提出稀疏注意力机制,提升图Transformer在长距离依赖任务中的性能与鲁棒性。
SFi-Former: Sparse Flow Induced Attention for Graph Transformer
- 设计基于网络流能量函数的稀疏注意力,通过l1正则化学习关键连接模式。
- 在长程依赖图数据上表现更优,尤其在LRGB基准上达到当前最佳(SOTA)。
- 减少过拟合,通用性更强,适合处理结构复杂或数据量小的图任务。
图Transformer(GTs)在处理具有长距离依赖关系的图数据时,相较于传统消息传递图神经网络表现出更优性能。然而,由于采用密集注意力机制,GTs常面临归纳偏置弱、过拟合和过度全局化等问题。本文提出SFi-attention,一种新型注意力机制,通过最小化基于网络流的能量函数并引入l1范数正则化,实现稀疏模式的学习,缓解上述问题。进一步地,构建SFi-Former模型,利用SFi-attention生成超越原始邻接矩阵的稀疏网络流,实现对其他节点特征的选择性聚合。实验结果表明,SFi-Former在多个图数据集上表现优异,尤其在包含长距离依赖的LongRange Graph Benchmark(LRGB)数据集上达到当前最优(SOTA)性能;同时,模型展现出更小的泛化差距,表明其抗过拟合能力更强。
原文摘要 · Abstract (English)
Graph Transformers (GTs) have demonstrated superior performance compared to traditional message-passing graph neural networks in many studies, especially in processing graph data with long-range dependencies. However, GTs tend to suffer from weak inductive bias, overfitting and over-globalizing problems due to the dense attention. In this paper, we introduce SFi-attention, a novel attention mechanism designed to learn sparse pattern by minimizing an energy function based on network flows with l1-norm regularization, to relieve those issues caused by dense attention. Furthermore, SFi-Former is accordingly devised which can leverage the sparse attention pattern of SFi-attention to generate sparse network flows beyond adjacency matrix of graph data. Specifically, SFi-Former aggregates features selectively from other nodes through flexible adaptation of the sparse attention, leading to a more robust model. We validate our SFi-Former on various graph datasets, especially those graph data exhibiting long-range dependencies. Experimental results show that our SFi-Former obtains competitive performance on GNN Benchmark datasets and SOTA performance on LongRange Graph Benchmark (LRGB) datasets. Additionally, our model gives rise to smaller generalization gaps, which indicates that it is less prone to over-fitting. Click here for codes.
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