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Evolutionary algorithms for molecular design require computationally efficient yet accurate fitness functions. We systematically benchmark Hartree-Fock and density functional theory for predicting molecular first hyperpolarizability…

Chemical Physics · Physics 2026-04-24 Dominic Mashak , S. A. Alexander

Genetic Programming (GP) has been primarily used to tackle optimization, classification, and feature selection related tasks. The widespread use of GP is due to its flexible and comprehensible tree-type structure. Similarly, research is…

Computer Vision and Pattern Recognition · Computer Science 2020-06-29 Asifullah Khan , Aqsa Saeed Qureshi , Noorul Wahab , Mutawara Hussain , Muhammad Yousaf Hamza

The probability that the frequency of a particular trait will eventually become unity, the so-called fixation probability, is a central issue in the study of population evolution. Its computation, once we are given a stochastic finite…

Populations and Evolution · Quantitative Biology 2018-11-22 Fabio A. C. C. Chalub , Max O. Souza

We examine the dynamics of an age-structured population model in which the life expectancy of an offspring may be mutated with respect to that of the parent. While the total population of the system always reaches a steady state, the…

adap-org · Physics 2007-05-23 W. Hwang , P. L. Krapivsky , S. Redner

We propose a variation of the standard genetic algorithm that incorporates social interaction between the individuals in the population. Our goal is to understand the evolutionary role of social systems and its possible application as a…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Rafeal Lahoz-Beltra , Gabriela Ochoa , Uwe Aickelin

It has been shown that differences in fecundity variance can influence the probability of invasion of a genotype in a population, i.e. a genotype with lower variance in offspring number can be favored in finite populations even if it has a…

Populations and Evolution · Quantitative Biology 2007-05-23 Max Shpak

Genetic redundancy is ubiquitous and can be found in any organism. However, it has been argued that genetic redundancy reduces total population fitness, and therefore, redundancy is unlikely to evolve. In this letter, we study an…

Populations and Evolution · Quantitative Biology 2015-06-15 Nen Saito , Shuji Ishihara , Kunihiko Kaneko

Evolving genomes increase a number of their genes by gene duplications. To escape degradation in a functionless pseudogene, any gene duplicate needs to be guarded by negative (purifying) selection from otherwise inevitable fixation of…

Populations and Evolution · Quantitative Biology 2007-05-23 Dmitri Parkhomchuk , Sergei Rodin

Systems of interacting trajectories were recently studied in~\cite{HGSTW24}. Such a system of $[0,1]$-valued piecewise linear trajectories arises as a scaling limit of the system of logarithmic subpopulation sizes in a population-genetic…

Data Structures and Algorithms · Computer Science 2026-04-15 Katalin Friedl , Viktória Nemkin , András Tóbiás

At any moment in time, evolution is faced with a formidable challenge: refining the already highly optimised design of biological species, a feat accomplished through all preceding generations. In such a scenario, the impact of random…

Populations and Evolution · Quantitative Biology 2024-02-20 Alessandro Fontana , Marios Kyriazis

Density functional theory is the workhorse of chemistry and materials science, and novel density functional approximations (DFAs) are published every year. To become available in program packages, the novel DFAs need to be (re)implemented.…

Computational Physics · Physics 2023-09-20 Susi Lehtola , Miguel A. L. Marques

Fine-grained domain generalization (FGDG) is a more challenging task than traditional DG tasks due to its small inter-class variations and relatively large intra-class disparities. When domain distribution changes, the vulnerability of…

Computer Vision and Pattern Recognition · Computer Science 2025-03-27 Wenlong Yu , Dongyue Chen , Qilong Wang , Qinghua Hu

We consider the evolution of a population of fixed size with no selection. The number of generations $G$ to reach the first common ancestor evolves in time. This evolution can be described by a simple Markov process which allows one to…

Statistical Mechanics · Physics 2009-09-29 Damien Simon , Bernard Derrida

It was shown by Gillespie (1974) that if two genotypes produce the same average number of offspring on but have a different variance associated within each generation, the genotype with a lower variance will have a higher effective fitness.…

Populations and Evolution · Quantitative Biology 2007-05-23 Max Shpak

GANs have two competing modules: the generator module is trained to generate new examples, and the discriminator module is trained to discriminate real examples from generated examples. The training procedure of GAN is modeled as a finitely…

Machine Learning · Computer Science 2022-09-29 Ch. Sobhan Babu , Ravindra Guravannavar , Arvind Hulgeri

The protein folding problem has attracted an increasing attention from physicists. The problem has a flavor of statistical mechanics, but possesses the most common feature of most biological problems -- the profound effects of evolution. I…

Statistical Mechanics · Physics 2009-10-31 Chao Tang

Modern genomics experiments measure functional behaviors for many thousands of DNA sequences. We suggest that, especially when these sequences are chosen at random, it is natural to compute correlation functions between sequences and…

Biological Physics · Physics 2020-12-14 Yaojun Zhang , Aakash Basu , Taekjip Ha , William Bialek

Evolutionary game theory has proved to be a powerful tool to probe the self-organisation of collective behaviour by considering frequency-dependent fitness in evolutionary processes. It has shown that the stability of a strategy depends not…

Populations and Evolution · Quantitative Biology 2023-01-11 Diogo L. Pires , Mark Broom

Software engineering is not an empirically based discipline. Consequently, many of its practices are based on little more than a generally agreed feeling that something may be true. Part of the problem is that it is both relatively young…

Software Engineering · Computer Science 2019-12-10 Tim Hopkins , Les Hatton

Evolutionary dynamics and patterns of molecular evolution are strongly influenced by selection on linked regions of the genome, but our quantitative understanding of these effects remains incomplete. Recent work has focused on predicting…

Populations and Evolution · Quantitative Biology 2013-05-29 Benjamin H. Good , Michael M. Desai