Publications related to Fitness function

Co-Design Optimisation of Morphing Topology and Control of Winged Drones

Dario Floreano, Valentin Wüest, Fabio Bergonti

The design and control of winged aircraft and drones is an iterative process aimed at identifying a compromise of mission-specific costs and constraints. When agility is required, shape-shifting (morphing) drones represent an efficient solution. However, m ...

IEEE2024

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

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

A combined genetic algorithm and active learning approach to build and test surrogate models in Process Systems Engineering

François Maréchal, Julia Granacher

In Process Systems Engineering, computationally-demanding models are frequent and plentiful. Handling such complexity in an optimization framework in a fast and reliable way is essential, not only for generating meaningful solutions but also for providing ...

Pergamon-Elsevier Science Ltd2023

Genetic Optimization of Homogeneous Catalysts

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Simone Gallarati

We present the NaviCatGA package, a versatile genetic algorithm capable of optimizing molecular catalyst structures using well-suited fitness functions to achieve a set of targeted properties. The flexibility and generality of this tool are validated and d ...

2022

Exploration of static equilibrium representations; policies and genetic algorithms

Corentin Jean Dominique Fivet, Ioannis Mirtsopoulos

Design exploration consists in browsing the design space and through the incremental generation of diverse design candidates increases creativity and diversity. When integrated into the early stages of the structural design process, the task is expected to ...

CRC Press2022

Policy-based Exploration of Equilibrium Representations (PEER): A topology grammar for generative conceptual structural design

Ioannis Mirtsopoulos

Design exploration is a creative process that consists of the incremental generation of design candidates. Supported by digital means or not, the process handles the ill-structured nature of design and allows creativity to flourish through diversity of des ...

EPFL2022

Multi-Level Monte Carlo Methods for Uncertainty Quantification and Risk-Averse Optimisation

Sundar Subramaniam Ganesh

This work aims to study the effects of wind uncertainties in civil engineering structural design. Optimising the design of a structure for safety or operability without factoring in these uncertainties can result in a design that is not robust to these per ...

EPFL2022

Large Steps in Inverse Rendering of Geometry

Wenzel Alban Jakob, Baptiste Alexandre Marie Philippe Claude Nicolet

Inverse reconstruction from images is a central problem in many scientific and engineering disciplines. Recent progress on differentiable rendering has led to methods that can efficiently differentiate the full process of image formation with respect to mi ...

ASSOC COMPUTING MACHINERY2021

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

Bias free multiobjective active learning for materials design and discovery

Berend Smit, Kevin Maik Jablonka, Shi-Lin Wang

The design rules for materials are clear for applications with a single objective. For most applications, however, there are often multiple, sometimes competing objectives where there is no single best material and the design rules change to finding the se ...

Nature Research2021

Data reduction for mixed integer linear programming in complex energy systems

François Maréchal, Luc Girardin, Julia Granacher, Luise Middelhauve, Natalija Ljubic

The task of optimally designing and scheduling energy systems with a high share of renewable energies is complex and computationally demanding. A widespread method for tackling this task is to apply mixed integer linear programming (MILP). Even though the ...

2021

Wind Farm Area Shape Optimization Using Newly Developed Multi-Objective Evolutionary Algorithms

Fernando Porté Agel, Nicolas Otto Kirchner Bossi

In recent years, wind farm layout optimization (WFLO) has been extendedly developed to address the minimization of turbine wake effects in a wind farm. Considering that increasing the degrees of freedom in the decision space can lead to more efficient solu ...

MDPI2021

Realistic Constrained Multi-Objective Optimization Benchmark Problems from Design

Jürg Alexander Schiffmann, Cyril Picard

Multi-objective optimization is increasingly used in engineering to design new systems and to identify design trade-offs. Yet, design problems often have objective functions and constraints that are expensive and highly non-linear. Combinations of these fe ...

2020

Wasserstein Distributionally Robust Learning

Soroosh Shafieezadeh Abadeh

Many decision problems in science, engineering, and economics are affected by uncertainty, which is typically modeled by a random variable governed by an unknown probability distribution. For many practical applications, the probability distribution is onl ...

EPFL2020

Design of a quality control network for an international food company

Philippe Wieser, Nicolas Zufferey, Simone Lydia Voldrich

In this article, the design of a quality control network is considered in an entire supply chain, in the context of an international food and beverage company, denoted as ABC. For each possible control point of the network, two decisions have to be made: ( ...

TAYLOR & FRANCIS INC2020

A new wake model and comparison of eight algorithms for layout optimization of wind farms in complex terrain

Fernando Porté Agel, Roberto Brogna

Layout optimization of wind farms constitutes an important and challenging task in complex terrain. This is especially due to the complex interactions of the boundary layer flows in complex terrain and wind turbine wakes, which renders wake modelling in co ...

ELSEVIER SCI LTD2020

Machine learning methods to assist energy system optimization

Jean-Louis Scartezzini, Amarasinghage Tharindu Dasun Perera, Vahid Moussavi Nik

This study evaluates the potential of supervised and transfer learning techniques to assist energy system optimization. A surrogate model is developed with the support of a supervised learning technique (by using artificial neural network) in order to bypa ...

2019

IMPACT: Interval-based Multi-pass Proteomic Alignment with Constant Traceback

James Richard Larus, Sahand Kashani, Stuart Anthony Byma

Darwin is a genomics co-processor that achieved a 15000x acceleration on long read assembly through innovative hardware and algorithm co-design. Darwins algorithms and hardware implementation were specifically designed for DNA analysis pipelines. This pape ...

2019

Redefining energy system flexibility for distributed energy system design

Jean-Louis Scartezzini, Amarasinghage Tharindu Dasun Perera, Vahid Moussavi Nik

A novel method is introduced in this study to consider flexibility taking into account both system design and operation strategy by using fuzzy logic. A stochastic optimization algorithm is introduced to optimize the system design and operation strategy of ...

2019