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MultiBUGS (https://www.multibugs.org) is a new version of the general-purpose Bayesian modelling software BUGS that implements a generic algorithm for parallelising Markov chain Monte Carlo (MCMC) algorithms to speed up posterior inference…

Computation · Statistics 2020-10-09 Robert J. B. Goudie , Rebecca M. Turner , Daniela De Angelis , Andrew Thomas

Computer simulations are an important tool for studying the mechanics of biological evolution. In particular, in silico work with agent-based models provides an opportunity to collect high-quality records of ancestry relationships among…

Neural and Evolutionary Computing · Computer Science 2024-10-03 Matthew Andres Moreno , Anika Ranjan , Emily Dolson , Luis Zaman

The use of Bayesian adaptive designs for randomised controlled trials has been hindered by the lack of software readily available to statisticians. We have developed a new software package (Bayesian Adaptive Trials Simulator Software -…

Phylogenomics, even more so than traditional phylogenetics, needs to represent the uncertainty in evolutionary trees due to systematic error. Here we illustrate the analysis of genome-scale alignments of yeast, using robust measures of the…

Populations and Evolution · Quantitative Biology 2009-12-31 Peter J. Waddell , Ariful Azad

Convergent evolution provides a useful framework for testing whether independent origins of similar traits share common genetic mechanisms. Evolutionary Sparse Learning with Paired Species Contrast (ESL-PSC) is an approach to identify genes…

Populations and Evolution · Quantitative Biology 2026-05-28 John B. Allard , Sudhir Kumar

Bayesian optimization is efficient even with a small amount of data and is used in engineering and in science, including biology and chemistry. In Bayesian optimization, a parameterized model with an uncertainty is fitted to explain the…

Machine Learning · Computer Science 2024-12-06 Yujin Taguchi , Yusuke Shibuya , Yusuke Hiki , Takashi Morikura , Takahiro G. Yamada , Akira Funahashi

Modeling sequence evolution on phylogenetic trees is a useful technique in computational biology. Especially powerful are models which take account of the heterogeneous nature of sequence evolution according to the "grammar" of the encoded…

Quantitative Methods · Quantitative Biology 2015-06-04 Oscar Westesson , Ian Holmes

Evolutionary sparse learning (ESL) uses a supervised machine learning approach, Least Absolute Shrinkage and Selection Operator (LASSO), to build models explaining the relationship between a hypothesis and the variation across genomic…

Populations and Evolution · Quantitative Biology 2025-01-10 Maxwell Sanderford , Sudip Sharma , Glen Stecher , Jun Liu , Jieping Ye , Sudhir Kumar

Phylogeny is the field of modelling the temporal discrete dynamics of speciation. Complex models can nowadays be studied using the Approximate Bayesian Computation approach which avoids likelihood calculations. The field's progression is…

Populations and Evolution · Quantitative Biology 2020-11-23 Krzysztof Bartoszek , Pietro Liò

A parallel code has been written in FORTRAN90, C, and MPI for the analysis of biological simulation data. Using a master/slave algorithm, the software operates on AMBER generated trajectory data using either UNIX or MPI file IO, and it…

Computational Physics · Physics 2008-08-25 David N. Lebard

1. Challenging calibration of complex models can be approached by using prior knowledge on the parameters. However, the natural choice of Bayesian inference can be computationally heavy when relying on Markov Chain Monte Carlo (MCMC)…

Applications · Statistics 2023-04-27 Charlotte Baey , Henrik G. Smith , Maj Rundlöf , Ola Olsson , Yann Clough , Ullrika Sahlin

Motivation: Accurate detection of sequence similarity and homologous recombination are essential parts of many evolutionary analyses. Results: We have developed SimPlot++, an open-source multiplatform application implemented in Python,…

Quantitative Methods · Quantitative Biology 2022-04-14 Stéphane Samson , Étienne Lord , Vladimir Makarenkov

Binary stars undergo a variety of interactions and evolutionary phases, critical for predicting and explaining observed properties. Binary population synthesis with full stellar-structure and evolution simulations are computationally…

Animal-borne sensors (`bio-loggers') can record a suite of kinematic and environmental data, which are used to elucidate animal ecophysiology and improve conservation efforts. Machine learning techniques are used for interpreting the large…

In non-linear systems, where explicit analytic solutions usually can't be found, visualisation is a powerful approach which can give insights into the dynamical behaviour of models; it is also crucial for teaching this area of mathematics.…

Mathematical Software · Computer Science 2016-01-20 Robert Merrison-Hort

Research waste in biomedical science is driven by redundant studies, incomplete reporting, and the limited scalability of traditional evidence synthesis workflows. We present an AI co-scientist for scalable and transparent knowledge…

Artificial Intelligence · Computer Science 2026-01-21 Arya Rahgozar , Pouria Mortezaagha

libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator--simulator--allocator paradigm, where generators produce input for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-06 Stephen Hudson , Jeffrey Larson , John-Luke Navarro , Stefan M. Wild

We introduce a data-driven epistatic model of protein evolution, capable of generating evolutionary trajectories spanning very different time scales reaching from individual mutations to diverged homologs. Our in silico evolution…

Biomolecules · Quantitative Biology 2024-09-30 Leonardo Di Bari , Matteo Bisardi , Sabrina Cotogno , Martin Weigt , Francesco Zamponi

Simulating student learning behaviors in open-ended problem-solving environments holds potential for education research, from training adaptive tutoring systems to stress-testing pedagogical interventions. However, collecting authentic data…

Artificial Intelligence · Computer Science 2026-05-07 Hanchen David Wang , Clayton Cohn , Zifan Xu , Siyuan Guo , Gautam Biswas , Meiyi Ma

We introduce a new library named abess that implements a unified framework of best-subset selection for solving diverse machine learning problems, e.g., linear regression, classification, and principal component analysis. Particularly, the…

Machine Learning · Statistics 2024-04-02 Jin Zhu , Xueqin Wang , Liyuan Hu , Junhao Huang , Kangkang Jiang , Yanhang Zhang , Shiyun Lin , Junxian Zhu