Publications associées à Quantitative Structure-Property Relationships for Thermal Stability and Explosive Properties of Chemicals

Publications associées (31)

Sex differences in the association of Alzheimer's disease biomarkers and cognition in a multicenter memory clinic study

Background This study investigated sex differences in the associations between Alzheimer's disease (AD) biomarkers, cognitive performance, and decline in memory clinic settings. Methods 249 participants (females/males:123/126), who underwent tau-PET, amylo ...

BMC2025

Model reduction of coupled systems based on non-intrusive approximations of the boundary response maps

Jan Sickmann Hesthaven, Niccolo' Discacciati

We propose a local, non -intrusive model order reduction technique to accurately approximate the solution of coupled multi -component parametrized systems governed by partial differential equations. Our approach is based on the approximation of the boundar ...

Elsevier Science Sa2024

Seebeck Coefficient of Ionic Conductors from Bayesian Regression Analysis

Paolo Pegolo

We propose a novel approach to evaluating the ionic Seebeck coefficient in electrolytes from relatively short equilibrium molecular dynamics simulations, based on the Green-Kubo theory of linear response and Bayesian regression analysis. By exploiting the ...

Amer Chemical Soc2024

On distributional autoregression and iterated transportation

Victor Panaretos, Laya Ghodrati

We consider the problem of defining and fitting models of autoregressive time series of probability distributions on a compact interval of Double-struck capital R. An order-1 autoregressive model in this context is to be understood as a Markov chain, where ...

Wiley2024

Iterative removal of sources to model the turbulent electromotive force

Salim Bennouna, Abhijit Bhausaheb Bendre

We describe a novel method to compute the components of dynamo tensors from direct magnetohydrodynamic (MHD) simulations. Our method relies upon an extension and generalization of the standard H & ouml;gbom CLEAN algorithm widely used in radio astronomy to ...

Oxford Univ Press2024

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

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

Distributional Regression and Autoregression via Optimal Transport

Laya Ghodrati

We present a framework for performing regression when both covariate and response are probability distributions on a compact and convex subset of

\R^d

. Our regression model is based on the theory of optimal transport and links the conditional Fr'echet m ...

EPFL2023

Bayes-optimal Learning of Deep Random Networks of Extensive-width

Lenka Zdeborová, Florent Gérard Krzakala, Hugo Chao Cui

We consider the problem of learning a target function corresponding to a deep, extensive-width, non-linear neural network with random Gaussian weights. We consider the asymptotic limit where the number of samples, the input dimension and the network width ...

2023

Acute TNF alpha levels predict cognitive impairment 6-9 months after COVID-19 infection

Dimitri Nestor Alice Van De Ville, Alessandra Griffa, Idris Guessous, Alexandre Cionca

Background: A neurocognitive phenotype of post-COVID-19 infection has recently been described that is characterized by a lack of awareness of memory impairment (i.e., anosognosia), altered functional connectivity in the brain's default mode and limbic netw ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Reliable uncertainties: Error correlation, rotated error bars, and linear regressions in three-isotope plots and beyond

Reto Georg Trappitsch

Correlated errors of experimental data are a common but often neglected problem in physical sciences. Various tools are provided here for thorough propagation of uncertainties in cases of correlated errors. Discussed are techniques especially applicable to ...

ELSEVIER2023

Semi-Supervised Deep Learning Representations in Earth Observation Based Forest Management

Devis Tuia, Marc Conrad Russwurm, Lloyd Haydn Hughes

In this study, we examine the potential of several self-supervised deep learning models in predicting forest attributes and detecting forest changes using ESA Sentinel-1 and Sentinel-2 images. The performance of the proposed deep learning models is compare ...

The Institute of Electrical and Electronics Engineers, Inc2023

Regressive Tomography and Direct Regressive Reconstruction: A Research Note

Henri Weisen

Two related methods for inverting line-integrated measurements are presented in this research paper in the context of the recent deuterium-tritium experiments in the JET tokamak. Unlike traditional methods of tomography, these methods rely on making use of ...

2023

Uncertainty quantification in machine learning for engineering design and health prognostics: A tutorial

Olga Fink, Luca Biggio

On top of machine learning (ML) models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and reliability impr ...

2023

Scaling behavior of bedload transport: what if Bagnold was right?

Christophe Ancey

There is a paradox in the relationship between bedload transport rates and flow variables: laboratory and field studies have reported on how bedload transport rates depend on flow variables through a power law, but none of the empirical laws fitted to the ...

2023

DARE-GRAM : Unsupervised Domain Adaptation Regression by Aligning Inverse Gram Matrices

Olga Fink, Ismail Nejjar

Unsupervised Domain Adaptation Regression (DAR) aims to bridge the domain gap between a labeled source dataset and an unlabelled target dataset for regression problems. Recent works mostly focus on learning a deep feature encoder by minimizing the discrepa ...

IEEE2023

Roles of Clinical Features and Chest CT in Predicting the Outcomes of Hospitalized Patients with COVID-19 Developing AKI

Ali Falsafi

This research aimed to evaluate the clinical features and computed tomography (CT) scans associated with poor outcomes in COVID-19 patients with acute kidney injury (AKI). A total of 351 COVID-19 patients (100 AKI, 251 non-AKI) hospitalized at Imam Hossein ...

IRANIAN SOC NEPHROLGY2023

Comparison of regression techniques for generating surrogate models to predict the thermodynamic behavior of biomass gasification systems

François Maréchal, Daniel Alexander Florez Orrego, Julia Granacher, Meire Ellen Gorete Ribeiro Domingos, Marie Jane Francine Jones

Biomass resources can play an important role in the energy transition, being a dynamic feedstock that can be transformed either into solid, liquid or gaseous fuels. The biomass gasification is a versatile way to convert wastes into energy. In this work, th ...

Elsevier2023

BigNeuron: a resource to benchmark and predict performance of algorithms for automated tracing of neurons in light microscopy datasets

Pascal Fua, Sean Lewis Hill, Jiancheng Yang, Amos Sironi, Jian Yang

BigNeuron is an open community bench-testing platform with the goal of setting open standards for accurate and fast automatic neuron tracing. We gathered a diverse set of image volumes across several species that is representative of the data obtained in m ...

Nature Publishing Group2023

MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation

Pascal Frossard

This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D atom arrangements. Unlike existing methods that rely on predefined rules to determine molecular bonds based on the 3D conformation, MiDi o ...

Springer International Publishing Ag2023