IMPO: Interpretable Memory-based Prototypical Pooling.

Graph Neural Networks (GNNs) have proven their effectiveness in various graph-structured data applications. However, one of the significant challenges in the realm of GNNs is representation learning, a critical concept that bridges graph pooling, aimed at creating compressed graph representations, and explainable artificial intelligence, which focuses on building models with transparent reasoning mechanisms. This research paper introduces a novel approach called Interpretable Memory-based Prototypical Pooling (IMPO) to address this challenge. IMPO is a graph pooling layer designed to enhance the interpretability of GNNs while maintaining high performance in graph classification tasks. It builds upon the MemPool algorithm and incorporates prototypical components to cluster nodes around class-aware centroids. This approach allows IMPO to selectively aggregate relevant substructures, paving the way for generating more interpretable graph representations. The experimental results in our study underscore the potential of pooling architectures in constructing inherently explainable GNNs. Notably, IMPO achieves state-of-the-art results in both classification and explanatory capacities across a diverse set of graph classification datasets.