COSMOGRAIL: the COSmological MOnitoring of GRAvItational Lenses XII. Time delays of the doubly lensed quasars SDSS J1206+4332 and HS 2209+1914

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Daily Contributors of Tinnitus Loudness and Distress: An Ecological Momentary Assessment Study

BackgroundTinnitus is a heterogeneous condition which may be associated with moderate to severe disability, but the reasons why only a subset of individuals is burdened by the condition are not fully clear. Ecological momentary assessment (EMA) allows a be ...

FRONTIERS MEDIA SA2022

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - Part 2: Shine on you, crazy peroxide

César Pulgarin, Stefanos Giannakis, Ling Feng

In this second part of the development of a mechanistic kinetic model of the solar inactivation of E. coli enhanced with hydrogen peroxide, we evaluate the mechanisms based on photonic inactivation and integrate them into the kinetic model of the dark proc ...

ELSEVIER SCIENCE SA2022

Associations between urinary biomarkers of oxidative stress and biomarkers of tobacco smoke exposure in smokers

Florian Frédéric Vincent Breider, Dominique Grandjean, Nicolas Sambiagio

Oxidative stress can contribute to the development of diseases, and may originate from exposures to toxicants commonly found in air pollution and cigarette smoke such as polycyclic aromatic hydrocarbons (PAHs) and volatile organic compounds (VOCs). Yet, as ...

Elsevier2022

Mechanistic modelling of solar disinfection (SODIS) kinetics of Escherichia coli, enhanced with H2O2 - part 1: The dark side of peroxide

César Pulgarin, Stefanos Giannakis, Ling Feng

The present bi-partite work describes the development and validation of a mechanistic kinetic model of SODIS E. coli inactivation, enhanced with H2O2. In this first part, the mechanism of the baseline dark phenomena is modelled. A mechanistic model involvi ...

ELSEVIER SCIENCE SA2022

Improving sample and feature selection with principal covariates regression

Michele Ceriotti, Edgar Albert Engel, Benjamin Aaron Helfrecht, Sergei Kliavinek

Selecting the most relevant features and samples out of a large set of candidates is a task that occurs very often in the context of automated data analysis, where it improves the computational performance and often the transferability of a model. Here we ...

2021

Linear regression analysis of regional mean speed of Athens city network using drone data: A multi-modal approach

Nikolaos Geroliminis, Emmanouil Barmpounakis

The work proposes a multi-modal regional mean speed regression analysis for the city network of Athens, Greece. The dataset from pNUEMA experiment is used in the present context. Accumulations and mean speeds of different modes are estimated and compared t ...

2021

Multi-ion-sensing emulator and multivariate calibration optimization by machine learning models

Giovanni De Micheli, Sandro Carrara, Mandresy Ivan Ny Hanitra, Francesca Criscuolo

One paramount challenge in multi-ion-sensing arises from ion interference that degrades the accuracy of sensor calibration. Machine learning models are here proposed to optimize such multivariate calibration. However, the acquisition of big experimental da ...

2021

Physics-Inspired Structural Representations for Molecules and Materials

Michele Ceriotti, Félix Benedito Clément Musil, Andrea Grisafi

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic-scale structure of matter and its properties, involves transforming the Cartesian coordinates of the atom ...

AMER CHEMICAL SOC2021

Gaussian Process Regression for Materials and Molecules

Michele Ceriotti, David Mark Wilkins

We provide an introduction to Gaussian process regression (GPR) machinelearning methods in computational materials science and chemistry. The focus of the present review is on the regression of atomistic properties: in particular, on the construction of in ...

AMER CHEMICAL SOC2021

Fast screening of covariates in population models empowered by machine learning

Jan Sickmann Hesthaven, Nadia Terranova

One of the objectives of Pharmacometry (PMX) population modeling is the identification of significant and clinically relevant relationships between parameters and covariates. Here, we demonstrate how this complex selection task could benefit from supervise ...

2021

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