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arXiv 2507.20349cs.LGstat.ME

从观测到因果:一种基于GNN的因果发现概率预测框架

From Observations to Causations: A GNN-based Probabilistic Prediction Framework for Causal Discovery

Department of Computer Science, UNC Charlotte, Charlotte, NC, United States(北卡罗来纳大学夏洛特分校计算机科学系)

Rezaur Rashid, Gabriel Terejanu

AI总结:

针对传统因果发现方法可扩展性差、难捕捉全局结构的问题,提出基于GNN的概率框架,学习因果图空间的概率分布,在多数据集上准确率和可扩展性均优于现有方法,助力因果结构学习。

摘要:

从观测数据中进行因果发现极具挑战性,尤其是在处理大规模数据集和复杂关系时。传统方法往往在可扩展性和捕捉全局结构信息方面存在不足。为克服这些局限,我们提出了一种基于图神经网络(GNN)的新型概率框架,该框架学习整个因果图空间上的概率分布,区别于仅输出单个确定性图的方法。\n该框架利用GNN将节点和边属性编码为统一的图表示,使模型能够直接从数据中学习复杂的因果结构。GNN模型在多样化的合成数据集上训练,数据集辅以互信息、条件熵等统计和信息论度量,可同时捕捉局部和全局数据特性。我们将因果发现构建为监督学习问题,直接预测整个图结构。\n我们的方法表现出优异性能:在合成数据集和真实世界数据集上,无需额外训练,其准确率和可扩展性均优于传统方法、近期的非GNN方法以及一种基于GNN的方法。该概率框架显著改进了因果结构学习,对各领域的决策制定和科学发现具有广泛意义。

英文摘要:

Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these limitations, we introduce a novel graph neural network (GNN)-based probabilistic framework that learns a probability distribution over the entire space of causal graphs, unlike methods that output a single deterministic graph. Our framework leverages a GNN that encodes both node and edge attributes into a unified graph representation, enabling the model to learn complex causal structures directly from data. The GNN model is trained on a diverse set of synthetic datasets augmented with statistical and information-theoretic measures, such as mutual information and conditional entropy, capturing both local and global data properties. We frame causal discovery as a supervised learning problem, directly predicting the entire graph structure. Our approach demonstrates superior performance, outperforming both traditional and recent non-GNN-based methods, as well as a GNN-based approach, in terms of accuracy and scalability on synthetic and real-world datasets without further training. This probabilistic framework significantly improves causal structure learning, with broad implications for decision-making and scientific discovery across various fields.

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