Publications related to Fitness landscape

The effect of smooth parametrizations on nonconvex optimization landscapes

We develop new tools to study landscapes in nonconvex optimization. Given one optimization problem, we pair it with another by smoothly parametrizing the domain. This is either for practical purposes (e.g., to use smooth optimization algorithms with good g ...

Springer Heidelberg2024

Enriching the Computational Toolbox for Organocatalysis

Simone Gallarati

Organocatalysis has evolved significantly over the last decades, becoming a pillar of synthetic chemistry, but traditional theoretical approaches based on quantum mechanical computations to investigate reaction mechanisms and provide rationalizations of ca ...

EPFL2023

Impact of population size on early adaptation in rugged fitness landscapes

Anne-Florence Raphaëlle Bitbol, Richard Marie Servajean

Owing to stochastic fluctuations arising from finite population size, known as genetic drift, the ability of a population to explore a rugged fitness landscape depends on its size. In the weak mutation regime, while the mean steady-state fitness increases ...

ROYAL SOC2023

Genetic Algorithms for the Discovery of Homogeneous Catalysts

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Puck Elisabeth van Gerwen, Alexandre Alain Schöpfer, Simone Gallarati

In this account, we discuss the use of genetic algorithms in the inverse design process of homogeneous catalysts for chemical transformations. We describe the main components of evolutionary experiments, specifically the nature of the fitness function to o ...

2023

Bayesian Optimization for Chemical Reactions

Philippe Schwaller, Jeff Guo, Bojana Rankovic

Reaction optimization is challenging and traditionally delegated to domain experts who iteratively pro-pose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach convergence ...

Swiss Chemical Soc2023

Universal and adaptive methods for robust stochastic optimization

Ali Kavis

Within the context of contemporary machine learning problems, efficiency of optimization process depends on the properties of the model and the nature of the data available, which poses a significant problem as the complexity of either increases ad infinit ...

EPFL2023

Population pharmacokinetic model selection assisted by machine learning

Jan Sickmann Hesthaven, Nadia Terranova

A fit-for-purpose structural and statistical model is the first major requirement in population pharmacometric model development. In this manuscript we discuss how this complex and computationally intensive task could benefit from supervised machine learni ...

SPRINGER/PLENUM PUBLISHERS2022

Spatial areas of genotype probability: Predicting the spatial distribution of adaptive genetic variants under future climatic conditions

Stéphane Joost, Oliver Michele Selmoni, Estelle Rochat

In a context of rapid global change, one of the key components for the survival of species is their genetic evolutionary potential for adaptation. Many methods have been developed to identify genetic variants underpinning adaptation to climate, but few too ...

2021

Cellular memory enhances bacterial chemotactic navigation in rugged environments

Adám Gosztolai

The response of microbes to external signals is mediated by biochemical networks with intrinsic time scales. These time scales give rise to a memory that impacts cellular behaviour. Here we study theoretically the role of cellular memory in Escherichia col ...

NATURE PUBLISHING GROUP2020

Beyond the patch: on landscape-explicit metapopulation dynamics

Jonathan Giezendanner

Climate change threatens biodiversity and species distribution all over the world at unprecedented rates. Human induced changes to landscape structure and habitat are redefining the relation between species and their environment. Understanding, characteriz ...

EPFL2020

Protein Structural Information and Evolutionary Landscape by In Vitro Evolution

Paolo De Los Rios

Protein structure is tightly intertwined with function according to the laws of evolution. Understanding how structure determines function has been the aim of structural biology for decades. Here, we have wondered instead whether it is possible to exploit ...

OXFORD UNIV PRESS2020

Evolving biodiversity patterns in changing river networks

Andrea Rinaldo, Enrico Bertuzzo

Biodiversity patterns are governed by landscape structure and dispersal strategies of residing organisms. Landscape, however, changes, and dispersal strategies evolve with it. It is unclear how these biological and geomorphological changes interplay to aff ...

2019

Identifying Reaction Species by Evolutionary Fitting and Kinetic Analysis: An Example of CO2 Hydrogenation in DRIFTS

Andreas Züttel, Emanuele Moioli, Ligang Wang, Kun Zhao, Marco Calizzi

Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) investigations of molecules at the surface of catalysts exhibit a strong overlap of the adsorption peaks. Therefore, the investigation of the CO2 hydrogenation on a highly active catalyst ...

2019

The fitness landscape of the codon space across environments

Jeffrey David Jensen, Claudia Bank, Sebastian Matuszewski

Fitness landscapes map the relationship between genotypes and fitness. However, most fitness landscape studies ignore the genetic architecture imposed by the codon table and thereby neglect the potential role of synonymous mutations. To quantify the fitnes ...

NATURE PUBLISHING GROUP2018

The Least Cost Path From Landscape Genetics to Landscape Genomics: Challenges and Opportunities to Explore NGS Data in a Spatially Explicit Context

Stéphane Joost

Ecosystems are the stage on which the play of evolution is acted. Inferring evolutionary processes from the spatial and temporal genetic patterns they produce in populations is challenging because ecosystems are highly complex, spatially structured, and te ...

2018

Likelihood-free Inference of Population Genetic Parameters from Time-Sampled Genetic Data

Hyunjin Shim

This thesis consists of five papers published in peer-reviewed journals, two of which focus on method development of time-serial inference, represented by publications in methodology journals, and three others that describe collaborative data applications ...

EPFL2018

Interactive optimization for supporting multicriteria decisions in urban and energy system planning

Sébastien Cajot

Climate change and growing urban populations are increasingly putting pressure on cities to reduce their carbon emissions and transition towards efficient and renewable energy systems. This challenges in particular urban planners, who are expected to integ ...

EPFL2018

Tissue-specific enhancer repression through molecular integration of cell signaling inputs

Bart Deplancke

Drosophila leg morphogenesis occurs under the control of a relatively well-known genetic cascade, which mobilizes both cell signaling pathways and tissue-specific transcription factors. However, their cross-regulatory interactions, deployed to refine leg p ...

2017

The ultimate and proximate mechanisms driving the evolution of long tails in forest deer mice

Susanne Petra Pfeifer

Understanding both the role of selection in driving phenotypic change and its underlying genetic basis remain major challenges in evolutionary biology. Here, we use modern tools to revisit a classic system of local adaptation in the North American deer mou ...

Wiley2017

On the (un) predictability of a large intragenic fitness landscape

Jeffrey David Jensen, Claudia Bank, Sebastian Matuszewski

The study of fitness landscapes, which aims at mapping genotypes to fitness, is receiving ever-increasing attention. Novel experimental approaches combined with next-generation sequencing (NGS) methods enable accurate and extensive studies of the fitness e ...

National Academy of Sciences2016