Publications de Clément Arthur Yvon Vignac

Equivariant 3D-conditional diffusion model for molecular linker design

Pascal Frossard, Bruno Emanuel Ferreira De Sousa Correia, Arne Schneuing, Ilia Igashov, Clément Arthur Yvon Vignac

Fragment-based drug discovery has been an effective paradigm in early-stage drug development. An open challenge in this area is designing linkers between disconnected molecular fragments of interest to obtain chemically relevant candidate drug molecules. I ...

2024

Equivariant Neural Architectures for Representing and Generating Graphs

Clément Arthur Yvon Vignac

Graph machine learning offers a powerful framework with natural applications in scientific fields such as chemistry, biology and material sciences. By representing data as a graph, we encode the prior knowledge that the data is composed of a set of entiti ...

EPFL2023

DiGress: Discrete Denoising diffusion for graph generation

Pascal Frossard, Volkan Cevher, Igor Krawczuk, Clément Arthur Yvon Vignac, Bohan Wang

This work introduces DiGress, a discrete denoising diffusion model for generating graphs with categorical node and edge attributes. Our model utilizes a discrete diffusion process that progressively edits graphs with noise, through the process of adding or ...

2023

Equivariant Diffusion for Molecule Generation in 3D

Clément Arthur Yvon Vignac

This work introduces a diffusion model for molecule generation in 3D that is equivariant to Euclidean transformations. Our E(3) Equivariant Diffusion Model (EDM) learns to denoise a diffusion process with an equivariant network that jointly operates on bot ...

JMLR-JOURNAL MACHINE LEARNING RESEARCH2022

On The Choice of Graph Neural Network Architectures

Pascal Frossard, Guillermo Ortiz Jimenez, Clément Arthur Yvon Vignac

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals. With the development of graph networks, this setup has become a de facto benchmark for a sign ...

IEEE2020

Modurec: Recommender Systems with Feature and Time Modulation

Pascal Frossard, Clément Arthur Yvon Vignac, Javier Alejandro Maroto Morales

Current state of the art algorithms for recommender systems are mainly based on collaborative filtering, which exploits user ratings to discover latent factors in the data. These algorithms unfortunately do not make effective use of other features, which c ...

IEEE2020

Learning anisotropic filters on product graphs

Pascal Frossard, Clément Arthur Yvon Vignac

The extension of convolutional neural networks to irregular domains has pavedthe way to promising graph data analysis methods. It has however come at theexpense of a reduced representation power, as most of these new network archi-tectures can only learn i ...

2019