12 papers · ranked by Valyu relevance
Zhimeng Zhou, Yang Nan, Minjie Mou, Yuntao Qian + 16 more
Artificial intelligence (AI) is increasingly permeating the drug development pipeline. Numerous algorithms for accelerating this multi-stage and multi-task process have been constructed, which depends heavily on expert design and labor-intensive task-specific optimization. Given that AI-driven acceleration of drug…
Stefano Nolfi, Paolo Pagliuca
We investigate the use of competitive co-evolution for synthesizing progressively better solutions. Specifically, we introduce a set of methods to measure historical and global progress. We discuss the factors that facilitate genuine progress. Finally, we compare the efficacy of four qualitatively different algorithms.…
Prasad U. Bandodkar, Razeen R. Shaikh, Gregory T. Reeves
Model development is essential to gain a mathematical understanding of the underlying phenomena in systems biology. In most models, it is typically hard to estimate the values of the biophysical/phenomenological parameters that characterize the model. The parameters are estimated by minimizing a function that reduces a…
Nhat Khang Ngo, Thanh V. T. Tran, Viet Thanh Duy Nguyen, Truong Son Hy
Directed evolution has been the most effective method for protein engineering that optimizes biological functionalities through a resource-intensive process of screening or selecting among a vast range of mutations. To mitigate this extensive procedure, recent advancements in machine learning-guided methodologies…
Lillian T. Tatka, Lucian P. Smith, Herbert M. Sauro
Evolutionary algorithms, a class of optimization techniques inspired by biological evolution, have emerged as powerful tools for the optimization of complex systems, including the evolution of mass-action chemical reaction networks. This work explores the application of evolutionary algorithms in this domain…
Kangbien Park
Humans have long employed directed evolution (DE) to engineer desired biological traits. In this paper, I introduce an algebraic framework that provides a quantitative representation of the general phenotypic traits of asexual populations, enabling the systematic modeling of DE processes. Within this framework, key…
G. Mazzotti, L. Bianco, M. Bado, E. Lavezzo + 2 more
Next Generation Sequencing technologies are essential in public health surveillance for tracking pathogen evolution, spread, and the emergence of new variants. However, the extensive sequencing of viral genomes during recent pandemics has highlighted the limitations of traditional molecular phylogenetic algorithms in…
Erin R. Claussen, P. Douglas Renfrew, Christian L. Müller, Kevin Drew
Energy minimization is necessary for virtually all modeling and design tasks and involves traversing extremely rugged energy landscapes. Although the gradient descent based minimization routines in Rosetta have fast runtimes, due to these rugged landscapes, minimization often converges into high-energy local minima.…
Husanbir Singh Pannu, Douglas B. Kell
We analyse the effectiveness of differential evolution hyperparameters in large-scale search problems, i.e. those with very many variables or vector elements, using a novel objective function that is easily calculated from the vector/string itself. The objective function is simply the sum of the differences between…
Khushi Goda, Fikret Isik
A newly developed software, AgMate, was used to perform optimized mating for monoecious Pinus taeda L. breeding. Using a computational optimization procedure called differential evolution (DE), AgMate was applied under different breeding population sizes scenarios (50, 100, 150, 200, 250) and candidate contribution…
Changin Oh, Kathleen P. Wilkie
We present the Toroidal Search Algorithm (TSA), a novel population-based metaheuristic optimization method inspired by the topology of a torus. Conventional metaheuristics frequently suffer from boundary stagnation, a phenomenon that severely degrades performance in bounded and high-dimensional search spaces. TSA…
Fangfei Li, Aditya Mahadevan, Gavin Sherlock
Genetic barcoding provides a high-throughput way to simultaneously track the frequencies of large numbers of competing and evolving microbial lineages. However making inferences about the character of the evolution that is taking place remains a difficult task. Here we describe a step toward more accurate inference of…