scholarly journals Parallel power posterior analyses for fast computation of marginal likelihoods in phylogenetics

2017 ◽  
Author(s):  
Sebastian Höhna ◽  
Michael J. Landis ◽  
John P. Huelsenbeck
Keyword(s):  
Marginal Likelihood ◽  
Substantial Reduction ◽  
Likelihood Estimation ◽  
Supplementary Information ◽  
Marginal Likelihoods ◽  
Parallelization Strategy ◽  
Sampling Algorithms ◽  
Supplementary Material ◽  
Primary Focus ◽  
Bayesian Phylogenetic Inference

AbstractMotivationIn Bayesian phylogenetic inference, marginal likelihoods are estimated using either the path-sampling or stepping-stone-sampling algorithms. Both algorithms are computationally demanding because they require a series of power posterior Markov chain Monte Carlo (MCMC) simulations. Here we introduce a general parallelization strategy that distributes the power posterior MCMC simulations and the likelihood computations over available CPUs. Our parallelization strategy can easily be applied to any statistical model despite our primary focus on molecular substitution models in this study.ResultsUsing two phylogenetic example datasets, we demonstrate that the runtime of the marginal likelihood estimation can be reduced significantly even if only two CPUs are available (an average performance increase of 1.96x). The performance increase is nearly linear with the number of available CPUs. We record a performance increase of 11.4x for cluster nodes with 16 CPUs, representing a substantial reduction to the runtime of marginal likelihood estimations. Hence, our parallelization strategy enables the estimation of marginal likelihoods to complete in a feasible amount of time which previously needed days, weeks or even months.AvailabilityThe methods described here are implemented in our open-source software RevBayes which is available from http://[email protected] informationSupplementary data are available at Bioinformatics online.

scholarly journals Parallel power posterior analyses for fast computation of marginal likelihoods in phylogenetics

PeerJ ◽  
2021 ◽  
Vol 9 ◽  
pp. e12438
Author(s):  
Sebastian Höhna ◽  
Michael J. Landis ◽  
John P. Huelsenbeck
Keyword(s):  
Open Source Software ◽  
Marginal Likelihood ◽  
Substantial Reduction ◽  
Likelihood Estimation ◽  
Marginal Likelihoods ◽  
Parallelization Strategy ◽  
Sampling Algorithms ◽  
Primary Focus ◽  
Bayesian Phylogenetic Inference ◽  
Marginal Likelihood Estimation

In Bayesian phylogenetic inference, marginal likelihoods can be estimated using several different methods, including the path-sampling or stepping-stone-sampling algorithms. Both algorithms are computationally demanding because they require a series of power posterior Markov chain Monte Carlo (MCMC) simulations. Here we introduce a general parallelization strategy that distributes the power posterior MCMC simulations and the likelihood computations over available CPUs. Our parallelization strategy can easily be applied to any statistical model despite our primary focus on molecular substitution models in this study. Using two phylogenetic example datasets, we demonstrate that the runtime of the marginal likelihood estimation can be reduced significantly even if only two CPUs are available (an average performance increase of 1.96x). The performance increase is nearly linear with the number of available CPUs. We record a performance increase of 13.3x for cluster nodes with 16 CPUs, representing a substantial reduction to the runtime of marginal likelihood estimations. Hence, our parallelization strategy enables the estimation of marginal likelihoods to complete in a feasible amount of time which previously needed days, weeks or even months. The methods described here are implemented in our open-source software RevBayes which is available from http://www.RevBayes.com.

scholarly journals Estimating marginal likelihoods from the posterior draws through a geometric identity

2020 ◽  
Vol 26 (3) ◽  
pp. 205-221
Author(s):  
Johannes Reichl
Keyword(s):  
Bayesian Modeling ◽  
Marginal Likelihood ◽  
Likelihood Estimation ◽  
Simple Approach ◽  
High Dimensional ◽  
Marginal Likelihoods ◽  
Random Intercept ◽  
Low Dimensional ◽  
Excellent Stability ◽  
Marginal Likelihood Estimation

AbstractThis article develops a new estimator of the marginal likelihood that requires only a sample of the posterior distribution as the input from the analyst. This sample may come from any sampling scheme, such as Gibbs sampling or Metropolis–Hastings sampling. The presented approach can be implemented generically in almost any application of Bayesian modeling and significantly decreases the computational burdens associated with marginal likelihood estimation compared to existing techniques. The functionality of this method is demonstrated in the context of probit and logit regressions, on two mixtures of normals models, and also on a high-dimensional random intercept probit. Simulation results show that the simple approach presented here achieves excellent stability in low-dimensional models, and also clearly outperforms existing methods when the number of coefficients in the model increases.

scholarly journals An Annealed Sequential Monte Carlo Method for Bayesian Phylogenetics

2019 ◽  
Vol 69 (1) ◽  
pp. 155-183 ◽  
Author(s):  
Liangliang Wang ◽  
Shijia Wang ◽  
Alexandre Bouchard-Côté
Keyword(s):  
Monte Carlo ◽  
Sequential Monte Carlo ◽  
Marginal Likelihood ◽  
Likelihood Estimation ◽  
Real Data ◽  
Simulation Software ◽  
Estimation Methods ◽  
Sequential Monte Carlo Method ◽  
Mcmc Algorithms ◽  
Bayesian Phylogenetic Inference

Abstract We describe an “embarrassingly parallel” method for Bayesian phylogenetic inference, annealed Sequential Monte Carlo (SMC), based on recent advances in the SMC literature such as adaptive determination of annealing parameters. The algorithm provides an approximate posterior distribution over trees and evolutionary parameters as well as an unbiased estimator for the marginal likelihood. This unbiasedness property can be used for the purpose of testing the correctness of posterior simulation software. We evaluate the performance of phylogenetic annealed SMC by reviewing and comparing with other computational Bayesian phylogenetic methods, in particular, different marginal likelihood estimation methods. Unlike previous SMC methods in phylogenetics, our annealed method can utilize standard Markov chain Monte Carlo (MCMC) tree moves and hence benefit from the large inventory of such moves available in the literature. Consequently, the annealed SMC method should be relatively easy to incorporate into existing phylogenetic software packages based on MCMC algorithms. We illustrate our method using simulation studies and real data analysis.

scholarly journals Markov-Modulated Continuous-Time Markov Chains to Identify Site- and Branch-Specific Evolutionary Variation in BEAST

2020 ◽  
Vol 70 (1) ◽  
pp. 181-189
Author(s):  
Guy Baele ◽  
Mandev S Gill ◽  
Paul Bastide ◽  
Philippe Lemey ◽  
Marc A Suchard
Keyword(s):  
High Performance ◽  
Markov Models ◽  
Marginal Likelihood ◽  
Likelihood Estimation ◽  
Phylogenetic Inference ◽  
Time Variability ◽  
Substitution Process ◽  
Wide Range ◽  
Markov Modulated ◽  
Over Time

Abstract Markov models of character substitution on phylogenies form the foundation of phylogenetic inference frameworks. Early models made the simplifying assumption that the substitution process is homogeneous over time and across sites in the molecular sequence alignment. While standard practice adopts extensions that accommodate heterogeneity of substitution rates across sites, heterogeneity in the process over time in a site-specific manner remains frequently overlooked. This is problematic, as evolutionary processes that act at the molecular level are highly variable, subjecting different sites to different selective constraints over time, impacting their substitution behavior. We propose incorporating time variability through Markov-modulated models (MMMs), which extend covarion-like models and allow the substitution process (including relative character exchange rates as well as the overall substitution rate) at individual sites to vary across lineages. We implement a general MMM framework in BEAST, a popular Bayesian phylogenetic inference software package, allowing researchers to compose a wide range of MMMs through flexible XML specification. Using examples from bacterial, viral, and plastid genome evolution, we show that MMMs impact phylogenetic tree estimation and can substantially improve model fit compared to standard substitution models. Through simulations, we show that marginal likelihood estimation accurately identifies the generative model and does not systematically prefer the more parameter-rich MMMs. To mitigate the increased computational demands associated with MMMs, our implementation exploits recent developments in BEAGLE, a high-performance computational library for phylogenetic inference. [Bayesian inference; BEAGLE; BEAST; covarion, heterotachy; Markov-modulated models; phylogenetics.]

scholarly journals PathScore: a web tool for identifying altered pathways in cancer data

2016 ◽  
Author(s):  
Stephen G. Gaffney ◽  
Jeffrey P. Townsend
Keyword(s):  
Web Application ◽  
Somatic Mutations ◽  
Supplementary Information ◽  
Web Tool ◽  
Cancer Data ◽  
Link Type ◽  
Novel Approach ◽  
Supplementary Material ◽  
User Friendly ◽  
Pathway Effect

ABSTRACTSummaryPathScore quantifies the level of enrichment of somatic mutations within curated pathways, applying a novel approach that identifies pathways enriched across patients. The application provides several user-friendly, interactive graphic interfaces for data exploration, including tools for comparing pathway effect sizes, significance, gene-set overlap and enrichment differences between projects.Availability and ImplementationWeb application available at pathscore.publichealth.yale.edu. Site implemented in Python and MySQL, with all major browsers supported. Source code available at github.com/sggaffney/pathscore with a GPLv3 [email protected] InformationAdditional documentation can be found at http://pathscore.publichealth.yale.edu/faq.

Palaeolatitudinal distribution of the Ediacaran macrobiota

2021 ◽  
pp. jgs2021-030
Author(s):  
Catherine E. Boddy ◽  
Emily G. Mitchell ◽  
Andrew Merdith ◽  
Alexander G. Liu
Keyword(s):  
Taxonomic Composition ◽  
Supplementary Information ◽  
Cambrian Explosion ◽  
Content Type ◽  
Link Type ◽  
Environmental Perturbations ◽  
Significant Difference ◽  
Evolutionary Trajectories ◽  
Cambrian Radiation ◽  
Supplementary Material

Macrofossils of the late Ediacaran Period (c. 579–539 Ma) document diverse, complex multicellular eukaryotes, including early animals, prior to the Cambrian radiation of metazoan phyla. To investigate the relationships between environmental perturbations, biotic responses and early metazoan evolutionary trajectories, it is vital to distinguish between evolutionary and ecological controls on the global distribution of Ediacaran macrofossils. The contributions of temporal, palaeoenvironmental and lithological factors in shaping the observed variations in assemblage taxonomic composition between Ediacaran macrofossil sites are widely discussed, but the role of palaeogeography remains ambiguous. Here we investigate the influence of palaeolatitude on the spatial distribution of Ediacaran macrobiota through the late Ediacaran Period using two leading palaeogeographical reconstructions. We find that overall generic diversity was distributed across all palaeolatitudes. Among specific groups, the distributions of candidate ‘Bilateral’ and Frondomorph taxa exhibit weakly statistically significant and statistically significant differences between low and high palaeolatitudes within our favoured palaeogeographical reconstruction, respectively, whereas Algal, Tubular, Soft-bodied and Biomineralizing taxa show no significant difference. The recognition of statistically significant palaeolatitudinal differences in the distribution of certain morphogroups highlights the importance of considering palaeolatitudinal influences when interrogating trends in Ediacaran taxon distributions.Supplementary material: Supplementary information, data and code are available at https://doi.org/10.6084/m9.figshare.c.5488945Thematic collection: This article is part of the Advances in the Cambrian Explosion collection available at: https://www.lyellcollection.org/cc/advances-cambrian-explosion

scholarly journals Generalized Born radii computation using linear models and neural networks

2019 ◽  
Vol 36 (6) ◽  
pp. 1757-1764
Author(s):  
Saida Saad Mohamed Mahmoud ◽  
Gennaro Esposito ◽  
Giuseppe Serra ◽  
Federico Fogolari
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Linear Model ◽  
Correlation Coefficient ◽  
Linear Models ◽  
Reference Method ◽  
Supplementary Information ◽  
Model Parameters ◽  
Generalized Born ◽  
Supplementary Material

Abstract Motivation Implicit solvent models play an important role in describing the thermodynamics and the dynamics of biomolecular systems. Key to an efficient use of these models is the computation of generalized Born (GB) radii, which is accomplished by algorithms based on the electrostatics of inhomogeneous dielectric media. The speed and accuracy of such computations are still an issue especially for their intensive use in classical molecular dynamics. Here, we propose an alternative approach that encodes the physics of the phenomena and the chemical structure of the molecules in model parameters which are learned from examples. Results GB radii have been computed using (i) a linear model and (ii) a neural network. The input is the element, the histogram of counts of neighbouring atoms, divided by atom element, within 16 Å. Linear models are ca. 8 times faster than the most widely used reference method and the accuracy is higher with correlation coefficient with the inverse of ‘perfect’ GB radii of 0.94 versus 0.80 of the reference method. Neural networks further improve the accuracy of the predictions with correlation coefficient with ‘perfect’ GB radii of 0.97 and ca. 20% smaller root mean square error. Availability and implementation We provide a C program implementing the computation using the linear model, including the coefficients appropriate for the set of Bondi radii, as Supplementary Material. We also provide a Python implementation of the neural network model with parameter and example files in the Supplementary Material as well. Supplementary information Supplementary data are available at Bioinformatics online.

scholarly journals Accept-reject Metropolis-Hastings sampling and marginal likelihood estimation

2005 ◽  
Vol 59 (1) ◽  
pp. 30-44 ◽  
Author(s):  
Siddhartha Chib ◽  
Ivan Jeliazkov
Keyword(s):  
Marginal Likelihood ◽  
Likelihood Estimation ◽  
Marginal Likelihood Estimation

scholarly journals Faucet: streaming de novo assembly graph construction

2017 ◽  
Author(s):  
Roye Rozov ◽  
Gil Goldshlager ◽  
Eran Halperin ◽  
Ron Shamir
Keyword(s):  
Resource Use ◽  
De Novo ◽  
State Of The Art ◽  
Supplementary Information ◽  
De Bruijn Graph ◽  
Assembly Quality ◽  
Metagenome Assembly ◽  
Streaming Algorithm ◽  
Supplementary Material ◽  
De Bruijn

AbstractMotivationWe present Faucet, a 2-pass streaming algorithm for assembly graph construction. Faucet builds an assembly graph incrementally as each read is processed. Thus, reads need not be stored locally, as they can be processed while downloading data and then discarded. We demonstrate this functionality by performing streaming graph assembly of publicly available data, and observe that the ratio of disk use to raw data size decreases as coverage is increased.ResultsFaucet pairs the de Bruijn graph obtained from the reads with additional meta-data derived from them. We show these metadata - coverage counts collected at junction k-mers and connections bridging between junction pairs - contain most salient information needed for assembly, and demonstrate they enable cleaning of metagenome assembly graphs, greatly improving contiguity while maintaining accuracy. We compared Faucet’s resource use and assembly quality to state of the art metagenome assemblers, as well as leading resource-efficient genome assemblers. Faucet used orders of magnitude less time and disk space than the specialized metagenome assemblers MetaSPAdes and Megahit, while also improving on their memory use; this broadly matched performance of other assemblers optimizing resource efficiency - namely, Minia and LightAssembler. However, on metagenomes tested, Faucet’s outputs had 14-110% higher mean NGA50 lengths compared to Minia, and 2-11-fold higher mean NGA50 lengths compared to LightAssembler, the only other streaming assembler available.AvailabilityFaucet is available at https://github.com/Shamir-Lab/[email protected],[email protected] information:Supplementary data are available at Bioinformatics online.

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