Publications associées à Graph rewriting

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Ksenia Briling, Puck Elisabeth van Gerwen, Yannick Calvino Alonso, Malte Martin Franke

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

The Power of Two Matrices in Spectral Algorithms for Community Recovery

Colin Peter Sandon

Spectral algorithms are some of the main tools in optimization and inference problems on graphs. Typically, the graph is encoded as a matrix and eigenvectors and eigenvalues of the matrix are then used to solve the given graph problem. Spectral algorithms ...

Ieee-Inst Electrical Electronics Engineers Inc2024

The connection of the acyclic disconnection and feedback arc sets - On an open problem of Figueroa et al

Lukas Fritz Felix Vogl

We examine the connection of two graph parameters, the size of a minimum feedback arcs set and the acyclic disconnection. A feedback arc set of a directed graph is a subset of arcs such that after deletion the graph becomes acyclic. The acyclic disconnecti ...

Elsevier2024

Molecular hypergraph neural networks

Philippe Schwaller, Junwu Chen

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher order connections, such as m ...

Aip Publishing2024

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

A tutorial on graph models for scheduling round-robin sports tournaments

Dominique de Werra

Many sports leagues organize their competitions as round-robin tournaments. This tournament design has a rich mathematical structure that has been studied in the literature over the years. We review some of the main properties and fundamental scheduling me ...

WILEY2023

Privatized graph federated learning

Ali H. Sayed, Stefan Vlaski, Elsa Rizk

Federated learning is a semi-distributed algorithm, where a server communicates with multiple dispersed clients to learn a global model. The federated architecture is not robust and is sensitive to communication and computational overloads due to its one-m ...

SPRINGER2023

Equilibria in Network Constrained Energy Markets

Leonardo Massai

We study an energy market composed of producers who compete to supply energy to different markets and want to maximize their profits. The energy market is modeled by a graph representing a constrained power network where nodes represent the markets and lin ...

Elsevier2023

Novel Ordering-based Approaches for Causal Structure Learning in the Presence of Unobserved Variables

We propose ordering-based approaches for learning the maximal ancestral graph (MAG) of a structural equation model (SEM) up to its Markov equivalence class (MEC) in the presence of unobserved variables. Existing ordering-based methods in the literature rec ...

Association for the Advancement of Artificial Intelligence (AAAI)2023

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