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We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

Machine Learning · Computer Science 2023-02-28 Zhaoning Yu , Hongyang Gao

We present a framework for solving a broad class of ill-posed inverse problems governed by partial differential equations (PDEs), where the target coefficients of the forward operator are recovered through an iterative regularization scheme…

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to…

Machine Learning · Statistics 2022-11-08 Ningyuan Huang , Soledad Villar , Carey E. Priebe , Da Zheng , Chengyue Huang , Lin Yang , Vladimir Braverman

Graph Neural Networks (GNNs) have achieved a lot of success with graph-structured data. However, it is observed that the performance of GNNs does not improve (or even worsen) as the number of layers increases. This effect has known as…

Machine Learning · Computer Science 2023-01-10 Yeskendir Koishekenov

Curvature notions on graphs provide a theoretical description of graph topology, highlighting bottlenecks and denser connected regions. Artifacts of the message passing paradigm in Graph Neural Networks, such as oversmoothing and…

Machine Learning · Computer Science 2026-02-25 Floriano Tori , Lorenzo Bini , Marco Sorbi , Stéphane Marchand-Maillet , Vincent Ginis

We present a novel model Graph Neural Stochastic Differential Equations (Graph Neural SDEs). This technique enhances the Graph Neural Ordinary Differential Equations (Graph Neural ODEs) by embedding randomness into data representation using…

Machine Learning · Computer Science 2023-08-25 Richard Bergna , Felix Opolka , Pietro Liò , Jose Miguel Hernandez-Lobato

As an alternative to classical numerical solvers for partial differential equations (PDEs) subject to boundary value constraints, there has been a surge of interest in investigating neural networks that can solve such problems efficiently.…

Machine Learning · Computer Science 2023-08-21 Winfried Lötzsch , Simon Ohler , Johannes S. Otterbach

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

Machine Learning · Computer Science 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Graph convolutional networks (GCNs) have achieved remarkable learning ability for dealing with various graph structural data recently. In general, deep GCNs do not work well since graph convolution in conventional GCNs is a special form of…

Machine Learning · Computer Science 2021-12-08 Zhilong Xiong , Jia Cai

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically,…

Machine Learning · Computer Science 2020-02-18 Keyulu Xu , Jingling Li , Mozhi Zhang , Simon S. Du , Ken-ichi Kawarabayashi , Stefanie Jegelka

The performance of graph neural nets (GNNs) is known to gradually decrease with increasing number of layers. This decay is partly attributed to oversmoothing, where repeated graph convolutions eventually make node embeddings…

Machine Learning · Computer Science 2020-02-14 Lingxiao Zhao , Leman Akoglu

Graph generation poses a significant challenge as it involves predicting a complete graph with multiple nodes and edges based on simply a given label. This task also carries fundamental importance to numerous real-world applications,…

Machine Learning · Computer Science 2024-02-21 Xiandong Zou , Xiangyu Zhao , Pietro Liò , Yiren Zhao

Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link prediction. However, most existing GNNs are designed to learn…

Machine Learning · Computer Science 2020-02-06 Seongjun Yun , Minbyul Jeong , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph Neural Networks (GNNs) extend basic Neural Networks (NNs) by additionally making use of graph structure based on the relational inductive bias (edge bias), rather than treating the nodes as collections of independent and identically…

Machine Learning · Computer Science 2023-11-07 Sitao Luan , Chenqing Hua , Qincheng Lu , Jiaqi Zhu , Xiao-Wen Chang , Doina Precup

Graphs are useful for representing various realworld objects. However, graph neural networks (GNNs) tend to suffer from over-smoothing, where the representations of nodes of different classes become similar as the number of layers…

Machine Learning · Computer Science 2024-10-22 Jun Kato , Airi Mita , Keita Gobara , Akihiro Inokuchi

Graph Neural Networks (GNNs) have emerged as the leading paradigm for solving graph analytical problems in various real-world applications. Nevertheless, GNNs could potentially render biased predictions towards certain demographic…

Machine Learning · Computer Science 2022-11-29 Yushun Dong , Song Wang , Jing Ma , Ninghao Liu , Jundong Li

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

Oversmoothing is a central challenge of building more powerful Graph Neural Networks (GNNs). While previous works have only demonstrated that oversmoothing is inevitable when the number of graph convolutions tends to infinity, in this…

Machine Learning · Computer Science 2023-03-02 Xinyi Wu , Zhengdao Chen , William Wang , Ali Jadbabaie

Graph neural networks have become a staple in problems addressing learning and analysis of data defined over graphs. However, several results suggest an inherent difficulty in extracting better performance by increasing the number of…

Machine Learning · Computer Science 2021-03-30 Diego Valsesia , Giulia Fracastoro , Enrico Magli
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