arXiv:2506.08309cs.LGcs.AI2025-06ICML被引 10

提出可学习的时空位置编码,提升链接预测在动态图上的表现。

Learnable Spatial-Temporal Positional Encoding for Link Prediction

  • 设计可学习的时空位置编码,融合结构与时间特征。
  • 在13个数据集上超越10种算法,大尺度基准测试领先。
  • 无需注意力机制,效率高,适合大规模动态图应用。

准确的链接预测依赖于图神经网络等图深度学习框架的表达能力,其中位置编码机制在最新研究中愈发关键。然而现有方法存在三大局限:(1) 多数使用预定义、固定的函数,难以适应复杂属性图;(2) 少数可学习编码仅关注结构信息,未考虑真实世界的时间演化拓扑与特征;(3) 多数方法依赖变压器的密集注意力机制,在大规模结构化数据上开销过大。为此,我们提出一种高效且有效的可学习时空位置编码模型 L-STEP。该模型从时空谱视角证明其能保持图属性,验证MLP可充分挖掘编码表达力并达到变压器性能,通过不同初始编码输入验证鲁棒性,分析理论复杂度并实测运行时间低于当前最优方法。在13个经典数据集上,使用3种采样策略,在归纳与直推设置下均优于10种算法;在最新的大规模TGB基准测试中也取得领先。代码已开源。

原文摘要 · Abstract (English)

Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art works to record the canonical position information. However, the current positional encoding is limited in three aspects: (1) most positional encoding methods use pre-defined, and fixed functions, which are inadequate to adapt to the complex attributed graphs; (2) a few pioneering works proposed the learnable positional encoding but are still limited to the structural information, not considering the real-world time-evolving topological and feature information; (3) most positional encoding methods are equipped with transformers' attention mechanism to fully leverage their capabilities, where the dense or relational attention is often unaffordable on large-scale structured data. Hence, we aim to develop Learnable Spatial-Temporal Positional Encoding in an effective and efficient manner and propose a simple temporal link prediction model named L-STEP. Briefly, for L-STEP, we (1) prove the proposed positional learning scheme can preserve the graph property from the spatial-temporal spectral viewpoint, (2) verify that MLPs can fully exploit the expressiveness and reach transformers' performance on that encoding, (3) change different initial positional encoding inputs to show robustness, (4) analyze the theoretical complexity and obtain less empirical running time than SOTA, and (5) demonstrate its temporal link prediction out-performance on 13 classic datasets and with 10 algorithms in both transductive and inductive settings using 3 different sampling strategies. Also, L-STEP obtains the leading performance in the newest large-scale TGB benchmark. Our code is available at https://github.com/kthrn22/L-STEP.

链接预测时空建模图神经网络可学习编码

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