Publication

Machine learning models of the energy curvature vs particle number for optimal tuning of long-range corrected functionals

Publications associées (34)

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search

Herein, machine learning (ML) models using multiple linear regression (MLR), support vector regression (SVR), random forest (RF) and artificial neural network (ANN) are developed and compared to predict the output features viz. specific capacitance (Csp), ...

Lausanne2024

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

In this paper, we present an exact (i. e. non-approximated) and linear measurement model for hybrid AC/DC microgrids for recursive state estimation (SE). More specifically, an exact linear model of a voltage source converter (VSC) is proposed. It relies on ...

New York2023

Linear Recursive State Estimation of Hybrid and Unbalanced AC/DC Micro-Grids using Synchronized Measurements

Mario Paolone, Willem Lambrichts

In this paper, we present an exact (i.e. non-approximated) and linear measurement model for hybrid AC/DC micro-grids for recursive state estimation (SE). More specifically, an exact linear model of a voltage source converter (VSC) is proposed. It relies on ...

2022

Hands-on reservoir computing: a tutorial for practical implementation

Matteo Cucchi, Giuseppe Ciccone

This manuscript serves a specific purpose: to give readers from fields such as material science, chemistry, or electronics an overview of implementing a reservoir computing (RC) experiment with her/his material system. Introductory literature on the topic ...

IOP Publishing Ltd2022

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

Ksenia Briling, Alberto Fabrizio

Machine learning (ML) algorithms have undergone an explosive development impacting every aspect of computational chemistry. To obtain reliable predictions, one needs to maintain a proper balance between the black-box nature of ML frameworks and the physics ...

AMER INST PHYSICS2021

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

Andrea Grisafi

Theoretical and computational approaches to the study of materials and molecules have, over the last few decades, progressed at an exponential rate. Yet, the possibility of producing numerical predictions that are on par with experimental measurements is t ...

EPFL2021

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

Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity

Ksenia Briling, Alberto Fabrizio, Andrea Grisafi

Machine-learning in quantum chemistry is currently booming, with reported applications spanning all molecular properties from simple atomization energies to complex mathematical objects such as the many-body wavefunction. Due to its central role in density ...

2020