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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

Chat with 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

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

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

Distribution-on-distribution regression via optimal transport maps

Distributional Regression and Autoregression via Optimal Transport

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

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

Gaussian Process Regression for Materials and Molecules

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