A look-ahead Monte Carlo simulation method for improving parental selection in trait introgression.
Ontology highlight
ABSTRACT:
SUBMITTER: Moeinizade S
PROVIDER: S-EPMC7887201 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Publications
A look-ahead Monte Carlo simulation method for improving parental selection in trait introgression.
Moeinizade Saba S Han Ye Y Pham Hieu H Hu Guiping G Wang Lizhi L
Scientific reports 20210216 1
Multiple trait introgression is the process by which multiple desirable traits are converted from a donor to a recipient cultivar through backcrossing and selfing. The goal of this procedure is to recover all the attributes of the recipient cultivar, with the addition of the specified desirable traits. A crucial step in this process is the selection of parents to form new crosses. In this study, we propose a new selection approach that estimates the genetic distribution of the progeny of backcro ...[more]
Similar Datasets
Project description:Predicting the usefulness of crosses in terms of expected genetic gain and genetic diversity is of interest to secure performance in the progeny and to maintain long-term genetic gain in plant breeding. A wide range of crossing schemes are possible including large biparental crosses, backcrosses, four-way crosses, and synthetic populations. In silico progeny simulations together with genome-based prediction of quantitative traits can be used to guide mating decisions. However, the large number of multi-parental combinations can hinder the use of simulations in practice. Analytical solutions have been proposed recently to predict the distribution of a quantitative trait in the progeny of biparental crosses using information of recombination frequency and linkage disequilibrium between loci. Here, we extend this approach to obtain the progeny distribution of more complex crosses including two to four parents. Considering agronomic traits and parental genome contribution as jointly multivariate normally distributed traits, the usefulness criterion parental contribution (UCPC) enables to (i) evaluate the expected genetic gain for agronomic traits, and at the same time (ii) evaluate parental genome contributions to the selected fraction of progeny. We validate and illustrate UCPC in the context of multiple allele introgression from a donor into one or several elite recipients in maize (Zea mays L.). Recommendations regarding the interest of two-way, three-way, and backcrosses were derived depending on the donor performance. We believe that the computationally efficient UCPC approach can be useful for mate selection and allocation in many plant and animal breeding contexts.
| S-EPMC6505154 | biostudies-other
Project description:This simulation study assessed the statistical performance of a skew t mixture latent state-trait (LST) model for the analysis of longitudinal data. The model aims to identify interpretable latent classes with class-specific LST model parameters. A skew t-distribution within classes is allowed to account for non-normal outcomes. This flexible function covers heavy tails and may reduce the risk of identifying spurious classes, e.g., in case of outliers. Sample size, number of occasions and skewness of the trait variable were varied. Generally, parameter estimation accuracy increases with increasing numbers of observations and occasions. Larger bias compared to other parameters occurs for parameters referring to the skew t-distribution and variances of the latent trait variables. Standard error estimation accuracy shows diffuse patterns across conditions and parameters. Overall model performance is acceptable for large conditions, even though none of the models is free from bias. The application of the skew t mixture model in case of large numbers of occasions and observations may be possible, but results should be treated with caution. Moreover, the skew t approach may be useful for other mixture models.
| S-EPMC6083219 | biostudies-literature
Project description:Conventional mammography can suffer from poor contrast between healthy and cancerous tissues due to the small difference in attenuation properties. Coherent scatter slot scan imaging is an imaging technique which provides additional information and is compatible with conventional mammography. A Monte Carlo simulation of coherent scatter slot scan imaging was performed to assess its performance and provide system optimization. Coherent scatter could be exploited using a system similar to conventional slot scan mammography system with antiscatter grids tilted at the characteristic angle of cancerous tissues. System optimization was performed across several parameters, including source voltage, tilt angle, grid distances, grid ratio, and shielding geometry. The simulated carcinomas were detectable for tumors as small as 5 mm in diameter, so coherent scatter analysis using a wide-slot setup could be promising as an enhancement for screening mammography. Employing coherent scatter information simultaneously with conventional mammography could yield a conventional high spatial resolution image with additional coherent scatter information.
| S-EPMC4999523 | biostudies-other
Project description:Monte Carlo simulation (MCS) is a computational technique widely used in exposure and risk assessment. However, the result of traditional health risk assessment based on the MCS method has always been questioned due to the uncertainty introduced in parameter estimation and the difficulty in result validation. Herein, data from a large-scale investigation of individual polycyclic aromatic hydrocarbon (PAH) exposure was used to explore the key factors for improving the MCS method. Research participants were selected using a statistical sampling method in a typical PAH polluted city. Atmospheric PAH concentrations from 25 sampling sites in the area were detected by GC-MS and exposure parameters of participants were collected by field measurement. The incremental lifetime cancer risk (ILCR) of participants was calculated based on the measured data and considered to be the actual carcinogenic risk of the population. Predicted risks were evaluated by traditional assessment method based on MCS and three improved models including concentration-adjusted, age-stratified, and correlated-parameter-adjusted Monte Carlo methods. The goodness of fit of the models was evaluated quantitatively by comparing with the actual risk. The results showed that the average risk derived by traditional and age-stratified Monte Carlo simulation was 2.6 times higher, and the standard deviation was 3.7 times higher than the actual values. In contrast, the predicted risks of concentration- and correlated-parameter-adjusted models were in good agreement with the actual ILCR. The results of the comparison suggested that accurate simulation of exposure concentration and adjustment of correlated parameters could greatly improve the MCS. The research also reveals that the social factors related to exposure and potential relationship between variables are important issues affecting risk assessment, which require full consideration in assessment and further study in future research.
| S-EPMC8583189 | biostudies-literature
Project description:MotivationGraphical lasso (Glasso) is a widely used tool for identifying gene regulatory networks in systems biology. However, its computational efficiency depends on the choice of regularization parameter (tuning parameter), and selecting this parameter can be highly time consuming. Although fully Bayesian implementations of Glasso alleviate this problem somewhat by specifying a priori distribution for the parameter, these approaches lack the scalability of their frequentist counterparts.ResultsHere, we present a new Monte Carlo Penalty Selection method (MCPeSe), a computationally efficient approach to regularization parameter selection for Glasso. MCPeSe combines the scalability and low computational cost of the frequentist Glasso with the ability to automatically choose the regularization by Bayesian Glasso modeling. MCPeSe provides a state-of-the-art 'tuning-free' model selection criterion for Glasso and allows exploration of the posterior probability distribution of the tuning parameter.Availability and implementationR source code of MCPeSe, a step by step example showing how to apply MCPeSe and a collection of scripts used to prepare the material in this article are publicly available at GitHub under GPL (https://github.com/markkukuismin/MCPeSe/).Supplementary informationSupplementary data are available at Bioinformatics online.
| S-EPMC8097680 | biostudies-literature
Project description:Traditional multiple-group confirmatory factor analysis (multiple-group CFA) is usually criticized for having too restrictive model assumption, namely the scalar measurement invariance. The new multiple-group analysis methodology, alignment, has become an effective alternative. The alignment evaluates measurement invariance and more importantly, permits factor mean comparisons without requiring scalar invariance which is usually required in traditional multiple-group CFA. Some simulation studies and empirical studies have investigated the applicability of alignment under different conditions, but some areas remain unexplored. Based on the simulation studies of Asparouhov and Muthén and of Flake and McCoach, this current simulation study is broken into two sections. The first study investigates the minimal group sizes required for alignment in three-factor models. The second study compares the performance of multiple-group CFA, multiple-group exploratory structural equation model (multiple-group ESEM), and alignment by including different proportions and magnitudes of cross-loadings in the models. Study 1 shows that when the model has no noninvariant parameters, the alignment requires relatively lower group sizes. Explicitly, the minimal group size required for alignment was 250 when the amount of groups was three, the minimal group size was 150 when the amount of groups was nine, and 200 when the amount of groups was 15. When there are noninvariant parameters in the model and the amount of groups is low, a group size of 350 is a safe rule of thumb. When there are noninvariant parameters in the model and the amount of groups is high, a group size of 250 is required for trustworthy results. The magnitude of noninvariance and the noninvariance rate do not affect the minimal group size required for alignment. Study 2 shows that multiple-group CFA provides accurate factor mean estimates when each factor had 20% factor loading (1 factor loading) with small-sized cross-loading. Multiple-group ESEM provides accurate factor mean estimates when the magnitude of cross-loading is small or when each factor had 20% factor loading (1 factor loading) with medium-sized cross-loading. Alignment provides accurate factor mean estimates when there are only small-sized cross-loadings in the model. The parameter estimates, coverage rates and ratios of average standard error to standard deviation for each methodology are not influenced by the amount of groups. Recommendations are concluded for using multiple-group CFA, multiple-group ESEM, traditional alignment and aligned ESEM (AESEM) based on the results. Multiple-group CFA is more suitable for use when scalar invariance is established. Multiple-group ESEM works best when there are small-sized or only a few medium-sized cross-loadings in the model. Traditional alignment allows for small-sized cross-loadings and a few noninvariant parameters in the model. AESEM integrates the advantages of alignment and ESEM, can provide accurate estimates when noninvariant parameters and cross-loadings both exist in the model. Compared to multiple-group CFA, multiple-group ESEM, the alignment methodology performs well in more situations.
| S-EPMC9263979 | biostudies-literature
Project description:A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys. 2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD-MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD-MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems.
| S-EPMC4535364 | biostudies-literature
Project description:BACKGROUND: In the biological sciences the TCID50 (median tissue culture infective dose) assay is often used to determine the strength of a virus. METHODS: When the so-called Spearman-Kaerber calculation is used, the ratio between the pfu (the number of plaque forming units, the effective number of virus particles) and the TCID50, theoretically approaches a simple function of Eulers constant. Further, the standard deviation of the logarithm of the TCID50 approaches a simple function of the dilution factor and the number of wells used for determining the ratios in the assay. However, these theoretical calculations assume that the dilutions of the assay are independent, and in practice this is not completely correct. The assay was simulated using Monte Carlo techniques. RESULTS: Our simulation studies show that the theoretical results actually hold true for practical implementations of the assay. Furthermore, the simulation studies show that the distribution of the (the log of) TCID50, although discrete in nature, has a close relationship to the normal distribution. CONCLUSION: The pfu is proportional to the TCID50 titre with a factor of about 0.56 when using the Spearman-Kaerber calculation method. The normal distribution can be used for statistical inferences and ANOVA on the (the log of) TCID50 values is meaningful with group sizes of 5 and above.
| S-EPMC3331834 | biostudies-other
Project description:Performance optimization of indirect x-ray detectors requires proper characterization of both ionizing (gamma) and optical photon transport in a heterogeneous medium. As the tool of choice for modeling detector physics, Monte Carlo methods have failed to gain traction as a design utility, due mostly to excessive simulation times and a lack of convenient simulation packages. The most important figure-of-merit in assessing detector performance is the detective quantum efficiency (DQE), for which most of the computational burden has traditionally been associated with the determination of the noise power spectrum (NPS) from an ensemble of flood images, each conventionally having 10(7) - 10(9) detected gamma photons. In this work, the authors show that the idealized conditions inherent in a numerical simulation allow for a dramatic reduction in the number of gamma and optical photons required to accurately predict the NPS.The authors derived an expression for the mean squared error (MSE) of a simulated NPS when computed using the International Electrotechnical Commission-recommended technique based on taking the 2D Fourier transform of flood images. It is shown that the MSE is inversely proportional to the number of flood images, and is independent of the input fluence provided that the input fluence is above a minimal value that avoids biasing the estimate. The authors then propose to further lower the input fluence so that each event creates a point-spread function rather than a flood field. The authors use this finding as the foundation for a novel algorithm in which the characteristic MTF(f), NPS(f), and DQE(f) curves are simultaneously generated from the results of a single run. The authors also investigate lowering the number of optical photons used in a scintillator simulation to further increase efficiency. Simulation results are compared with measurements performed on a Varian AS1000 portal imager, and with a previously published simulation performed using clinical fluence levels.On the order of only 10-100 gamma photons per flood image were required to be detected to avoid biasing the NPS estimate. This allowed for a factor of 10(7) reduction in fluence compared to clinical levels with no loss of accuracy. An optimal signal-to-noise ratio (SNR) was achieved by increasing the number of flood images from a typical value of 100 up to 500, thereby illustrating the importance of flood image quantity over the number of gammas per flood. For the point-spread ensemble technique, an additional 2× reduction in the number of incident gammas was realized. As a result, when modeling gamma transport in a thick pixelated array, the simulation time was reduced from 2.5 × 10(6) CPU min if using clinical fluence levels to 3.1 CPU min if using optimized fluence levels while also producing a higher SNR. The AS1000 DQE(f) simulation entailing both optical and radiative transport matched experimental results to within 11%, and required 14.5 min to complete on a single CPU.The authors demonstrate the feasibility of accurately modeling x-ray detector DQE(f) with completion times on the order of several minutes using a single CPU. Convenience of simulation can be achieved using GEANT4 which offers both gamma and optical photon transport capabilities.
| S-EPMC3978362 | biostudies-other
Project description:Two new statistical models based on Monte Carlo Simulation (MCS) have been developed to score peptide matches in shotgun proteomic data and incorporated in a database search program, MassMatrix (www.massmatrix.net). The first model evaluates peptide matches based on the total abundance of matched peaks in the experimental spectra. The second model evaluates amino acid residue tags within MS/MS spectra. The two models provide complementary scores for peptide matches that result in higher confidence in peptide identification when significant scores are returned from both models. The MCS-based models use a variance reduction technique that improves estimation precision. Due to the high computational expense of MCS-based models, peptide matches were prefiltered by other statistical models before further evaluation by the MCS-based models. Receiver operating characteristic analysis of the data sets confirmed that MCS-based models improved the overall performance of the MassMatrix search software, especially for low-mass accuracy data sets.
| S-EPMC2749500 | biostudies-literature