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Graph neural networks (GNNs) are powerful machine learning models for various graph learning tasks. Recently, the limitations of the expressive power of various GNN models have been revealed. For example, GNNs cannot distinguish some…

Machine Learning · Computer Science 2021-01-19 Ryoma Sato , Makoto Yamada , Hisashi Kashima

Graph Neural Networks (GNNs) have shown remarkable performance on graph-structured data. However, recent empirical studies suggest that GNNs are very susceptible to distribution shift. There is still significant ambiguity about why…

Machine Learning · Computer Science 2023-06-07 Qi Zhu , Yizhu Jiao , Natalia Ponomareva , Jiawei Han , Bryan Perozzi

This paper studies the relationship between a graph neural network (GNN) and a manifold neural network (MNN) when the graph is constructed from a set of points sampled from the manifold, thus encoding geometric information. We consider…

Machine Learning · Computer Science 2023-06-29 Zhiyang Wang , Luana Ruiz , Alejandro Ribeiro

A powerful framework for studying graphs is to consider them as geometric graphs: nodes are randomly sampled from an underlying metric space, and any pair of nodes is connected if their distance is less than a specified neighborhood radius.…

Machine Learning · Computer Science 2022-11-28 Raffaele Paolino , Aleksandar Bojchevski , Stephan Günnemann , Gitta Kutyniok , Ron Levie

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph…

Quantum Physics · Physics 2022-10-20 Slimane Thabet , Romain Fouilland , Loic Henriet

Entity interaction prediction is essential in many important applications such as chemistry, biology, material science, and medical science. The problem becomes quite challenging when each entity is represented by a complex structure,…

Machine Learning · Computer Science 2021-04-13 Hanchen Wang , Defu Lian , Ying Zhang , Lu Qin , Xuemin Lin

Graphons, as limits of graph sequences, provide an operator-theoretic framework for analyzing the asymptotic behavior of graph neural operators. Spectral convergence of sampled graphs to graphons induces convergence of the corresponding…

Machine Learning · Statistics 2026-05-26 Roxanne Holden , Luana Ruiz

While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity…

Machine Learning · Computer Science 2021-08-20 Xiang Ling , Lingfei Wu , Saizhuo Wang , Tengfei Ma , Fangli Xu , Alex X. Liu , Chunming Wu , Shouling Ji

Starting from a stochastic individual-based description of an SIS epidemic spreading on a random network, we study the dynamics when the size $n$ of the network tends to infinity. We recover in the limit an infinite-dimensional…

Graphene nanoribbons (GNRs) are atomically precise stripes of graphene with tunable electronic properties, making them promising for room-temperature switching applications like field-effect transistors (FETs). However, challenges persist…

Despite the wide application of Graph Convolutional Network (GCN), one major limitation is that it does not benefit from the increasing depth and suffers from the oversmoothing problem. In this work, we first characterize this phenomenon…

This paper studies the Laplacian spectrum and the average effective resistance of (large) graphs that are sampled from graphons. Broadly speaking, our main finding is that the Laplacian eigenvalues of a large dense graph can be effectively…

Probability · Mathematics 2020-12-03 Renato Vizuete , Federica Garin , Paolo Frasca

Neural networks, a central tool in machine learning, have demonstrated remarkable, high fidelity performance on image recognition and classification tasks. These successes evince an ability to accurately represent high dimensional…

Machine Learning · Statistics 2023-02-08 Grant M. Rotskoff , Eric Vanden-Eijnden

Graph Neural Networks (GNNs) combine node attributes over a fixed granularity of the local graph structure around a node to predict its label. However, different nodes may relate to a node-level property with a different granularity of its…

Machine Learning · Computer Science 2025-06-19 Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Srijan Kumar , Mahashweta Das

In the theory of dense graph limits, a graphon is a symmetric measurable function $W:[0,1]^2\to [0,1]$. Each graphon gives rise naturally to a random graph distribution, denoted $\mathbb{G}(n,W)$, that can be viewed as a generalization of…

Combinatorics · Mathematics 2019-03-13 Gweneth McKinley

In this paper we study the stability properties of aggregation graph neural networks (Agg-GNNs) considering perturbations of the underlying graph. An Agg-GNN is a hybrid architecture where information is defined on the nodes of a graph, but…

Machine Learning · Computer Science 2023-08-24 Alejandro Parada-Mayorga , Zhiyang Wang , Fernando Gama , Alejandro Ribeiro

Generalization and approximation capabilities of message passing graph neural networks (MPNNs) are often studied by defining a compact metric on a space of input graphs under which MPNNs are H\"older continuous. Such analyses are of two…

Machine Learning · Computer Science 2026-02-10 Ofek Amran , Tom Gilat , Ron Levie

Interacting particle systems are in frequent use to model collective behaviour in various situations and applications. For many systems, the interaction between the agents is restricted to an underlying network structure and often, the…

Analysis of PDEs · Mathematics 2025-07-30 Sebastian Throm

Factorization machine (FM) is a prevalent approach to modeling pairwise (second-order) feature interactions when dealing with high-dimensional sparse data. However, on the one hand, FM fails to capture higher-order feature interactions…

Machine Learning · Computer Science 2025-02-24 Shu Wu , Zekun Li , Yunyue Su , Zeyu Cui , Xiaoyu Zhang , Liang Wang

We study an interacting particle system whose dynamics depends on an interacting random environment. As the number of particles grows large, the transition rate of the particles slows down (perhaps because they share a common resource of…

Probability · Mathematics 2009-02-16 Charles Bordenave , David McDonald , Alexandre Proutiere