arXiv:2506.04765cs.LG2025-06被引 2

构建首个图变压器综合评测基准,揭示其适用场景与设计优劣。

OpenGT: A Comprehensive Benchmark For Graph Transformers

  • 统一实验设置,对比主流图注意力模型性能
  • 发现局部注意力受限、位置编码有适用边界
  • 适合研究图神经网络设计的学者与开发者

图变压器(GTs)在多个领域展现出卓越性能,通过注意力机制建模长程依赖与复杂结构关系。然而,其适用场景仍不明确,且相较于依赖消息传递的GNNs,GTs在位置编码、注意力机制和图特化设计方面存在多样选择,但哪些设计真正有效尚不清楚。当前社区缺乏全面的评测基准与工具库。为此,本文提出OpenGT,一个涵盖多种任务与数据集的图变压器综合评测基准,支持公平比较与多维度分析。通过大量实验,发现模型跨任务迁移困难、局部注意力存在局限、部分模型效率权衡明显,特定位置编码适用场景各异,某些编码还带来预处理开销。我们已开源易用的OpenGT库,支持现有模型训练与评估,代码见https://github.com/eaglelab-zju/OpenGT。本工作旨在推动图变压器研究向公平性、可复现性与泛化性发展。

原文摘要 · Abstract (English)

Graph Transformers (GTs) have recently demonstrated remarkable performance across diverse domains. By leveraging attention mechanisms, GTs are capable of modeling long-range dependencies and complex structural relationships beyond local neighborhoods. However, their applicable scenarios are still underexplored, this highlights the need to identify when and why they excel. Furthermore, unlike GNNs, which predominantly rely on message-passing mechanisms, GTs exhibit a diverse design space in areas such as positional encoding, attention mechanisms, and graph-specific adaptations. Yet, it remains unclear which of these design choices are truly effective and under what conditions. As a result, the community currently lacks a comprehensive benchmark and library to promote a deeper understanding and further development of GTs. To address this gap, this paper introduces OpenGT, a comprehensive benchmark for Graph Transformers. OpenGT enables fair comparisons and multidimensional analysis by establishing standardized experimental settings and incorporating a broad selection of state-of-the-art GNNs and GTs. Our benchmark evaluates GTs from multiple perspectives, encompassing diverse tasks and datasets with varying properties. Through extensive experiments, our benchmark has uncovered several critical insights, including the difficulty of transferring models across task levels, the limitations of local attention, the efficiency trade-offs in several models, the application scenarios of specific positional encodings, and the preprocessing overhead of some positional encodings. We aspire for this work to establish a foundation for future graph transformer research emphasizing fairness, reproducibility, and generalizability. We have developed an easy-to-use library OpenGT for training and evaluating existing GTs. The benchmark code is available at https://github.com/eaglelab-zju/OpenGT.

图神经网络注意力机制评测基准

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