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Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more…

Machine Learning · Computer Science 2023-06-02 Anton Tsitsulin , John Palowitch , Bryan Perozzi , Emmanuel Müller

Graph Neural Networks (GNNs) have attracted considerable attention and have emerged as a new promising paradigm to process graph-structured data. GNNs are usually stacked to multiple layers and the node representations in each layer are…

Machine Learning · Computer Science 2020-09-25 Yihao Chen , Xin Tang , Xianbiao Qi , Chun-Guang Li , Rong Xiao

Graph pooling is a family of operations which take graphs as input and produce shrinked graphs as output. Modern graph pooling methods are trainable and, in general inserted in Graph Neural Networks (GNNs) architectures as graph shrinking…

Machine Learning · Computer Science 2024-12-05 Yizhu Chen

Graph neural networks have emerged as a leading architecture for many graph-level tasks, such as graph classification and graph generation. As an essential component of the architecture, graph pooling is indispensable for obtaining a…

Machine Learning · Computer Science 2023-06-23 Chuang Liu , Yibing Zhan , Jia Wu , Chang Li , Bo Du , Wenbin Hu , Tongliang Liu , Dacheng Tao

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

Machine Learning · Computer Science 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Graph pooling is a central component of a myriad of graph neural network (GNN) architectures. As an inheritance from traditional CNNs, most approaches formulate graph pooling as a cluster assignment problem, extending the idea of local…

Machine Learning · Computer Science 2020-10-23 Diego Mesquita , Amauri H. Souza , Samuel Kaski

Graph neural networks (GNNs) are emerging in chemical engineering for the end-to-end learning of physicochemical properties based on molecular graphs. A key element of GNNs is the pooling function which combines atom feature vectors into…

Machine Learning · Computer Science 2024-01-17 Artur M. Schweidtmann , Jan G. Rittig , Jana M. Weber , Martin Grohe , Manuel Dahmen , Kai Leonhard , Alexander Mitsos

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating…

Machine Learning · Computer Science 2023-05-29 Ziang Chen , Jialin Liu , Xinshang Wang , Jianfeng Lu , Wotao Yin

Graph Neural Networks (GNNs) have recently caught great attention and achieved significant progress in graph-level applications. In this paper, we propose a framework for graph neural networks with multiresolution Haar-like wavelets, or…

Machine Learning · Computer Science 2021-01-26 Xuebin Zheng , Bingxin Zhou , Ming Li , Yu Guang Wang , Junbin Gao

Graph Neural Networks (GNNs) are powerful tools for graph classification. One important operation for GNNs is the downsampling or pooling that can learn effective embeddings from the node representations. In this paper, we propose a new…

Machine Learning · Computer Science 2024-05-17 Zhehan Zhao , Lu Bai , Lixin Cui , Ming Li , Yue Wang , Lixiang Xu , Edwin R. Hancock

Graph Convolutional Neural Networks (GCNN) are becoming a preferred model for data processing on irregular domains, yet their analysis and principles of operation are rarely examined due to the black box nature of NNs. To this end, we…

Machine Learning · Computer Science 2021-08-25 Ljubisa Stankovic , Danilo Mandic

Graph pooling is a crucial operation for encoding hierarchical structures within graphs. Most existing graph pooling approaches formulate the problem as a node clustering task which effectively captures the graph topology. Conventional…

Artificial Intelligence · Computer Science 2023-10-12 Sung Moon Ko , Sungjun Cho , Dae-Woong Jeong , Sehui Han , Moontae Lee , Honglak Lee

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Machine Learning · Computer Science 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Graph neural networks (GNNs) extends the functionality of traditional neural networks to graph-structured data. Similar to CNNs, an optimized design of graph convolution and pooling is key to success. Borrowing ideas from physics, we…

Machine Learning · Computer Science 2022-01-12 Zheng Ma , Junyu Xuan , Yu Guang Wang , Ming Li , Pietro Lio

While graph heterophily has been extensively studied in recent years, a fundamental research question largely remains nascent: How and to what extent will graph heterophily affect the prediction performance of graph neural networks (GNNs)?…

Machine Learning · Computer Science 2023-06-27 Shuaicheng Zhang , Haohui Wang , Si Zhang , Dawei Zhou

Graph Neural Network (GNN) research has concentrated on improving convolutional layers, with little attention paid to developing graph pooling layers. Yet pooling layers can enable GNNs to reason over abstracted groups of nodes instead of…

Machine Learning · Computer Science 2019-05-28 Frederik Diehl

Graph neural networks (GNNs) have revolutionized the field of machine learning on non-Euclidean data such as graphs and networks. GNNs effectively implement node representation learning through neighborhood aggregation and achieve…

Machine Learning · Computer Science 2024-04-30 Zehao Dong , Muhan Zhang , Yixin Chen

This paper investigates the relationship between graph convolution and Mixup techniques. Graph convolution in a graph neural network involves aggregating features from neighboring samples to learn representative features for a specific node…

We propose a deep Graph Neural Network (GNN) model that alternates two types of layers. The first type is inspired by Reservoir Computing (RC) and generates new vertex features by iterating a non-linear map until it converges to a fixed…

Machine Learning · Computer Science 2021-04-13 Filippo Maria Bianchi , Claudio Gallicchio , Alessio Micheli