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Unsupervised Hierarchical Graph Pooling via Substructure-Sensitive Mutual Information Maximization

Published: 17 October 2022 Publication History

Abstract

Graph pooling plays a vital role in learning graph embeddings. Due to the lack of label information, unsupervised graph pooling has received much attention, primarily via mutual information (MI). However, most existing MI-based pooling methods only preserve node features while overlooking the hierarchical substructural information. In this paper, we propose SMIP, a novel unsupervised hierarchical graph pooling method based on substructure-sensitive MI maximization. SMIP reconstructs a hard-style substructure encoder based on cluster-based pooling paradigm, and trains it with two substructure-sensitive MI-based objectives, i.e., node-substructure MI and node-node MI. The node-substructure MI guides to transfer maximum node feature information into corresponded substructures and the node-node MI guarantees a more accurate node allocation. Moreover, to avoid extra computation of augmented graphs and prevent noise information during MI estimation, we propose a local-scope contrastive MI estimation method, making SMIP more potent in capturing intrinsic features of the input graph. Experiments on six benchmark graph classification datasets demonstrate that our hierarchical deep learning approach outperforms all state-of-the-art unsupervised GNN-based methods and even surpasses the performance of nine supervised ones. Generalization study shows that the proposed substructure-sensitive MI objective can be successfully embedded into other cluster-based pooling methods to improve their performance.

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  • (2024)Hierarchical Multiview Top-k Pooling With Deep-Q-NetworksIEEE Transactions on Artificial Intelligence10.1109/TAI.2023.33342615:6(2985-2996)Online publication date: Jun-2024
  • (2024)Graph pooling in graph neural networks: methods and their applications in omics studiesArtificial Intelligence Review10.1007/s10462-024-10918-957:11Online publication date: 16-Sep-2024
  • (2023)Graph pooling for graph neural networksProceedings of the Thirty-Second International Joint Conference on Artificial Intelligence10.24963/ijcai.2023/752(6712-6722)Online publication date: 19-Aug-2023
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    cover image ACM Conferences
    CIKM '22: Proceedings of the 31st ACM International Conference on Information & Knowledge Management
    October 2022
    5274 pages
    ISBN:9781450392365
    DOI:10.1145/3511808
    • General Chairs:
    • Mohammad Al Hasan,
    • Li Xiong
    Permission to make digital or hard copies of all or part of this work for personal or classroom use is granted without fee provided that copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. Copyrights for components of this work owned by others than ACM must be honored. Abstracting with credit is permitted. To copy otherwise, or republish, to post on servers or to redistribute to lists, requires prior specific permission and/or a fee. Request permissions from [email protected]

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    Published: 17 October 2022

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    1. graph pooling
    2. unsupervised graph representation learning

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    • (2024)Hierarchical Multiview Top-k Pooling With Deep-Q-NetworksIEEE Transactions on Artificial Intelligence10.1109/TAI.2023.33342615:6(2985-2996)Online publication date: Jun-2024
    • (2024)Graph pooling in graph neural networks: methods and their applications in omics studiesArtificial Intelligence Review10.1007/s10462-024-10918-957:11Online publication date: 16-Sep-2024
    • (2023)Graph pooling for graph neural networksProceedings of the Thirty-Second International Joint Conference on Artificial Intelligence10.24963/ijcai.2023/752(6712-6722)Online publication date: 19-Aug-2023
    • (2023)Improving Graph Domain Adaptation with Network HierarchyProceedings of the 32nd ACM International Conference on Information and Knowledge Management10.1145/3583780.3614928(2249-2258)Online publication date: 21-Oct-2023
    • (2023)HSGCL-DTA: Hybrid-scale Graph Contrastive Learning based Drug-Target Binding Affinity Prediction2023 IEEE 35th International Conference on Tools with Artificial Intelligence (ICTAI)10.1109/ICTAI59109.2023.00142(947-954)Online publication date: 6-Nov-2023
    • (2023)An Unsupervised Graph Embedding Method Based on Dynamic Graph Attention Networks and Infomax for Link Prediction2023 8th International Conference on Data Science in Cyberspace (DSC)10.1109/DSC59305.2023.00065(409-415)Online publication date: 18-Aug-2023

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