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What can we learn by transposing the calibration – validation paradigm into a multi-objective context ?

Related publications (29)

Scalable constrained optimization

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

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

Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning

Philippe Schwaller, Jeff Guo

Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...

Amer Chemical Soc2024

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

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

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

Reliable data-driven decision-making through optimal transport

Bahar Taskesen

Decision-making permeates every aspect of human and societal development, from individuals' daily choices to the complex decisions made by communities and institutions. Central to effective decision-making is the discipline of optimization, which seeks th ...

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

Augmented Lagrangian Methods for Provable and Scalable Machine Learning

Mehmet Fatih Sahin

Non-convex constrained optimization problems have become a powerful framework for modeling a wide range of machine learning problems, with applications in k-means clustering, large- scale semidefinite programs (SDPs), and various other tasks. As the perfor ...

EPFL2023

Stochastic adaptive resampling for the estimation of discrete choice models

Michel Bierlaire, Nicola Marco Ortelli, Matthieu Marie Cochon de Lapparent

In the field of choice modeling, the availability of ever-larger datasets has the potential to significantly expand our understanding of human behavior, but this prospect is limited by the poor scalability of discrete choice models (DCMs): as sample sizes ...

2023

Design and experimental investigation of a herringbone grooved gas bearing supported turbocharger

Jürg Alexander Schiffmann, Wanhui Liu

The design of an oil free turbocharger supported on herringbone grooved gas bearing was formulated as a multi-objective problem, which was solved by coupling a reduced order parametric model for gas bearing supported rotors with an evolutionary algorithm. ...

2023

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

C-shells: Deployable Gridshells with Curved Beams

Mark Pauly, Francis Julian Panetta, Yingying Ren, Quentin Christian Becker, Davide Pellis, Seiichi Eduardo Suzuki Erazo

We introduce a computational pipeline for simulating and designing C-shells, a new class of planar-to-spatial deployable linkage structures. A C-shell is composed of curved flexible beams connected at rotational joints that can be assembled in a stress-fre ...

2023

Byzantine-Resilient Learning Beyond Gradients: Distributing Evolutionary Search

Rachid Guerraoui, Andrei Kucharavy, Matteo Monti

Modern machine learning (ML) models are capable of impressive performances. However, their prowess is not due only to the improvements in their architecture and training algorithms but also to a drastic increase in computational power used to train them.|S ...

Assoc Computing Machinery2023

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

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

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

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

Stochastic-robust planning optimization method based on tracking-economy extreme scenario tradeoff for CCHP multi-energy system

François Maréchal, Yuxuan Li

The load tracking performance of combined cooling, heating, and power multi-energy system (CCHP-MES) greatly depends on the equipment capacity configuration. And the frequent fluctuations in the source-load uncertainty puts higher demands on the load track ...

PERGAMON-ELSEVIER SCIENCE LTD2023

A Spatial Branch and Bound Algorithm for Continuous Pricing with Advanced Discrete Choice Demand Modeling

Michel Bierlaire

In this paper, we present a spatial branch and bound algorithm to tackle the continuous pricing problem, where demand is captured by an advanced discrete choice model (DCM). Advanced DCMs, like mixed logit or latent class models, are capable of modeling de ...

2023