arXiv:2601.22593cs.LG2026-01

跨异构图联合推理与可解释性,通过元图对齐实现统一建模。

Heterogeneous Graph Alignment for Joint Reasoning and Interpretability

  • 用图Transformer将多图映射到共享隐空间,构建功能对齐的元图。
  • 在神经科学数据上表现优于现有模型,图级预测准确率提升显著。
  • 元图结构自带可解释性,适合需理解图间关联的研究者使用。

多图学习对于从异构图集合中提取有意义信号至关重要。然而,在拓扑、规模和语义差异大且缺乏共享节点身份的情况下,有效整合跨图信息仍是重大挑战。我们提出多图元变压器(MGMT),一种统一、可扩展且可解释的跨图学习框架。MGMT首先使用图Transformer编码器处理每张图,将结构与属性映射到共享隐空间;随后通过注意力机制选择任务相关的超节点,并基于隐空间中的相似性构建连接跨图功能对齐超节点的元图;在该元图上进一步应用图Transformer层,实现对图内与图间结构的联合推理。元图提供内置可解释性:超节点与超边凸显关键子结构与跨图对齐关系。在合成数据集和真实世界神经科学应用中评估,MGMT在图级预测任务中持续优于现有最先进模型,同时提供可解释表示,助力科学发现。本工作确立MGMT为结构化多图学习的统一框架,推动图数据主导领域表征技术的发展。

原文摘要 · Abstract (English)

Multi-graph learning is crucial for extracting meaningful signals from collections of heterogeneous graphs. However, effectively integrating information across graphs with differing topologies, scales, and semantics, often in the absence of shared node identities, remains a significant challenge. We present the Multi-Graph Meta-Transformer (MGMT), a unified, scalable, and interpretable framework for cross-graph learning. MGMT first applies Graph Transformer encoders to each graph, mapping structure and attributes into a shared latent space. It then selects task-relevant supernodes via attention and builds a meta-graph that connects functionally aligned supernodes across graphs using similarity in the latent space. Additional Graph Transformer layers on this meta-graph enable joint reasoning over intra- and inter-graph structure. The meta-graph provides built-in interpretability: supernodes and superedges highlight influential substructures and cross-graph alignments. Evaluating MGMT on both synthetic datasets and real-world neuroscience applications, we show that MGMT consistently outperforms existing state-of-the-art models in graph-level prediction tasks while offering interpretable representations that facilitate scientific discoveries. Our work establishes MGMT as a unified framework for structured multi-graph learning, advancing representation techniques in domains where graph-based data plays a central role.

图神经网络多图学习可解释性神经科学

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