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

Maximum Independent Set: Self-Training through Dynamic Programming

Volkan Cevher, Grigorios Chrysos, Efstratios Panteleimon Skoulakis

This work presents a graph neural network (GNN) framework for solving the maximum independent set (MIS) problem, inspired by dynamic programming (DP). Specifically, given a graph, we propose a DP-like recursive algorithm based on GNNs that firstly construc ...

2023

A full characterization of invariant embeddability of unimodular planar graphs

Laszlo Marton Toth

When can a unimodular random planar graph be drawn in the Euclidean or the hyperbolic plane in a way that the distribution of the random drawing is isometry-invariant? This question was answered for one-ended unimodular graphs in Benjamini and Timar, using ...

WILEY2023

Discovering Influencers in Opinion Formation Over Social Graphs

Ali H. Sayed, Mert Kayaalp, Valentina Shumovskaia, Mert Cemri

The adaptive social learning paradigm helps model how networked agents are able to form opinions on a state of nature and track its drifts in a changing environment. In this framework, the agents repeatedly update their beliefs based on private observation ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

ON THE INDEPENDENCE NUMBER OF INTERSECTION GRAPHS OF AXIS-PARALLEL SEGMENTS

Jana Tabea Cslovjecsek

We prove that for any triangle-free intersection graph of n axis-parallel line segments in the plane, the independence number alpha of this graph is at least alpha n/4+ohm(root n). We complement this with a construction of a graph in this class satisfying ...

Carleton Univ, Dept Mathematics & Statistics2023

Results on Sparse Integer Programming and Geometric Independent Sets

Jana Tabea Cslovjecsek

An integer linear program is a problem of the form max{c^T x : Ax=b, x >= 0, x integer}, where A is in Z^(n x m), b in Z^m, and c in Z^n. Solving an integer linear program is NP-hard in general, but there are several assumptions for which it becomes fixed ...

EPFL2023

Privacy-Preserving Machine Learning on Graphs

Sina Sajadmanesh

Graph Neural Networks (GNNs) have emerged as a powerful tool for learning on graphs, demonstrating exceptional performance in various domains. However, as GNNs become increasingly popular, new challenges arise. One of the most pressing is the need to ensur ...

EPFL2023

Finding Paths for Explainable MOOC Recommendation: A Learner Perspective

Tatjana Nazaretsky, Tanja Christina Käser Jacober, Jibril Albachir Frej

The increasing availability of Massive Open Online Courses (MOOCs) has created a necessity for personalized course recommendation systems. These systems often combine neural networks with Knowledge Graphs (KGs) to achieve richer representations of learners ...

2023

Graph neural networks for dynamic modeling of roller bearings

Olga Fink, Vinay Sharma

Machine learning has paved the way for the real-time monitoring of complex infrastructure and industrial systems. However, purely data-driven methods have not been able to learn the underlying dynamics and generalize them to operating conditions that have ...

PHM Society2023

Scalable maximal subgraph mining with backbone-preserving graph convolutions

Karl Aberer, Thanh Trung Huynh, Quoc Viet Hung Nguyen, Thành Tâm Nguyên

Maximal subgraph mining is increasingly important in various domains, including bioinformatics, genomics, and chemistry, as it helps identify common characteristics among a set of graphs and enables their classification into different categories. Existing ...

ELSEVIER SCIENCE INC2023

Graph Representation Learning in Computational Pathology

Guillaume Jaume

Advances in scanning systems have enabled the digitization of pathology slides into Whole-Slide Images (WSIs), opening up opportunities to develop Computational Pathology (CompPath) methods for computer-aided cancer diagnosis and prognosis. CompPath has be ...

EPFL2022