GSpect: Spectral Filtering for Cross-Scale Graph Classification

Xiaoyu Zhang, Wenchuan Yang, Jiawei Feng, Bitao Dai, Tianci Bu, Xin Lu
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Abstract

Identifying structures in common forms the basis for networked systems design and optimization. However, real structures represented by graphs are often of varying sizes, leading to the low accuracy of traditional graph classification methods. These graphs are called cross-scale graphs. To overcome this limitation, in this study, we propose GSpect, an advanced spectral graph filtering model for cross-scale graph classification tasks. Compared with other methods, we use graph wavelet neural networks for the convolution layer of the model, which aggregates multi-scale messages to generate graph representations. We design a spectral-pooling layer which aggregates nodes to one node to reduce the cross-scale graphs to the same size. We collect and construct the cross-scale benchmark data set, MSG (Multi Scale Graphs). Experiments reveal that, on open data sets, GSpect improves the performance of classification accuracy by 1.62% on average, and for a maximum of 3.33% on PROTEINS. On MSG, GSpect improves the performance of classification accuracy by 15.55% on average. GSpect fills the gap in cross-scale graph classification studies and has potential to provide assistance in application research like diagnosis of brain disease by predicting the brain network's label and developing new drugs with molecular structures learned from their counterparts in other systems.
GSpect:跨尺度图分类的频谱过滤
识别共同结构是网络系统设计和优化的基础。然而,图所代表的实际结构通常大小不一,导致传统图分类方法的准确性较低。这些图被称为跨尺度图。为了克服这一限制,我们在本研究中提出了用于跨尺度图分类任务的高级谱图过滤模型 GSpect。与其他方法相比,我们在模型的卷积层中使用了图小波神经网络,它可以聚合多尺度信息以生成图表示。我们设计了一个光谱池层,它可以将节点聚合到一个节点,从而将跨尺度图缩小到相同大小。我们收集并构建了跨尺度基准数据集 MSG(多尺度图)。实验表明,在开放数据集上,GSpect 平均提高了 1.62% 的分类准确率,在 PROTEINS 上最高提高了 3.33%。在 MSG 上,GSpect 平均提高了 15.55% 的分类准确率。GSpect 填补了跨尺度图分类研究的空白,有望为应用研究提供帮助,如通过预测大脑网络的标签诊断脑部疾病,以及利用从其他系统中学习到的分子结构开发新药。
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