Improving the Expressiveness of $K$-hop Message-Passing GNNs by Injecting Contextualized Substructure Information
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arXiv
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| Hauptverfasser: | , , , |
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| Format: | Preprint |
| Veröffentlicht: |
2024
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| _version_ | 1866929402148814848 |
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| author | Yao, Tianjun Wang, Yiongxu Zhang, Kun Liang, Shangsong |
| author_facet | Yao, Tianjun Wang, Yiongxu Zhang, Kun Liang, Shangsong |
| contents | Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive power of standard GNNs are equivalent maximally to 1-dimensional Weisfeiler-Lehman (1-WL) Test. Recently, there is a line of works aiming to enhance the expressive power of graph neural networks. One line of such works aim at developing $K$-hop message-passing GNNs where node representation is updated by aggregating information from not only direct neighbors but all neighbors within $K$-hop of the node. Another line of works leverages subgraph information to enhance the expressive power which is proven to be strictly more powerful than 1-WL test. In this work, we discuss the limitation of $K$-hop message-passing GNNs and propose \textit{substructure encoding function} to uplift the expressive power of any $K$-hop message-passing GNN. We further inject contextualized substructure information to enhance the expressiveness of $K$-hop message-passing GNNs. Our method is provably more powerful than previous works on $K$-hop graph neural networks and 1-WL subgraph GNNs, which is a specific type of subgraph based GNN models, and not less powerful than 3-WL. Empirically, our proposed method set new state-of-the-art performance or achieves comparable performance for a variety of datasets. Our code is available at \url{https://github.com/tianyao-aka/Expresive_K_hop_GNNs}. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2406_19244 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Improving the Expressiveness of $K$-hop Message-Passing GNNs by Injecting Contextualized Substructure Information Yao, Tianjun Wang, Yiongxu Zhang, Kun Liang, Shangsong Machine Learning I.2.6 Graph neural networks (GNNs) have become the \textit{de facto} standard for representational learning in graphs, and have achieved state-of-the-art performance in many graph-related tasks; however, it has been shown that the expressive power of standard GNNs are equivalent maximally to 1-dimensional Weisfeiler-Lehman (1-WL) Test. Recently, there is a line of works aiming to enhance the expressive power of graph neural networks. One line of such works aim at developing $K$-hop message-passing GNNs where node representation is updated by aggregating information from not only direct neighbors but all neighbors within $K$-hop of the node. Another line of works leverages subgraph information to enhance the expressive power which is proven to be strictly more powerful than 1-WL test. In this work, we discuss the limitation of $K$-hop message-passing GNNs and propose \textit{substructure encoding function} to uplift the expressive power of any $K$-hop message-passing GNN. We further inject contextualized substructure information to enhance the expressiveness of $K$-hop message-passing GNNs. Our method is provably more powerful than previous works on $K$-hop graph neural networks and 1-WL subgraph GNNs, which is a specific type of subgraph based GNN models, and not less powerful than 3-WL. Empirically, our proposed method set new state-of-the-art performance or achieves comparable performance for a variety of datasets. Our code is available at \url{https://github.com/tianyao-aka/Expresive_K_hop_GNNs}. |
| title | Improving the Expressiveness of $K$-hop Message-Passing GNNs by Injecting Contextualized Substructure Information |
| topic | Machine Learning I.2.6 |
| url | https://arxiv.org/abs/2406.19244 |