Publications associées à Sequential model identification of reaction systems-The missing path between the incremental and simultaneous approaches

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Ksenia Briling, Puck Elisabeth van Gerwen, Yannick Calvino Alonso, Malte Martin Franke

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

Boosting likelihood learning with event reweighting

Andrea Wulzer, Siyu Chen, Alfredo Glioti

Extracting maximal information from experimental data requires access to the likelihood function, which however is never directly available for complex experiments like those performed at high energy colliders. Theoretical predictions are obtained in this ...

Springer Nature2024

OASIS: An integrated optimisation framework for activity scheduling

Janody Pougala

Activity-based models offer the potential for a far deeper understanding of daily mobility behaviour than trip-based models. Based on the fundamental assumption that travel demand is derived from the need to do activities, they are flexible tools that aim ...

EPFL2024

Statistical Inference for Inverse Problems: From Sparsity-Based Methods to Neural Networks

Pakshal Narendra Bohra

In inverse problems, the task is to reconstruct an unknown signal from its possibly noise-corrupted measurements. Penalized-likelihood-based estimation and Bayesian estimation are two powerful statistical paradigms for the resolution of such problems. They ...

EPFL2024

Oxidation processes and me

Urs von Gunten

This publication summarizes my journey in the field of chemical oxidation processes for water treatment over the last 30+ years. Initially, the efficiency of the application of chemical oxidants for micropollutant abatement was assessed by the abatement of ...

Pergamon-Elsevier Science Ltd2024

Spectral Estimators for High-Dimensional Matrix Inference

Farzad Pourkamali

A key challenge across many disciplines is to extract meaningful information from data which is often obscured by noise. These datasets are typically represented as large matrices. Given the current trend of ever-increasing data volumes, with datasets grow ...

EPFL2024

Generalized Bradley-Terry Models for Score Estimation from Paired Comparisons

Sadegh Farhadkhani, Oscar Jean Olivier Villemaud, Julien René Pierre Fageot, Le Nguyen Hoang

Many applications, e.g. in content recommendation, sports, or recruitment, leverage the comparisons of alternatives to score those alternatives. The classical Bradley-Terry model and its variants have been widely used to do so. The historical model conside ...

AAAI Press2024

Anisotropic Adaptive Finite Elements for a p-Laplacian Problem

Marco Picasso, Paride Passelli

The p-Laplacian problem -del & sdot; ((mu + |del u|(p-2))del u) = f is considered, where mu is a given positive number. An anisotropic a posteriori residual-based error estimator is presented. The error estimator is shown to be equivalent, up to higher ord ...

Walter De Gruyter Gmbh2024

Random matrix methods for high-dimensional machine learning models

Antoine Philippe Michel Bodin

In the rapidly evolving landscape of machine learning research, neural networks stand out with their ever-expanding number of parameters and reliance on increasingly large datasets. The financial cost and computational resources required for the training p ...

EPFL2024

Reactivity of Cyanobacteria Metabolites with Ozone: Multicompound Competition Kinetics

Urs von Gunten

Cyanobacterial blooms occur at increasing frequency and intensity, notably in freshwater. This leads to the introduction of complex mixtures of their products, i.e., cyano-metabolites, to drinking water treatment plants. To assess the fate of cyano-metabol ...

Amer Chemical Soc2024