activity
20192024
most citedEquivariant Diffusion for Molecule Generation in 3D

124 citations · 264 across the 8 of their papers we have counts for

collaborators

10 papers

cs.LG2024

Generative Modelling of Structurally Constrained Graphs

Manuel Madeira, Clement Vignac, Dorina Thanou +1

Graph diffusion models have emerged as state-of-the-art techniques in graph generation; yet, integrating domain knowledge into these models remains challenging. Domain knowledge is…

cs.LG2023

Sparse Training of Discrete Diffusion Models for Graph Generation

Yiming Qin, Clement Vignac, Pascal Frossard

Generative graph models struggle to scale due to the need to predict the existence or type of edges between all node pairs. To address the resulting quadratic complexity, existing…

cs.LG2023★ 10 cited

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

Clement Vignac, Nagham Osman, Laura Toni +1

This work introduces MiDi, a novel diffusion model for jointly generating molecular graphs and their corresponding 3D arrangement of atoms. Unlike existing methods that rely on pre…

cs.LG2022★ 35 cited

Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design

Ilia Igashov, Hannes Stärk, Clément Vignac +5

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 fra…

cs.LG2022★ 73 cited

DiGress: Discrete Denoising diffusion for graph generation

Clement Vignac, Igor Krawczuk, Antoine Siraudin +3

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…

cs.LG2022★ 124 cited

Equivariant Diffusion for Molecule Generation in 3D

Emiel Hoogeboom, Victor Garcia Satorras, Clément Vignac +1

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…

cs.LG2021★ 1 cited

Top-N: Equivariant set and graph generation without exchangeability

Clement Vignac, Pascal Frossard

This work addresses one-shot set and graph generation, and, more specifically, the parametrization of probabilistic decoders that map a vector-shaped prior to a distribution over s…

cs.IR2020

Modurec: Recommender Systems with Feature and Time Modulation

Javier Maroto, Clément Vignac, Pascal Frossard

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 a…

cs.LG2020★ 21 cited

Building powerful and equivariant graph neural networks with structural message-passing

Clement Vignac, Andreas Loukas, Pascal Frossard

Message-passing has proved to be an effective way to design graph neural networks, as it is able to leverage both permutation equivariance and an inductive bias towards learning lo…

cs.SI2019

On the choice of graph neural network architectures

Clément Vignac, Guillermo Ortiz-Jiménez, Pascal Frossard

Seminal works on graph neural networks have primarily targeted semi-supervised node classification problems with few observed labels and high-dimensional signals. With the developm…