ height, and therefore successful training programs to increase VJ height should focus on rapid movement (PV) and TW by increasing power over time rather than focusing on PF alone.

Bentley, J. R.↗

Improved quality metrics for association and reproducibility in chromatin accessibility data using mutual information

Correlation metrics are widely utilized in genomics analysis and often implemented with little regard to assumptions of normality, homoscedasticity, and independence of values. This is especially true when comparing values between replicated sequencing experiments that probe chromatin accessibility, such as assays for transposase-accessible chromatin via sequencing (ATAC-seq). Such data can possess several regions across the human genome with little to no sequencing depth and are thus non-normal with a large portion of zero values. Despite distributed use in the epigenomics field, few studies have evaluated and benchmarked how correlation and association statistics behave across ATAC-seq experiments with known differences or the effects of removing specific outliers from the data. Here, we developed a computational simulation of ATAC-seq data to elucidate the behavior of correlation statistics and to compare their accuracy under set conditions of reproducibility. Using these simulations, we monitored the behavior of several correlation statistics, including the Pearson’s R and Spearman’s ρ coefficients as well as Kendall’s τ and Top–Down correlation. We also test the behavior of association measures, including the coefficient of determination R 2 , Kendall’s W, and normalized mutual information. Our experiments reveal an insensitivity of most statistics, including Spear man’s ρ, Kendall’s τ, and Kendall’s W, to increasing differences between simulated ATAC-seq replicates. The removal of co-zeros (regions lacking mapped sequenced reads) between simulated experiments greatly improves the estimates of correlation and association. After removing co-zeros, the R 2 coefficient and normalized mutual information display the best performance, having a closer one-to-one relationship with the known portion of shared, enhanced loci between simulated replicates. When comparing values between experimental ATAC-seq data using a random forest model, mutual information best predicts ATAC-seq replicate relationships. Collectively, this study demonstrates how measures of correlation and association can behave in epigenomics experiments. We provide improved strategies for quantifying relationships in these increasingly prevalent and important chromatin accessibility assays.

59 BASIC BIOLOGICAL SCIENCES↗