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Related publications (28)

Network-based kinetic models: Emergence of a statistical description of the graph topology

Matteo Raviola

In this paper, we propose a novel approach that employs kinetic equations to describe the collective dynamics emerging from graph-mediated pairwise interactions in multi-agent systems. We formally show that for large graphs and specific classes of interact ...

Cambridge Univ Press2024

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

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

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

Random matrix methods for high-dimensional machine learning models

Antoine Philippe Michel Bodin

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

Metastability of the Potts Ferromagnet on Random Regular Graphs

Jean Bernoulli Ravelomanana

We study the performance of Markov chains for the q-state ferromagnetic Potts model on random regular graphs. While the cases of the grid and the complete graph are by now well-understood, the case of random regular graphs has resisted a detailed analysis ...

SPRINGER2023

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

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

Estimating the Topology of Preferential Attachment Graphs Under Partial Observability

Ali H. Sayed

This work addresses the problem of learning the topology of a network from the signals emitted by the network nodes. These signals are generated over time through a linear diffusion process, where neighboring nodes exchange messages according to the underl ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

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

Acceleration of graph pattern mining and applications to financial crime

Jovan Blanusa

Various forms of real-world data, such as social, financial, and biological networks, can be represented using graphs. An efficient method of analysing this type of data is to extract subgraph patterns, such as cliques, cycles, and motifs, from graphs. For ...

EPFL2023

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

Beyond Spectral Gap: The Role of the Topology in Decentralized Learning

Martin Jaggi, Thijs Vogels, Hadrien Hendrikx

In data-parallel optimization of machine learning models, workers collaborate to improve their estimates of the model: more accurate gradients allow them to use larger learning rates and optimize faster. In the decentralized setting, in which workers commu ...

Microtome Publishing2023

The Role of Adaptivity in Source Identification with Time Queries

Gergely Odor

Understanding epidemic propagation in large networks is an important but challenging task, especially since we usually lack information, and the information that we have is often counter-intuitive. An illustrative example is the dependence of the final siz ...

EPFL2022

Graph Embedding for Retrieval

Chi Thang Duong

Information retrieval (IR) systems such as search engines are important for people to find what they need among the tremendous amount of data available in their organization or on the Internet. These IR systems enable users to search in a large data collec ...

EPFL2022

SPECTRE: Spectral Conditioning Helps to Overcome the Expressivity Limits of One-shot Graph Generators

Andreas Loukas, Nathanaël Perraudin

We approach the graph generation problem from a spectral perspective by first generating the dominant parts of the graph Laplacian spectrum and then building a graph matching these eigenvalues and eigenvectors. Spectral conditioning allows for direct model ...

JMLR-JOURNAL MACHINE LEARNING RESEARCH2022

Relative, local and global dimension in complex networks

Alexis Arnaudon

Dimension is a fundamental property of objects and the space in which they are embedded. Yet ideal notions of dimension, as in Euclidean spaces, do not always translate to physical spaces, which can be constrained by boundaries and distorted by inhomogenei ...

Nature Portfolio2022

Incompleteness of graph neural networks for points clouds in three dimensions

Michele Ceriotti, Sergey Pozdnyakov

Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials. First-order GNNs are well known to be incomplete, i.e. there exist graphs that ...

IOP Publishing Ltd2022

On the robustness of the metric dimension of grid graphs to adding a single edge

Patrick Thiran, Gergely Odor

The metric dimension (MD) of a graph is a combinatorial notion capturing the minimum number of landmark nodes needed to distinguish every pair of nodes in the graph based on graph distance. We study how much the MD can increase if we add a single edge to t ...

2022

Statistical limits of dictionary learning: Random matrix theory and the spectral replica method

Nicolas Macris, Jean François Emmanuel Barbier

We consider increasingly complex models of matrix denoising and dictionary learning in the Bayes-optimal setting, in the challenging regime where the matrices to infer have a rank growing linearly with the system size. This is in contrast with most existin ...

AMER PHYSICAL SOC2022

Graph Representation Learning with Optimal Transport: Analysis and Applications

Effrosyni Simou

In several machine learning settings, the data of interest are well described by graphs. Examples include data pertaining to transportation networks or social networks. Further, biological data, such as proteins or molecules, lend themselves well to graph- ...

EPFL2022