Publications associées à Genetic Algorithms for the Discovery of Homogeneous Catalysts

Data from: Optimal blade pitch control for enhanced vertical-axis wind turbine performance

Sébastien Le Fouest, Karen Ann J Mulleners

This directory contains open-source data obtained using a single-bladed H-type vertical-axis wind turbine prototype with individual blade pitching. This data results from the optimisation of the blade's pitching kinematics using a genetic algorithm at two ...

Zenodo2024

A ride time-oriented scheduling algorithm for dial-a-ride problems

Nikolaos Geroliminis, Claudia Bongiovanni, Mor Kaspi

This paper offers a new algorithm to efficiently optimize scheduling decisions for dial-a-ride problems (DARPs), including problem variants considering electric and autonomous vehicles (e-ADARPs). The scheduling heuristic, based on linear programming theor ...

Pergamon-Elsevier Science Ltd2024

Scalable constrained optimization

Maria-Luiza Vladarean

Modern optimization is tasked with handling applications of increasingly large scale, chiefly due to the massive amounts of widely available data and the ever-growing reach of Machine Learning. Consequently, this area of research is under steady pressure t ...

EPFL2024

SOMOphilic alkyne vs radical-polar crossover approaches: The full story of the azido-alkynylation of alkenes

Jérôme Waser, Julien Aymeric Borrel

We report the detailed background for the discovery and development of the synthesis of homopropargylic azides by the azidoalkynylation of alkenes. Initially, a strategy involving SOMOphilic alkynes was adopted, but only resulted in a 29% yield of the desi ...

Beilstein-Institut2024

Contemporary Logic Synthesis: with an Application to AQFP Circuit Optimization

Siang-Yun Lee

Electronic devices play an irreplaceable role in our lives. With the tightening time to market, exploding demand for computing power, and continuous desire for smaller, faster, less energy-consuming, and lower-cost chips, computer-aided design for electron ...

EPFL2024

Heterogeneous catalysis via light-heat dual activation: A path to the breakthrough in C1 chemistry

Bingqiao Xie

A hybrid photothermal catalytic system, which combines both the photochemical (light) and thermal (heat) activation pathways over a bifunctional catalyst, has demonstrated remarkable levels of reaction activity and selectivity when compared with individual ...

Cell Press2024

Mesh-based topology, shape and sizing optimization of ribbed plates

In this paper, we present a new parameterization and optimization procedure for minimizing the weight of ribbed plates. The primary goal is to reduce embodied CO2 in concrete floors as part of the effort to diminish the carbon footprint of the construction ...

Springer2024

The effect of smooth parametrizations on nonconvex optimization landscapes

Nicolas Boumal

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

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Optimization Algorithms for Decentralized, Distributed and Collaborative Machine Learning

Anastasiia Koloskova

Distributed learning is the key for enabling training of modern large-scale machine learning models, through parallelising the learning process. Collaborative learning is essential for learning from privacy-sensitive data that is distributed across various ...

EPFL2024

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

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

Wind farm power density optimization according to the area size using a novel self-adaptive genetic algorithm

Fernando Porté Agel, Nicolas Otto Kirchner Bossi

This work studies the power density (PD) optimization in wind farms, and its sensitivity to the available area size. A novel genetic algorithm (PDGA) is introduced, which optimizes PD and the turbine layout, by self-adapting to the PD and to the solutions ...

Pergamon-Elsevier Science Ltd2023

Optimization of elastic wave propagation in a reconfigurable medium by genetic algorithms with adaptive mutation probability

Romain Christophe Rémy Fleury, Janez Rus

We introduce a reconfigurable medium for the manipulation of elastic propagation properties of Lamb waves. It is based on a shape memory polymer (SMP) with temperature-dependent Young's modulus. Waves are excited by a laser pulse and detected by a laser vi ...

IOP Publishing Ltd2023

Homogeneous catalysis with nitrous oxide

Kay Severin

Nitrous oxide (N2O; ‘laughing gas’) is a powerful oxidant, but chemical transformations are hampered by the inert character of this gas. Recent advances in using N2O as an oxidant in metal-catalyzed reactions are discussed. The focus will be on reactions t ...

2023

Quality-Constrained Encoding Optimization for Omnidirectional Video Streaming

Pascal Frossard, Roberto Gerson De Albuquerque Azevedo, Chaofan He

Omnidirectional video streaming is usually implemented based on the representations of tiles, where the tiles are obtained by splitting the video frame into several rectangular areas and each tile is converted into multiple representations with different r ...

Ieee-Inst Electrical Electronics Engineers Inc2023

A comprehensive review of digital twin-part 2: roles of uncertainty quantification and optimization, a battery digital twin, and perspectives

Sayan Ghosh, Chao Hu, Olga Fink

As an emerging technology in the era of Industry 4.0, digital twin is gaining unprecedented attention because of its promise to further optimize process design, quality control, health monitoring, decision- and policy-making, and more, by comprehensively m ...

SPRINGER2023

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

Bayesian Optimization for Chemical Reactions

Philippe Schwaller, Bojana Rankovic, Jeff Guo

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

An Integrated Approach to Designing Robust Turbocompressors on Gas Bearings Through Surrogate Modeling and Constrained Multi-Objective Optimization

Jürg Alexander Schiffmann, Cyril Picard, Soheyl Massoudi

Designing turbocompressors is a complex and challenging task, as it involves balancing conflicting objectives such as efficiency, stability, and robustness against manufacturing deviations. This paper proposes an integrated design methodology for turbocomp ...

ASME Amer Soc Mechanical Engineers2023