unibasis
How Universal Polynomial Bases Enhance Spectral Graph Neural Networks: Heterophily, Over-smoothing, and Over-squashing
Huang, Keke, Wang, Yu Guang, Li, Ming, Liò, and Pietro
Spectral Graph Neural Networks (GNNs), alternatively known as graph filters, have gained increasing prevalence for heterophily graphs. Optimal graph filters rely on Laplacian eigendecomposition for Fourier transform. In an attempt to avert prohibitive computations, numerous polynomial filters have been proposed. However, polynomials in the majority of these filters are predefined and remain fixed across different graphs, failing to accommodate the varying degrees of heterophily. Addressing this gap, we demystify the intrinsic correlation between the spectral property of desired polynomial bases and the heterophily degrees via thorough theoretical analyses. Subsequently, we develop a novel adaptive heterophily basis wherein the basis vectors mutually form angles reflecting the heterophily degree of the graph. We integrate this heterophily basis with the homophily basis to construct a universal polynomial basis UniBasis, which devises a polynomial filter based graph neural network - UniFilter. It optimizes the convolution and propagation in GNN, thus effectively limiting over-smoothing and alleviating over-squashing. Our extensive experiments, conducted on a diverse range of real-world and synthetic datasets with varying degrees of heterophily, support the superiority of UniFilter. These results not only demonstrate the universality of UniBasis but also highlight its proficiency in graph explanation.
- Europe > United Kingdom > England > Cambridgeshire > Cambridge (0.14)
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An Effective Universal Polynomial Basis for Spectral Graph Neural Networks
Spectral Graph Neural Networks (GNNs), also referred to as graph filters have gained increasing prevalence for heterophily graphs. Optimal graph filters rely on Laplacian eigendecomposition for Fourier transform. In an attempt to avert the prohibitive computations, numerous polynomial filters by leveraging distinct polynomials have been proposed to approximate the desired graph filters. However, polynomials in the majority of polynomial filters are predefined and remain fixed across all graphs, failing to accommodate the diverse heterophily degrees across different graphs. To tackle this issue, we first investigate the correlation between polynomial bases of desired graph filters and the degrees of graph heterophily via a thorough theoretical analysis. Afterward, we develop an adaptive heterophily basis by incorporating graph heterophily degrees. Subsequently, we integrate this heterophily basis with the homophily basis, creating a universal polynomial basis UniBasis. In consequence, we devise a general polynomial filter UniFilter. Comprehensive experiments on both real-world and synthetic datasets with varying heterophily degrees significantly support the superiority of UniFilter, demonstrating the effectiveness and generality of UniBasis, as well as its promising capability as a new method for graph analysis.
- Europe > United Kingdom > England > Cambridgeshire > Cambridge (0.14)
- Europe > United Kingdom > England > Oxfordshire > Oxford (0.04)
- Asia > Singapore (0.04)