Subgraph Concept Networks: Concept Levels in Graph Classification

The trust in the predictions of Graph Neural Networks is limited by their opaque reasoning process. Prior methods have tried to explain graph networks via concept-based explanations extracted from the latent representations obtained after message passing. However, these explanations fall short of explaining the message passing process itself. To this aim, we propose the Concept Graph Convolution, the first graph convolution designed to operate on node-level concepts for improved interpretability. The proposed convolutional layer performs message passing on a combination of raw and concept representations using structural and attention-based edge weights. We also propose a pure variant of the convolution, only operating in the concept space. Our results show that the Concept Graph Convolution allows to obtain competitive task accuracy, while enabling an increased insight into the evolution of concepts across convolutional steps.

Instance-level explanations aim to reveal the rationale behind a model's decisions for a specific graph. Previous methods explain graph neural networks (GNNs) by selecting important edges to induce subgraphs, where edge importance is assessed by perturbing each edge and observing changes in the model predictions. However, they often neglect the synergistic effects among edges, which are crucial for accurately characterizing edge importance. To address this issue, we propose SeeExplainer, a parameter-free explainer to interpret GNNs. Specifically, we first introduce a granular-ball graph refinement mechanism that decomposes a graph into several disjoint granular-balls with no fixed size, and utilize them as nodes to construct a structural graph. This process can better capture the synergistic effects among edges. Then, we perturb nodes and edges in the structural graph to generate explanatory subgraphs based on their respective contributions. Experiments on several graph classification datasets of different networks show that SeeExplainer outperforms state-of-the-art baselines.

Explaining graph neural networks (GNNs) has become more and more important recently. Higher-order interpretation schemes, such as GNN-LRP (layer-wise relevance propagation for GNN), emerged as powerful tools for unraveling how different features interact thereby contributing to explaining GNNs. GNN-LRP gives a relevance attribution of walks between nodes at each layer, and the subgraph attribution is expressed as a sum over exponentially many such walks. In this work, we demonstrate that such exponential complexity can be avoided. In particular, we propose novel algorithms that enable to attribute subgraphs with GNN-LRP in linear-time (w.r.t. the network depth). Our algorithms are derived via message passing techniques that make use of the distributive property, thereby directly computing quantities for higher-order explanations. We further adapt our efficient algorithms to compute a generalization of subgraph attributions that also takes into account the neighboring graph features. Experimental results show the significant acceleration of the proposed algorithms and demonstrate the high usefulness and scalability of our novel generalized subgraph attribution method.