Feature Correlation Aggregation: on the Path to Better Graph Neural Networks

Prior to the introduction of Graph Neural Networks (GNNs), modeling and analyzing irregular data, particularly graphs, was thought to be the Achilles’ heel of deep learning. The core concept of GNNs is to find a representation by recursively aggregating the representations of a central node and those of its neighbors. The core concept of GNNs is to find a representation by recursively aggregating the representations of a central node and those of its neighbor, and its success has been demonstrated by many GNNs’ designs. However, most of them only focus on using the first-order information between a node and its neighbors. In this paper, we introduce a central node permutation variant function through a frustratingly simple and innocent-looking modification to the core operation of a GNN, namely the Feature cOrrelation aGgregation (FOG) module which learns the second-order information from feature correlation between a node and its neighbors in the pipeline. By adding FOG into existing variants of GNNs, we empirically verify 1 this second-order information complements the features generated by original GNNs across a broad set of benchmarks. A tangible boost in performance of the model is observed where the model surpasses previous state-of-the-art results by a significant margin while employing fewer parameters. (e.g., 33.116% improvement on a real-world molecular dataset using graph *Corresponding author. 1The source code is available at https://github.com/ Anonymous/FOG convolutional networks).

[1]  Subhransu Maji,et al.  Improved Bilinear Pooling with CNNs , 2017, BMVC.

[2]  Xavier Bresson,et al.  Benchmarking Graph Neural Networks , 2020, ArXiv.

[3]  Li Fei-Fei,et al.  ImageNet: A large-scale hierarchical image database , 2009, CVPR.

[4]  Sergey Ioffe,et al.  Batch Normalization: Accelerating Deep Network Training by Reducing Internal Covariate Shift , 2015, ICML.

[5]  Max Welling,et al.  Semi-Supervised Classification with Graph Convolutional Networks , 2016, ICLR.

[6]  Daniel R. Figueiredo,et al.  struc2vec: Learning Node Representations from Structural Identity , 2017, KDD.

[7]  Pietro Perona,et al.  Microsoft COCO: Common Objects in Context , 2014, ECCV.

[8]  Jian Sun,et al.  Deep Residual Learning for Image Recognition , 2015, 2016 IEEE Conference on Computer Vision and Pattern Recognition (CVPR).

[9]  Byoung-Tak Zhang,et al.  Bilinear Attention Networks , 2018, NeurIPS.

[10]  Samuel S. Schoenholz,et al.  Neural Message Passing for Quantum Chemistry , 2017, ICML.

[11]  Xiaogang Wang,et al.  End-to-End Deep Kronecker-Product Matching for Person Re-identification , 2018, 2018 IEEE/CVF Conference on Computer Vision and Pattern Recognition.

[12]  Byron Boots,et al.  Differentiable MPC for End-to-end Planning and Control , 2018, NeurIPS.

[13]  Subhransu Maji,et al.  Bilinear CNN Models for Fine-Grained Visual Recognition , 2015, 2015 IEEE International Conference on Computer Vision (ICCV).

[14]  John J. Irwin,et al.  ZINC 15 – Ligand Discovery for Everyone , 2015, J. Chem. Inf. Model..

[15]  Joan Bruna,et al.  Deep Convolutional Networks on Graph-Structured Data , 2015, ArXiv.

[16]  Lars Petersson,et al.  Bilinear Attention Networks for Person Retrieval , 2019, 2019 IEEE/CVF International Conference on Computer Vision (ICCV).

[17]  Pinar Yanardag,et al.  Deep Graph Kernels , 2015, KDD.

[18]  Fatih Murat Porikli,et al.  Region Covariance: A Fast Descriptor for Detection and Classification , 2006, ECCV.

[19]  Cao Xiao,et al.  FastGCN: Fast Learning with Graph Convolutional Networks via Importance Sampling , 2018, ICLR.

[20]  Xavier Bresson,et al.  Residual Gated Graph ConvNets , 2017, ArXiv.

[21]  Joan Bruna,et al.  Few-Shot Learning with Graph Neural Networks , 2017, ICLR.

[22]  Oriol Vinyals,et al.  Matching Networks for One Shot Learning , 2016, NIPS.

[23]  Jure Leskovec,et al.  Inductive Representation Learning on Large Graphs , 2017, NIPS.

[24]  F. Scarselli,et al.  A new model for learning in graph domains , 2005, Proceedings. 2005 IEEE International Joint Conference on Neural Networks, 2005..

[25]  Lukasz Kaiser,et al.  Attention is All you Need , 2017, NIPS.

[26]  Jure Leskovec,et al.  How Powerful are Graph Neural Networks? , 2018, ICLR.

[27]  Junzhou Huang,et al.  Adaptive Sampling Towards Fast Graph Representation Learning , 2018, NeurIPS.

[28]  Xavier Bresson,et al.  Convolutional Neural Networks on Graphs with Fast Localized Spectral Filtering , 2016, NIPS.

[29]  Fatih Murat Porikli,et al.  Human Detection via Classification on Riemannian Manifolds , 2007, 2007 IEEE Conference on Computer Vision and Pattern Recognition.