arXiv:2601.18917cs.LG2026-01

将图学习中的结构推断问题统一为逆问题,提供通用框架与评测标准。

GraIP: A Benchmarking Framework For Neural Graph Inverse Problems

  • 把图结构恢复看作反向求解生成过程的逆问题。
  • 在重连、因果发现等任务上验证框架有效性。
  • 适合从事图神经网络与结构学习的研究者参考。

众多图学习任务,如结构发现、时序图分析和组合优化,关注的是从数据中推断图结构,而非对给定图进行预测。然而,解决这些任务的方法通常以孤立、任务特定的方式发展,缺乏统一的理论基础。为此,本文提出神经图逆问题(GraIP)概念框架,将一大类图学习任务形式化为逆问题。不同于直接从输入图预测目标变量的判别方法,GraIP范式依赖观测数据,通过反转产生观测输出的前向过程(如消息传递或网络动力学)来恢复潜在图结构。我们在多个图学习任务中展示了GraIP的通用性,包括图重连、因果发现和神经关系推理。同时,针对每个考虑的GraIP领域,我们提出了基准数据集和评估指标,并对现有基线方法进行了系统表征与实证评估。总体而言,该统一视角连接了看似不同的应用,为受限和组合设定下的结构学习提供了原则性方法,推动了不同图逆问题间方法的交叉融合。

原文摘要 · Abstract (English)

A wide range of graph learning tasks, such as structure discovery, temporal graph analysis, and combinatorial optimization, focus on inferring graph structures from data, rather than making predictions on given graphs. However, the respective methods to solve such problems are often developed in an isolated, task-specific manner and thus lack a unifying theoretical foundation. Here, we provide a stepping stone towards the formation of such a foundation and further development by introducing the Neural Graph Inverse Problem (GraIP) conceptual framework, which formalizes and reframes a broad class of graph learning tasks as inverse problems. Unlike discriminative approaches that directly predict target variables from given graph inputs, the GraIP paradigm addresses inverse problems, i.e., it relies on observational data and aims to recover the underlying graph structure by reversing the forward process, such as message passing or network dynamics, that produced the observed outputs. We demonstrate the versatility of GraIP across various graph learning tasks, including rewiring, causal discovery, and neural relational inference. We also propose benchmark datasets and metrics for each GraIP domain considered, and characterize and empirically evaluate existing baseline methods used to solve them. Overall, our unifying perspective bridges seemingly disparate applications and provides a principled approach to structural learning in constrained and combinatorial settings while encouraging cross-pollination of existing methods across graph inverse problems.

图学习逆问题结构推断基准测试

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