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Specformer: Spectral Graph Neural Networks Meet Transformers

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arxiv 2303.01028 v1 pith:5XB3M3KW submitted 2023-03-02 cs.LG cs.AIcs.SI

Specformer: Spectral Graph Neural Networks Meet Transformers

classification cs.LG cs.AIcs.SI
keywords spectralgraphspecformerfiltersgnnsdatasetslearnablenetworks
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Spectral graph neural networks (GNNs) learn graph representations via spectral-domain graph convolutions. However, most existing spectral graph filters are scalar-to-scalar functions, i.e., mapping a single eigenvalue to a single filtered value, thus ignoring the global pattern of the spectrum. Furthermore, these filters are often constructed based on some fixed-order polynomials, which have limited expressiveness and flexibility. To tackle these issues, we introduce Specformer, which effectively encodes the set of all eigenvalues and performs self-attention in the spectral domain, leading to a learnable set-to-set spectral filter. We also design a decoder with learnable bases to enable non-local graph convolution. Importantly, Specformer is equivariant to permutation. By stacking multiple Specformer layers, one can build a powerful spectral GNN. On synthetic datasets, we show that our Specformer can better recover ground-truth spectral filters than other spectral GNNs. Extensive experiments of both node-level and graph-level tasks on real-world graph datasets show that our Specformer outperforms state-of-the-art GNNs and learns meaningful spectrum patterns. Code and data are available at https://github.com/bdy9527/Specformer.

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Cited by 9 Pith papers

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