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A grand canonical Monte Carlo (MC) algorithm is presented for studying the lattice gas model (LGM) of multiple protein sequence alignment, which coherently combines long-range interactions and variable-length insertions. MC simulations are…

Biomolecules · Quantitative Biology 2017-07-13 Akira R. Kinjo

Experimental studies on enzyme evolution show that only a small fraction of all possible mutation trajectories are accessible to evolution. However, these experiments deal with individual enzymes and explore a tiny part of the fitness…

Populations and Evolution · Quantitative Biology 2015-05-30 Alexander E. Lobkovsky , Yuri I. Wolf , Eugene V. Koonin

The ability to absorb mutations while retaining structure and function, or mutational robustness, is a remarkable property of natural proteins. In this Letter, we use a computational model of organismic evolution [Zeldovich et al, PLOS Comp…

Biomolecules · Quantitative Biology 2008-06-25 Konstantin B. Zeldovich , Eugene I. Shakhnovich

The fitness landscape encodes the mapping of genotypes to fitness and provides a succinct representation of possible trajectories followed by an evolving population. Evolutionary accessibility is quantified by the existence of…

Populations and Evolution · Quantitative Biology 2021-06-30 Joachim Krug

Evolutionary dynamics is often viewed as a subtle process of change accumulation that causes a divergence among organisms and their genomes. However, this interpretation is an inheritance of a gradualistic view that has been challenged at…

Populations and Evolution · Quantitative Biology 2018-07-27 Jacobo Aguirre , Pablo Catalán , José A. Cuesta , Susanna Manrubia

The functions of proteins and RNAs are determined by a myriad of interactions between their constituent residues, but most quantitative models of how molecular phenotype depends on genotype must approximate this by simple additive effects.…

Quantitative Methods · Quantitative Biology 2017-12-19 Adam J. Riesselman , John B. Ingraham , Debora S. Marks

In evolutionary studies it is common to use phylogenetic trees to represent the evolutionary history of a set of species. However, in case the transfer of genes or other genetic information between the species or their ancestors has…

Combinatorics · Mathematics 2022-02-15 Katharina T. Huber , Vincent Moulton , Guillaume E. Scholz

This paper describes a methodology for analyzing the evolutionary dynamics of genetic programming (GP) using genealogical information, diversity measures and information about the fitness variation from parent to offspring. We introduce a…

Machine Learning · Computer Science 2021-08-25 Bogdan Burlacu , Michael Affenzeller , Michael Kommenda

A model of genomic sequence evolution on a species tree should include not only a sequence substitution process, but also a coalescent process, since different sites may evolve on different gene trees due to incomplete lineage sorting.…

Populations and Evolution · Quantitative Biology 2023-03-15 Elizabeth A. Allman , Colby Long , John A. Rhodes

State of the art methods for robotic path planning in dynamic environments, such as crowds or traffic, rely on hand crafted motion models for agents. These models often do not reflect interactions of agents in real world scenarios. To…

Robotics · Computer Science 2020-02-03 Stuart Eiffert , He Kong , Navid Pirmarzdashti , Salah Sukkarieh

Designing protein sequences of both high fitness and novelty is a challenging task in data-efficient protein engineering. Exploration beyond wild-type neighborhoods often leads to biologically implausible sequences or relies on surrogate…

Machine Learning · Computer Science 2025-10-28 Michal Kmicikiewicz , Vincent Fortuin , Ewa Szczurek

Summary: Both theory and empirical evidence indicate that phylogenies (trees) of different genes (loci) do not display precisely matched topologies. This phylogenetic incongruence is attributed to the reticulated evolutionary history of…

Populations and Evolution · Quantitative Biology 2016-01-01 Ruriko Yoshida , Kenji Fukumizu , Chrysafis Vogiatzis

Disease mapping focuses on learning about areal units presenting high relative risk. Disease mapping models for disease counts specify Poisson regressions in relative risks compared with the expected counts. These models typically…

Methodology · Statistics 2016-07-26 Feifei Wang , Jian Wang , Alan E. Gelfand , Fan Li

Generative models are invaluable in many fields of science because of their ability to capture high-dimensional and complicated distributions, such as photo-realistic images, protein structures, and connectomes. How do we evaluate the…

Uncertainty estimation in deep models is essential in many real-world applications and has benefited from developments over the last several years. Recent evidence suggests that existing solutions dependent on simple Gaussian formulations…

Machine Learning · Computer Science 2022-05-11 Jurijs Nazarovs , Ronak R. Mehta , Vishnu Suresh Lokhande , Vikas Singh

Deep generative models have shown great promise when it comes to synthesising novel images. While they can generate images that look convincing on a higher-level, generating fine-grained details is still a challenge. In order to foster…

Computer Vision and Pattern Recognition · Computer Science 2019-01-15 Andrin Jenal , Nikolay Savinov , Torsten Sattler , Gaurav Chaurasia

Bayesian phylogenetic inference is currently done via Markov chain Monte Carlo (MCMC) with simple proposal mechanisms. This hinders exploration efficiency and often requires long runs to deliver accurate posterior estimates. In this paper,…

Machine Learning · Statistics 2024-05-24 Cheng Zhang , Frederick A. Matsen

Motivation: Estimating parameters from data is a key stage of the modelling process, particularly in biological systems where many parameters need to be estimated from sparse and noisy data sets. Over the years, a variety of heuristics have…

Quantitative Methods · Quantitative Biology 2011-11-07 Mariano Beguerisse-Diaz , Baojun Wang , Radhika Desikan , Mauricio Barahona

Macromolecular complexation leading to coupling of two or more cellular membranes is a crucial step in a number of biological functions of the cell. While other mechanisms may also play a role, adhesion always involves the fluctuations of…

Soft Condensed Matter · Physics 2015-09-02 Timo Bihr , Udo Seifert , Ana-Suncana Smith

The evolutionary processes of complex systems contain critical information regarding their functional characteristics. The generation time of edges provides insights into the historical evolution of various networked complex systems, such…

Artificial Intelligence · Computer Science 2025-01-14 En Xu , Can Rong , Jingtao Ding , Yong Li
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