arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2402.02005cs.LG
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拓扑感知图Transformer

Topology-Informed Graph Transformer

National Institute for Mathematical Sciences(数学科学研究院);Max Planck Institute(马克斯·普朗克研究所)

Yun Young Choi, Sun Woo Park, Minho Lee, Youngho Woo

AI总结:

本研究提出拓扑感知图Transformer,通过增强图同构判别能力与整体性能,提升图神经网络在区分同构类任务中的表现。

摘要:

Transformer在自然语言处理和视觉领域中彻底改变了性能,为它们与图神经网络(GNNs)的整合铺平了道路。增强图Transformer的一个关键挑战是增强区分图同构的能力,这在提升其预测性能方面起着至关重要的作用。为了解决这一挑战,我们引入了'拓扑感知图Transformer(TIGT)',这是一种新的Transformer增强方法,既增强了检测图同构的判别能力,又提升了图Transformer的整体性能。TIGT由四个组成部分组成:一个使用基于图的循环子图的非同构通用覆盖的拓扑位置嵌入层,以确保唯一的图表示;一个双路径消息传递层,用于在编码器层中显式编码拓扑特征;一个全局注意力机制;以及一个图信息层,用于重新校准通道-wise的图特征以获得更好的特征表示。TIGT在旨在区分图同构类的合成数据集上优于之前的图Transformer。此外,数学分析和实证评估突显了我们的模型在各种基准数据集上相对于最先进的图Transformer的竞争优势。

英文摘要:

Transformers have revolutionized performance in Natural Language Processing and Vision, paving the way for their integration with Graph Neural Networks (GNNs). One key challenge in enhancing graph transformers is strengthening the discriminative power of distinguishing isomorphisms of graphs, which plays a crucial role in boosting their predictive performances. To address this challenge, we introduce 'Topology-Informed Graph Transformer (TIGT)', a novel transformer enhancing both discriminative power in detecting graph isomorphisms and the overall performance of Graph Transformers. TIGT consists of four components: A topological positional embedding layer using non-isomorphic universal covers based on cyclic subgraphs of graphs to ensure unique graph representation: A dual-path message-passing layer to explicitly encode topological characteristics throughout the encoder layers: A global attention mechanism: And a graph information layer to recalibrate channel-wise graph features for better feature representation. TIGT outperforms previous Graph Transformers in classifying synthetic dataset aimed at distinguishing isomorphism classes of graphs. Additionally, mathematical analysis and empirical evaluations highlight our model's competitive edge over state-of-the-art Graph Transformers across various benchmark datasets.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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