scholarly journals Evolutionary graph theory beyond pairwise interactions: higher-order network motifs shape times to fixation in structured populations

2021 ◽  
Author(s):  
Oana Carja ◽  
Yang Ping Kuo
Keyword(s):  
Population Structure ◽  
Graph Theory ◽  
Optimization Problems ◽  
Evolutionary Optimization ◽  
Higher Order ◽  
Structured Populations ◽  
Continuous Control ◽  
Trade Offs ◽  
Wide Range ◽  
Evolutionary Graph Theory

To design population topologies that can accelerate rates of solution discovery in directed evolution problems or in evolutionary optimization applications, we must first systematically understand how population structure shapes evolutionary outcome. Using the mathematical formalism of evolutionary graph theory, recent studies have shown how to topologically build networks of population interaction that increase probabilities of fixation of beneficial mutations, at the expense, however, of longer fixation times, which can slow down rates of evolution under elevated mutation rate. Here we find that moving beyond dyadic interactions is fundamental to explain the trade-offs between probability and time to fixation. We show that higher-order motifs, and in particular three-node structures, allow tuning of times to fixation, without changes in probabilities of fixation. This gives a near-continuous control over achieving solutions that allow for a wide range of times to fixation. We apply our algorithms and analytic results to two evolutionary optimization problems and show that the rate at which evolving agents learn to navigate their environment can be tuned near continuously by adjusting the higher-order topology of the agent population. We show that the effects of population structure on the rate of evolution critically depend on the optimization landscape and find that decelerators, with longer times to fixation of new mutants, are able to reach the optimal solutions faster than accelerators in complex solution spaces. Our results highlight that no one population topology fits all optimization applications, and we provide analytic and computational tools that allow for the design of networks suitable for each specific task.

scholarly journals Evolutionary graph theory revisited: when is an evolutionary process equivalent to the Moran process?

2015 ◽  
Vol 471 (2182) ◽  
pp. 20150334 ◽  
Author(s):  
Karan Pattni ◽  
Mark Broom ◽  
Jan Rychtář ◽  
Lara J. Silvers
Keyword(s):  
Graph Theory ◽  
Evolutionary Dynamics ◽  
Evolutionary Process ◽  
Structured Populations ◽  
Fixation Probability ◽  
Finite Populations ◽  
Moran Model ◽  
Moran Process ◽  
Evolutionary Graph Theory ◽  
Associated Matrix

Evolution in finite populations is often modelled using the classical Moran process. Over the last 10 years, this methodology has been extended to structured populations using evolutionary graph theory. An important question in any such population is whether a rare mutant has a higher or lower chance of fixating (the fixation probability) than the Moran probability, i.e. that from the original Moran model, which represents an unstructured population. As evolutionary graph theory has developed, different ways of considering the interactions between individuals through a graph and an associated matrix of weights have been considered, as have a number of important dynamics. In this paper, we revisit the original paper on evolutionary graph theory in light of these extensions to consider these developments in an integrated way. In particular, we find general criteria for when an evolutionary graph with general weights satisfies the Moran probability for the set of six common evolutionary dynamics.

Current Trends in Biotherapeutic Higher Order Structure Characterization by Irreversible Covalent Footprinting Mass Spectrometry

2019 ◽  
Vol 26 (1) ◽  
pp. 35-43 ◽  
Author(s):  
Natalie K. Garcia ◽  
Galahad Deperalta ◽  
Aaron T. Wecksler
Keyword(s):  
Mass Spectrometry ◽  
Protein Structure ◽  
Protein Interactions ◽  
Quaternary Structure ◽  
Solvent Accessibility ◽  
Higher Order ◽  
Structure Characterization ◽  
Order Structure ◽  
Protein Footprinting ◽  
Wide Range

Background: Biotherapeutics, particularly monoclonal antibodies (mAbs), are a maturing class of drugs capable of treating a wide range of diseases. Therapeutic function and solutionstability are linked to the proper three-dimensional organization of the primary sequence into Higher Order Structure (HOS) as well as the timescales of protein motions (dynamics). Methods that directly monitor protein HOS and dynamics are important for mapping therapeutically relevant protein-protein interactions and assessing properly folded structures. Irreversible covalent protein footprinting Mass Spectrometry (MS) tools, such as site-specific amino acid labeling and hydroxyl radical footprinting are analytical techniques capable of monitoring the side chain solvent accessibility influenced by tertiary and quaternary structure. Here we discuss the methodology, examples of biotherapeutic applications, and the future directions of irreversible covalent protein footprinting MS in biotherapeutic research and development. Conclusion: Bottom-up mass spectrometry using irreversible labeling techniques provide valuable information for characterizing solution-phase protein structure. Examples range from epitope mapping and protein-ligand interactions, to probing challenging structures of membrane proteins. By paring these techniques with hydrogen-deuterium exchange, spectroscopic analysis, or static-phase structural data such as crystallography or electron microscopy, a comprehensive understanding of protein structure can be obtained.

scholarly journals Fundamental limits of electron and nuclear spin qubit lifetimes in an isolated self-assembled quantum dot

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
George Gillard ◽  
Ian M. Griffiths ◽  
Gautham Ragunathan ◽  
Ata Ulhaq ◽  
Callum McEwan ◽  
...  
Keyword(s):  
Quantum Dot ◽  
Spin Relaxation ◽  
Nuclear Spin ◽  
Operating Conditions ◽  
External Control ◽  
Spin Qubits ◽  
Fundamental Limits ◽  
Trade Offs ◽  
Wide Range ◽  
Spin Qubit

AbstractCombining external control with long spin lifetime and coherence is a key challenge for solid state spin qubits. Tunnel coupling with electron Fermi reservoir provides robust charge state control in semiconductor quantum dots, but results in undesired relaxation of electron and nuclear spins through mechanisms that lack complete understanding. Here, we unravel the contributions of tunnelling-assisted and phonon-assisted spin relaxation mechanisms by systematically adjusting the tunnelling coupling in a wide range, including the limit of an isolated quantum dot. These experiments reveal fundamental limits and trade-offs of quantum dot spin dynamics: while reduced tunnelling can be used to achieve electron spin qubit lifetimes exceeding 1 s, the optical spin initialisation fidelity is reduced below 80%, limited by Auger recombination. Comprehensive understanding of electron-nuclear spin relaxation attained here provides a roadmap for design of the optimal operating conditions in quantum dot spin qubits.

scholarly journals Gene Expression Space Shapes the Bioprocess Trade-Offs among Titer, Yield and Productivity

2021 ◽  
Vol 11 (13) ◽  
pp. 5859
Author(s):  
Fernando N. Santos-Navarro ◽  
Yadira Boada ◽  
Alejandro Vignoni ◽  
Jesús Picó
Keyword(s):  
Gene Expression ◽  
Gene Transcription ◽  
Performance Metrics ◽  
Cell Mass ◽  
Gene Copy ◽  
Substrate Uptake ◽  
Promoter Strength ◽  
Expression Levels ◽  
Trade Offs ◽  
Wide Range

Optimal gene expression is central for the development of both bacterial expression systems for heterologous protein production, and microbial cell factories for industrial metabolite production. Our goal is to fulfill industry-level overproduction demands optimally, as measured by the following key performance metrics: titer, productivity rate, and yield (TRY). Here we use a multiscale model incorporating the dynamics of (i) the cell population in the bioreactor, (ii) the substrate uptake and (iii) the interaction between the cell host and expression of the protein of interest. Our model predicts cell growth rate and cell mass distribution between enzymes of interest and host enzymes as a function of substrate uptake and the following main lab-accessible gene expression-related characteristics: promoter strength, gene copy number and ribosome binding site strength. We evaluated the differential roles of gene transcription and translation in shaping TRY trade-offs for a wide range of expression levels and the sensitivity of the TRY space to variations in substrate availability. Our results show that, at low expression levels, gene transcription mainly defined TRY, and gene translation had a limited effect; whereas, at high expression levels, TRY depended on the product of both, in agreement with experiments in the literature.

scholarly journals On the Effectiveness of Sampling for Evolutionary Optimization in Noisy Environments

2018 ◽  
Vol 26 (2) ◽  
pp. 237-267 ◽  
Author(s):  
Chao Qian ◽  
Yang Yu ◽  
Ke Tang ◽  
Yaochu Jin ◽  
Xin Yao ◽  
...  
Keyword(s):  
Negative Impact ◽  
Fitness Function ◽  
Evolutionary Optimization ◽  
Function Evaluation ◽  
Noisy Optimization ◽  
Running Time ◽  
Analysis And Design ◽  
True Value ◽  
Wide Range ◽  
The Impact

In real-world optimization tasks, the objective (i.e., fitness) function evaluation is often disturbed by noise due to a wide range of uncertainties. Evolutionary algorithms are often employed in noisy optimization, where reducing the negative effect of noise is a crucial issue. Sampling is a popular strategy for dealing with noise: to estimate the fitness of a solution, it evaluates the fitness multiple ([Formula: see text]) times independently and then uses the sample average to approximate the true fitness. Obviously, sampling can make the fitness estimation closer to the true value, but also increases the estimation cost. Previous studies mainly focused on empirical analysis and design of efficient sampling strategies, while the impact of sampling is unclear from a theoretical viewpoint. In this article, we show that sampling can speed up noisy evolutionary optimization exponentially via rigorous running time analysis. For the (1[Formula: see text]1)-EA solving the OneMax and the LeadingOnes problems under prior (e.g., one-bit) or posterior (e.g., additive Gaussian) noise, we prove that, under a high noise level, the running time can be reduced from exponential to polynomial by sampling. The analysis also shows that a gap of one on the value of [Formula: see text] for sampling can lead to an exponential difference on the expected running time, cautioning for a careful selection of [Formula: see text]. We further prove by using two illustrative examples that sampling can be more effective for noise handling than parent populations and threshold selection, two strategies that have shown to be robust to noise. Finally, we also show that sampling can be ineffective when noise does not bring a negative impact.

scholarly journals A Modified NM-PSO Method for Parameter Estimation Problems of Models

2012 ◽  
Vol 2012 ◽  
pp. 1-12 ◽  
Author(s):  
An Liu ◽  
Erwie Zahara ◽  
Ming-Ta Yang
Keyword(s):  
Genetic Algorithm ◽  
Parameter Estimation ◽  
Particle Swarm Optimization ◽  
Differential Equations ◽  
Ordinary Differential Equations ◽  
Optimization Problems ◽  
Particle Swarm ◽  
Swarm Optimization ◽  
Wide Range ◽  
Estimation Problems

Ordinary differential equations usefully describe the behavior of a wide range of dynamic physical systems. The particle swarm optimization (PSO) method has been considered an effective tool for solving the engineering optimization problems for ordinary differential equations. This paper proposes a modified hybrid Nelder-Mead simplex search and particle swarm optimization (M-NM-PSO) method for solving parameter estimation problems. The M-NM-PSO method improves the efficiency of the PSO method and the conventional NM-PSO method by rapid convergence and better objective function value. Studies are made for three well-known cases, and the solutions of the M-NM-PSO method are compared with those by other methods published in the literature. The results demonstrate that the proposed M-NM-PSO method yields better estimation results than those obtained by the genetic algorithm, the modified genetic algorithm (real-coded GA (RCGA)), the conventional particle swarm optimization (PSO) method, and the conventional NM-PSO method.

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