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Physics-Inspired Structural Representations for Molecules and Materials

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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

Physics-Inspired Structural Representations for Molecules and Materials

Graph Chatbot

Chattez avec Graph Search

Machine learning models for prediction of electrochemical properties in supercapacitor electrodes using MXene and graphene nanoplatelets

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

Distributional Regression and Autoregression via Optimal Transport

Distribution-on-distribution regression via optimal transport maps

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

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Gaussian Process Regression for Materials and Molecules

Impact of quantum-chemical metrics on the machine learning prediction of electron density

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

Analysing the effects of residential mobility behaviours on the composition of personal network in Switzerland

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

Distributional Regression and Autoregression via Optimal Transport

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Distribution-on-distribution regression via optimal transport maps

Machine learning models for prediction of electrochemical properties in supercapacitor electrodes using MXene and graphene nanoplatelets

Analysing the effects of residential mobility behaviours on the composition of personal network in Switzerland

Gaussian Process Regression for Materials and Molecules

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

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

Impact of quantum-chemical metrics on the machine learning prediction of electron density