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Biologists have long sought a way to explain how statistical properties of genetic sequences emerged and are maintained through evolution. On the one hand, non-random structures at different scales indicate a complex genome organisation. On…

Quantitative Methods · Quantitative Biology 2018-11-01 Giampaolo Cristadoro , Mirko Degli Esposti , Eduardo G. Altmann

Given the amino acid sequence of a protein, researchers often infer its structure and function by finding homologous, or evolutionarily-related, proteins of known structure and function. Since structure is typically more conserved than…

Computational Engineering, Finance, and Science · Computer Science 2015-03-23 Noah M. Daniels

The complexity and non-Euclidean structure of graph data hinder the development of data augmentation methods similar to those in computer vision. In this paper, we propose a feature augmentation method for graph nodes based on topological…

Machine Learning · Computer Science 2021-04-07 Rui Song , Fausto Giunchiglia , Ke Zhao , Hao Xu

The process of evolutionary diversification unfolds in a vast genotypic space of potential outcomes. During the past century there have been remarkable advances in the development of theory for this diversification, and the theory's success…

Populations and Evolution · Quantitative Biology 2011-10-14 Troy Day

The protein folding problem must ultimately be solved on all length scales from the atomic up through a hierarchy of complicated structures. By analyzing the stability of the folding process using physics and mathematics, this paper shows…

Biological Physics · Physics 2015-05-28 Walter Simmons , Joel L. Weiner

With advances in sequencing technologies, there are now massive amounts of genomic data from across all life, leading to the possibility that a robust Tree of Life can be constructed. However, "gene tree heterogeneity", which is when…

Populations and Evolution · Quantitative Biology 2018-03-08 Sebastien Roch , Michael Nute , Tandy Warnow

We introduce an evolutionary algorithm called recombinator-$k$-means for optimizing the highly non-convex kmeans problem. Its defining feature is that its crossover step involves all the members of the current generation, stochastically…

Machine Learning · Computer Science 2022-02-10 Carlo Baldassi

We apply modern methods in computational topology to the task of discovering and characterizing phase transitions. As illustrations, we apply our method to four two-dimensional lattice spin models: the Ising, square ice, XY, and…

Statistical Mechanics · Physics 2021-10-04 Alex Cole , Gregory J. Loges , Gary Shiu

We present a machine learning approach that leverages persistent homology to classify bacterial flagellar motors into two functional states: rotated and stalled. By embedding protein structural data into a topological framework, we extract…

Biomolecules · Quantitative Biology 2025-12-19 Zakaria Lamine , Abdelatif Hafid , Mohamed Rahouti

One of the outstanding challenges in comparative genomics is to interpret the evolutionary importance of regulatory variation between species. Rigorous molecular evolution-based methods to infer evidence for natural selection from…

Populations and Evolution · Quantitative Biology 2013-10-16 Joshua G. Schraiber , Yulia Mostovoy , Tiffany Y. Hsu , Rachel B. Brem

Neural network training is commonly based on SGD. However, the understanding of SGD's ability to converge to good local minima, given the non-convex nature of loss functions and the intricate geometric characteristics of loss landscapes,…

The problem of reconstructing evolutionary trees or phylogenies is of great interest in computational biology. A popular model for this problem assumes that we are given the set of leaves (current species) of an unknown binary tree and the…

Data Structures and Algorithms · Computer Science 2022-06-16 Eshwar Ram Arunachaleswaran , Anindya De , Sampath Kannan

The genetic code maps the sixty-four nucleotide triplets (codons) to twenty amino-acids. While the biochemical details of this code were unraveled long ago, its origin is still obscure. We review information-theoretic approaches to the…

Genomics · Quantitative Biology 2010-07-23 Tsvi Tlusty

Network centrality measures play a crucial role in understanding graph structures, assessing the importance of nodes, paths, or cycles based on directed or reciprocal interactions encoded by vertices and edges. Estrada and Ross extended…

Computational Geometry · Computer Science 2024-04-26 John Rick D. Manzanares , Paul Samuel P. Ignacio

While many approaches to make neural networks more fathomable have been proposed, they are restricted to interrogating the network with input data. Measures for characterizing and monitoring structural properties, however, have not been…

Machine Learning · Computer Science 2019-09-30 Bastian Rieck , Matteo Togninalli , Christian Bock , Michael Moor , Max Horn , Thomas Gumbsch , Karsten Borgwardt

Phylogenetic trees and networks are graphs used to model evolutionary relationships, with trees representing strictly branching histories and networks allowing for events in which lineages merge, called reticulation events. While the…

Populations and Evolution · Quantitative Biology 2026-04-17 Martin Frohn , Niels Holtgrefe , Leo van Iersel , Mark Jones , Steven Kelk

Topology identification and inference of processes evolving over graphs arise in timely applications involving brain, transportation, financial, power, as well as social and information networks. This chapter provides an overview of graph…

Signal Processing · Electrical Eng. & Systems 2025-12-12 Gonzalo Mateos , Yanning Shen , Georgios B. Giannakis , Ananthram Swami

One of the paramount challenges in neuroscience is to understand the dynamics of individual neurons and how they give rise to network dynamics when interconnected. Historically, researchers have resorted to graph theory, statistics, and…

Neurons and Cognition · Quantitative Biology 2019-02-08 Jean-Baptiste Bardin , Gard Spreemann , Kathryn Hess

The aim of this paper is two-fold. First, we propose a new computational method to investigate the particularities of evolution. Second, we apply this method to a model of gene regulatory networks (GRNs) and explore the evolution of…

Molecular Networks · Quantitative Biology 2022-01-21 Tadamune Kaneko , Macoto Kikuchi

The origin and organizing principles of the genetic code remain fundamental puzzles in life science. The vanishingly low probability of the natural codon-to-amino acid mapping arising by chance has spurred the hypothesis that its structure…

Other Quantitative Biology · Quantitative Biology 2025-10-14 Yudam Seo , Tsvi Tlusty , Junghyo Jo