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Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk

Graph neural architecture search (GraphNAS) has recently aroused considerable attention in both academia and industry. However, two key challenges seriously hinder the further research of GraphNAS. First, since there is no consensus for the…

Machine Learning · Computer Science 2024-03-12 Yijian Qin , Ziwei Zhang , Xin Wang , Zeyang Zhang , Wenwu Zhu

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

We propose a novel graph pooling operation using cliques as the unit pool. As this approach is purely topological, rather than featural, it is more readily interpretable, a better analogue to image coarsening than filtering or pruning…

Machine Learning · Computer Science 2019-04-10 Enxhell Luzhnica , Ben Day , Pietro Lio'

Graph neural networks have attracted wide attentions to enable representation learning of graph data in recent works. In complement to graph convolution operators, graph pooling is crucial for extracting hierarchical representation of graph…

Machine Learning · Computer Science 2020-06-22 Xing Gao , Wenrui Dai , Chenglin Li , Hongkai Xiong , Pascal Frossard

Deep learning methods for graphs have seen rapid progress in recent years with much focus awarded to generalising Convolutional Neural Networks (CNN) to graph data. CNNs are typically realised by alternating convolutional and pooling layers…

Machine Learning · Computer Science 2020-06-04 Yaniv Shulman

In graph neural networks (GNNs), pooling operators compute local summaries of input graphs to capture their global properties, and they are fundamental for building deep GNNs that learn hierarchical representations. In this work, we propose…

Machine Learning · Computer Science 2024-04-23 Filippo Maria Bianchi , Daniele Grattarola , Lorenzo Livi , Cesare Alippi

Graph neural networks (GNNs) have been successfully applied to learning representation on graphs in many relational tasks. Recently, researchers study neural architecture search (NAS) to reduce the dependence of human expertise and explore…

Machine Learning · Computer Science 2021-09-06 Shaofei Cai , Liang Li , Xinzhe Han , Zheng-jun Zha , Qingming Huang

Graph Neural Networks (GNNs) have achieved strong performance across a range of graph representation learning tasks, yet their adversarial robustness in graph classification remains underexplored compared to node classification. While most…

Machine Learning · Computer Science 2025-10-28 Sofiane Ennadir , Oleg Smirnov , Yassine Abbahaddou , Lele Cao , Johannes F. Lutzeyer

Graph Neural Architecture Search (GNAS) has achieved superior performance on various graph-structured tasks. However, existing GNAS studies overlook the applications of GNAS in resource-constraint scenarios. This paper proposes to design a…

Machine Learning · Computer Science 2024-06-25 Beini Xie , Heng Chang , Ziwei Zhang , Zeyang Zhang , Simin Wu , Xin Wang , Yuan Meng , Wenwu Zhu

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

Graph neural architecture search has received a lot of attention as Graph Neural Networks (GNNs) has been successfully applied on the non-Euclidean data recently. However, exploring all possible GNNs architectures in the huge search space…

Machine Learning · Computer Science 2021-12-08 Jiamin Chen , Jianliang Gao , Yibo Chen , Oloulade Babatounde Moctard , Tengfei Lyu , Zhao Li

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro

Graph neural networks (GNN) have been proven to be mature enough for handling graph-structured data on node-level graph representation learning tasks. However, the graph pooling technique for learning expressive graph-level representation…

Machine Learning · Computer Science 2021-04-14 Ning Liu , Songlei Jian , Dongsheng Li , Yiming Zhang , Zhiquan Lai , Hongzuo Xu

Graph Machine Learning often involves the clustering of nodes based on similarity structure encoded in the graph's topology and the nodes' attributes. On homophilous graphs, the integration of pooling layers has been shown to enhance the…

Machine Learning · Computer Science 2024-07-08 Amy Feng , Melanie Weber

Deep Graph Neural Networks (GNNs) are useful models for graph classification and graph-based regression tasks. In these tasks, graph pooling is a critical ingredient by which GNNs adapt to input graphs of varying size and structure. We…

Machine Learning · Computer Science 2020-06-25 Yu Guang Wang , Ming Li , Zheng Ma , Guido Montufar , Xiaosheng Zhuang , Yanan Fan

Graph pooling has been increasingly recognized as crucial for Graph Neural Networks (GNNs) to facilitate hierarchical graph representation learning. Existing graph pooling methods commonly consist of two stages: selecting top-ranked nodes…

Machine Learning · Computer Science 2023-11-22 Chuang Liu , Wenhang Yu , Kuang Gao , Xueqi Ma , Yibing Zhan , Jia Wu , Bo Du , Wenbin Hu

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 neural architecture search (GraphNAS) has demonstrated advantages in mitigating performance degradation of graph neural networks (GNNs) due to distribution shifts. Recent approaches introduce weight sharing across tailored…

Machine Learning · Computer Science 2025-03-07 Qiyi Wang , Yinning Shao , Yunlong Ma , Min Liu

Graphs are fundamental data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which involve predicting properties or labels for entire graphs,…

Machine Learning · Computer Science 2026-04-10 Haoyang Li , Yuming Xu , Alexander Zhou , Yongqi Zhang , Jason Chen Zhang , Lei Chen , Qing Li