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

Publications associées (37)

eLife Assessment: A differentiable Gillespie algorithm for simulating chemical kinetics, parameter estimation, and designing synthetic biological circuits

eLife Sciences Publications, Ltd2025

Speciation-dependent molecular mechanism of electron transfer from the c-type cytochrome MtrC to U(VI)-ligand complexes

Rizlan Bernier-Latmani, Luciano Andres Abriata, Karin Lederballe Meibom, Margaux Camille Andréa Molinas

Members of the Shewanella genus transfer electrons to metal and actinide electron acceptors such as hexavalent uranium, U(VI), via c-type cytochromes. The intracellular mechanism of electron transfer is well studied but the delivery of electrons to externa ...

2025

The Chemical Nature of the Oxide Directs the Stability and Reactivity of Copper|Oxide Interfaces in the Electrochemical CO2 Reduction Reaction

Raffaella Buonsanti, Petru Pasquale Albertini, Jari Leemans, Coline Marie Agathe Boulanger, Krishna Kumar

Understanding the impact of composition and interfaces between metals and oxides is a goal of interest for many chemical reactions. Herein, we propose a framework to map correlations between the electrochemical behavior of the oxide and the stability and r ...

American Chemical Society (ACS)2025

Time-Dependent Deformation of Sandstone due to Chemical Corrosion: An Investigation Using the Heterogeneous Grain-Based Phase-Field Method

Alexandra Roma Larisa Kushnir

Fractures are diverse geological features. Despite extensive research on their varied geometries and growth mechanisms, there has been relatively little focus on how acid-rock interactions, such as reactive transport and precipitation, influence crack grow ...

SPRINGER WIEN2025

Improved bounds and inference on optimal regimes

Mats Julius Stensrud, Aaron Leor Sarvet, Julien David Laurendeau

Point identification of causal effects requires strong assumptions that are unreasonable in many practical settings. However, bounds on these effects can often be derived under plausible assumptions. Even when these bounds are wide or cover null effects, t ...

Informa UK Limited2025

What can radars tell us about snowfall microphysics? Insights from a Markov chain Monte-Carlo approach

Alexis Berne, Anne-Claire Marie Billault--Roux

Multi-frequency and Doppler spectral radars are valuable tools for retrieving information on the microphysics of precipitation, particularly snowfall. However, estimating microphysical properties from radar measurements is an ill-posed problem, i.e., diffe ...

American Meteorological Society2025

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

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

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

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

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, Alfredo Glioti, Siyu Chen

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

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

Generalized Bradley-Terry Models for Score Estimation from Paired Comparisons

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

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

Infinite-width limit of deep linear neural networks

Maria Colombo, Xavier Fernandez-Real Girona, Lénaïc Chizat

This paper studies the infinite-width limit of deep linear neural networks (NNs) initialized with random parameters. We obtain that, when the number of parameters diverges, the training dynamics converge (in a precise sense) to the dynamics obtained from a ...

Hoboken2024

Wind, Hail, and Climate Extremes: Modelling and Attribution Studies for Environmental Data

Ophélia Mireille Anna Miralles

This thesis presents work at the junction of statistics and climate science. We first provide methodology for use by climate scientists when performing fast event attribution using extreme value theory, and then describe two interdisciplinary projects in c ...

EPFL2023

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

Unbiased Likelihood Estimation of Wright–Fisher Diffusion Processes

Fabio Nobile

In this paper we propose a Monte Carlo maximum likelihood estimation strategy for discretely observed Wright–Fisher diffusions. Our approach provides an unbiased estimator of the likelihood function and is based on exact simulation techniques that are of s ...

Springer Cham2024

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Harald Brune, Hao Yin

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising pote ...

Amer Chemical Soc2024