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Message Passing Neural Networks (MPNNs) are instances of Graph Neural Networks that leverage the graph to send messages over the edges. This inductive bias leads to a phenomenon known as over-squashing, where a node feature is insensitive…

Machine Learning · Computer Science 2023-05-25 Francesco Di Giovanni , Lorenzo Giusti , Federico Barbero , Giulia Luise , Pietro Lio' , Michael Bronstein

Can graph neural networks generalize to graphs that are different from the graphs they were trained on, e.g., in size? In this work, we study this question from a theoretical perspective. While recent work established such transferability…

Machine Learning · Computer Science 2023-06-08 Thien Le , Stefanie Jegelka

We propose a unified framework for adaptive connection sampling in graph neural networks (GNNs) that generalizes existing stochastic regularization methods for training GNNs. The proposed framework not only alleviates over-smoothing and…

Graph neural networks (GNNs) have been widely investigated in the field of semi-supervised graph machine learning. Most methods fail to exploit adequate graph information when labeled data is limited, leading to the problem of…

Machine Learning · Computer Science 2023-03-15 Linxuan Song , Wenxuan Tu , Sihang Zhou , Xinwang Liu , En Zhu

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a…

Machine Learning · Computer Science 2023-05-22 Eran Rosenbluth , Jan Toenshoff , Martin Grohe

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

This paper presents methods to analyze functional brain networks and signals from graph spectral perspectives. The notion of frequency and filters traditionally defined for signals supported on regular domains such as discrete time and…

Neurons and Cognition · Quantitative Biology 2016-11-03 Weiyu Huang , Leah Goldsberry , Nicholas F. Wymbs , Scott T. Grafton , Danielle S. Bassett , Alejandro Ribeiro

Message Passing Neural Networks (MPNNs) are a staple of graph machine learning. MPNNs iteratively update each node's representation in an input graph by aggregating messages from the node's neighbors, which necessitates a memory complexity…

Machine Learning · Computer Science 2024-12-24 Ben Finkelshtein , İsmail İlkan Ceylan , Michael Bronstein , Ron Levie

Graph classification benchmarks, vital for assessing and developing graph neural networks (GNNs), have recently been scrutinized, as simple methods like MLPs have demonstrated comparable performance. This leads to an important question: Do…

Machine Learning · Computer Science 2024-08-14 Zhengdao Li , Yong Cao , Kefan Shuai , Yiming Miao , Kai Hwang

This paper studies Dropout Graph Neural Networks (DropGNNs), a new approach that aims to overcome the limitations of standard GNN frameworks. In DropGNNs, we execute multiple runs of a GNN on the input graph, with some of the nodes randomly…

Machine Learning · Computer Science 2021-11-12 Pál András Papp , Karolis Martinkus , Lukas Faber , Roger Wattenhofer

Message-passing graph neural networks (MPNNs) emerged as powerful tools for processing graph-structured input. However, they operate on a fixed input graph structure, ignoring potential noise and missing information. Furthermore, their…

Machine Learning · Computer Science 2024-03-27 Chendi Qian , Andrei Manolache , Kareem Ahmed , Zhe Zeng , Guy Van den Broeck , Mathias Niepert , Christopher Morris

Estimating the probabilities of linkages in a network has gained increasing interest in recent years. One popular model for network analysis is the exchangeable graph model (ExGM) characterized by a two-dimensional function known as a…

Methodology · Statistics 2018-09-05 Yi Su , Raymond K. W. Wong , Thomas C. M. Lee

Message Passing Neural Networks (MPNNs) model local relations effectively but struggle to propagate information over long distances. Graph Transformers (GTs) mitigate this via global self-attention, yet their quadratic cost in the number of…

Machine Learning · Computer Science 2025-09-03 Shuo Wang , Ge Cheng , Yun Zhang

Since the Message Passing (Graph) Neural Networks (MPNNs) have a linear complexity with respect to the number of nodes when applied to sparse graphs, they have been widely implemented and still raise a lot of interest even though their…

Machine Learning · Computer Science 2021-06-15 Muhammet Balcilar , Pierre Héroux , Benoit Gaüzère , Pascal Vasseur , Sébastien Adam , Paul Honeine

Graphons, as limit objects of dense graph sequences, play a central role in the statistical analysis of network data. However, existing graphon estimation methods often struggle with scalability to large networks and resolution-independent…

Machine Learning · Computer Science 2025-06-05 Reza Ramezanpour , Victor M. Tenorio , Antonio G. Marques , Ashutosh Sabharwal , Santiago Segarra

Output reachability and adversarial robustness are among the most relevant safety properties of neural networks. We show that in the context of Message Passing Neural Networks (MPNN), a common Graph Neural Network (GNN) model, formal…

Machine Learning · Computer Science 2022-10-05 Marco Sälzer , Martin Lange

This thesis presents a local-to-global perspective on graph neural networks (GNN), the leading architecture to process graph-structured data. After categorizing GNN into local Message Passing Neural Networks (MPNN) and global Graph…

Machine Learning · Computer Science 2023-06-21 Chen Cai

GNNs have been proven to perform highly effective in various node-level, edge-level, and graph-level prediction tasks in several domains. Existing approaches mainly focus on static graphs. However, many graphs change over time with their…

Machine Learning · Computer Science 2022-06-22 Bahareh Najafi , Saeedeh Parsaeefard , Alberto Leon-Garcia

Graph neural networks (GNNs) are important tools for transductive learning tasks, such as node classification in graphs, due to their expressive power in capturing complex interdependency between nodes. To enable graph neural network…

Machine Learning · Computer Science 2022-05-17 Man Wu , Shirui Pan , Lan Du , Xingquan Zhu

Graph Neural Networks (GNNs), despite achieving remarkable performance across different tasks, are theoretically bounded by the 1-Weisfeiler-Lehman test, resulting in limitations in terms of graph expressivity. Even though prior works on…

Machine Learning · Computer Science 2024-04-02 Quang Truong , Peter Chin