用离散扩散模型生成真实节点特征,解释异构图神经网络决策。
Discrete Diffusion-Based Model-Level Explanation of Heterogeneous GNNs with Node Features
- 基于离散扩散模型合成真实节点特征,突破传统连续空间限制。
- 在多数据集上生成的解释更贴近实际,且忠实于模型预测结果。
- 适合需要可解释性的异构图任务,如虚假新闻检测与分子属性预测。
许多现实世界数据集(如引文网络、社交网络、分子结构)天然表现为异构图,其中节点属于不同类型并带有额外特征。例如,在引文网络中,“论文”或“作者”节点可能包含关键词或所属机构等属性。在这些图上进行节点分类是一项关键机器学习任务,可用于虚假新闻检测、企业风险评估和分子性质预测。尽管异构图神经网络(HGNNs)表现良好,但其预测过程仍不透明。现有事后解释方法通常仅支持节点类型的 one-hot 编码,无法处理实际节点特征,且难以生成真实可信的解释。为解决这一问题,我们提出 DiGNNExplainer,一种模型级解释方法,通过离散去噪扩散过程合成具有真实节点特征的异构图。具体而言,我们在离散空间中利用扩散模型生成真实离散特征(如词袋特征),而以往方法仅限于连续空间。我们在多个数据集上评估该方法,结果显示,DiGNNExplainer 生成的解释在真实性和忠实性方面均优于当前最优方法。
原文摘要 · Abstract (English)
Many real-world datasets, such as citation networks, social networks, and molecular structures, are naturally represented as heterogeneous graphs, where nodes belong to different types and have additional features. For example, in a citation network, nodes representing "Paper" or "Author" may include attributes like keywords or affiliations. A critical machine learning task on these graphs is node classification, which is useful for applications such as fake news detection, corporate risk assessment, and molecular property prediction. Although Heterogeneous Graph Neural Networks (HGNNs) perform well in these contexts, their predictions remain opaque. Existing post-hoc explanation methods lack support for actual node features beyond one-hot encoding of node type and often fail to generate realistic, faithful explanations. To address these gaps, we propose DiGNNExplainer, a model-level explanation approach that synthesizes heterogeneous graphs with realistic node features via discrete denoising diffusion. In particular, we generate realistic discrete features (e.g., bag-of-words features) using diffusion models within a discrete space, whereas previous approaches are limited to continuous spaces. We evaluate our approach on multiple datasets and show that DiGNNExplainer produces explanations that are realistic and faithful to the model's decision-making, outperforming state-of-the-art methods.
Thank you to arXiv for use of its open access interoperability. PaperDance 不是 arXiv 官方产品;中文卡片由大模型生成,请以原文为准。