提出多图共存的GNN模型,解决非交换算子下的稳定与迁移问题。
Graph neural networks and non-commuting operators
- 设计图元组神经网络(GtNN),支持多个非交换图算子并行处理
- 证明在图序列收敛时,所有GtNN均具备通用可迁移性,无非可迁移能量
- 理论适用于多模态图数据,为复杂图学习提供数学保障
图神经网络(GNN)在多种顶点预测任务中表现优异,其核心是图卷积层构成的信息传递归纳偏置。当存在多个共享顶点集的图且需联合学习时,标准GNN面临非交换算子的挑战。本文提出图元组神经网络(GtNN),建模多个不交换图算子的协同作用。通过非交换非扩张算子的性质,建立了GtNN的稳定性与可迁移性理论。进一步发展了图核元组神经网络的极限理论,证明在图元组序列收敛下,所有GtNN均具备通用可迁移性,不存在不可迁移的能量。该结果将经典GNN可迁移性定理拓展至多图场景,并对单图情况亦有严格改进。实验在合成与真实数据上验证了理论,同时推导出可保证模型稳定的训练方法。
原文摘要 · Abstract (English)
Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful inductive bias for describing the flow of information among the vertices. Often, more than one data modality is available. This work considers a setting in which several graphs have the same vertex set and a common vertex-level learning task. This generalizes standard GNN models to GNNs with several graph operators that do not commute. We may call this model graph-tuple neural networks (GtNN). In this work, we develop the mathematical theory to address the stability and transferability of GtNNs using properties of non-commuting non-expansive operators. We develop a limit theory of graphon-tuple neural networks and use it to prove a universal transferability theorem that guarantees that all graph-tuple neural networks are transferable on convergent graph-tuple sequences. In particular, there is no non-transferable energy under the convergence we consider here. Our theoretical results extend well-known transferability theorems for GNNs to the case of several simultaneous graphs (GtNNs) and provide a strict improvement on what is currently known even in the GNN case. We illustrate our theoretical results with simple experiments on synthetic and real-world data. To this end, we derive a training procedure that provably enforces the stability of the resulting model.
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