arXiv:2601.02241stat.MLcs.LG2026-01

用神经网络实现图数据的快速贝叶斯推断,解决复杂依赖和规模变化难题。

From Mice to Trains: Amortized Bayesian Inference on Graph Data

  • 采用双模块架构:图编码器提取不变特征,神经网络估计后验分布
  • 在合成数据与真实生物、物流数据上均实现参数准确恢复与良好校准
  • 适用于节点、边、图级别参数推断,支持不同规模稀疏图

图数据广泛存在于生物、化学、社交网络、信息网络以及交通物流等领域。对图结构数据进行推断需方法具备置换不变性、可扩展性,并能捕捉复杂长程依赖,使得图参数后验估计尤为困难。基于模拟的消融贝叶斯推断(Amortized Bayesian Inference, ABI)利用生成神经网络实现快速、无需似然函数的后验推断。本文将ABI拓展至图数据,以实现节点级、边级和图级参数的推断。方法采用置换不变图编码器与灵活神经后验估计器构成两阶段流程:摘要网络将带属性图映射为固定长度表示,推理网络近似参数后验分布。本文评估多种神经架构在可控合成数据及两个真实场景(生物、物流)中的表现,重点考察参数恢复精度与后验校准效果。

原文摘要 · Abstract (English)

Graphs arise across diverse domains, from biology and chemistry to social and information networks, as well as in transportation and logistics. Inference on graph-structured data requires methods that are permutation-invariant, scalable across varying sizes and sparsities, and capable of capturing complex long-range dependencies, making posterior estimation on graph parameters particularly challenging. Amortized Bayesian Inference (ABI) is a simulation-based framework that employs generative neural networks to enable fast, likelihood-free posterior inference. We adapt ABI to graph data to address these challenges to perform inference on node-, edge-, and graph-level parameters. Our approach couples permutation-invariant graph encoders with flexible neural posterior estimators in a two-module pipeline: a summary network maps attributed graphs to fixed-length representations, and an inference network approximates the posterior over parameters. In this setting, several neural architectures can serve as the summary network. In this work we evaluate multiple architectures and assess their performance on controlled synthetic settings and two real-world domains - biology and logistics - in terms of recovery and calibration.

贝叶斯推断图神经网络后验估计神经推理

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