用统一方程梳理200多种图神经网络结构,让设计更透明。
Unifying Graph Neural Networks Through a Common Layer Equation

- 提出七组件通用层方程,分离信息流动与内容。
- 覆盖局部消息传递、注意力、谱滤波等七大架构族。
- 支持组件级对比与新结构生成,揭示过平滑等机制。
图神经网络通常用家族特异性方程描述,其符号掩盖了共享计算与结构差异。本文提出一个通用层方程,涵盖七种组件:更新域、通道集、传播库、通道级消息映射、通道融合算子、自环/残差映射及更新映射。核心分解将信息移动位置(由传播库编码)与移动内容(由消息映射编码)分离。函数值填充使同一方程可扩展至局部消息传递、注意力、谱滤波、全局通信、关系特异通道、高阶域及几何消息。通过典型层的显式约化和跨七类非互斥架构的组件分配,验证该统一性。固定槽位规则按计算角色分配操作,界定框架覆盖边界。分解还带来组件级理论洞察:在端点局部消息与节点局部更新下,算子支撑界定了单层依赖范围;单层全局混合需在假设下具备完整有效算子行。该框架组织超过200种架构于共同设计空间,支持组件级比较与结构一致的新架构生成,并关联传播选择与过平滑、过挤压、异质性及表达能力。同时揭示了从可观测图与任务属性反推可信组件选择的实证逆问题。
原文摘要 · Abstract (English)
Graph neural networks are commonly described through family-specific equations whose notation obscures shared computations and structural differences. We introduce a common layer equation that represents covered architectures through seven components: an update domain, channel set, propagation bank, per-channel message maps, channel-fusion operator, ego/residual map, and update map. The central factorization separates where information moves, encoded by the propagation bank, from what moves, encoded by the message maps. Function-valued fillings extend the same equation across local message passing, attention, spectral filtering, global communication, relation-specific channels, higher-order domains, and geometric messages. We make this unification explicit and checkable through worked reductions of canonical layers and component assignments spanning seven nonexclusive architectural families. A fixed slot discipline assigns operations by computational role and defines the framework's coverage boundary. The decomposition also yields component-level theoretical insights: under endpoint-local messages and node-local updates, operator support bounds one-layer dependencies, and one-layer global mixing requires a full effective operator row under the stated hypotheses. The resulting framework organizes more than 200 architectures in a common design space, enables component-wise comparison and generation of structurally consistent architectures, and connects propagation choices to oversmoothing, oversquashing, heterophily, and expressivity. It further exposes the empirical inverse problem of mapping measurable graph and task properties to validated component choices.
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