Concept Graph Convolutions: Message Passing in the Concept Space

The reasoning process of Graph Neural Networks is complex and considered opaque, limiting trust in their predictions. To alleviate this issue, prior work has proposed concept-based explanations, extracted from clusters in the model's node embeddings. However, a limitation of concept-based explanations is that they only explain the node embedding space and are obscured by pooling in graph classification. To mitigate this issue and provide a deeper level of understanding, we propose the Subgraph Concept Network. The Subgraph Concept Network is the first graph neural network architecture that distils subgraph and graph-level concepts. It achieves this by performing soft clustering on node concept embeddings to derive subgraph and graph-level concepts. Our results show that the Subgraph Concept Network allows to obtain competitive model accuracy, while discovering meaningful concepts at different levels of the network.

Concept Bottleneck Models (CBMs) provide an intrinsically interpretable alternative to post-hoc explanations. However, existing CBMs often rely on predefined concept vocabularies or supervised annotations, lack explicit concept grounding, and summarize each concept with a single image-level score -- discarding spatial recurrence and inter-concept dependencies. We propose a Graph-based Concept Bottleneck Model (G-CBM), an intrinsically interpretable framework that performs unsupervised concept discovery via Non-negative Matrix Factorization (NMF) and represents the discovered concepts as nodes in a per-image concept-graph representation. G-CBM matches region-level features to these concept nodes -- providing concept grounding and capturing concept recurrence across the image -- and applies a \emph{tunable concept filtering threshold} $τ$ to suppress weak region-level features. A Graph Attention Network (GAT) then performs concept-level reasoning by modeling nonlinear dependencies across nodes. Across ImageNet, HAM10000, PH2, and Derm7pt, G-CBM achieves an average relative AUC improvement of 3.7% over a ResNet-50 baseline. Concept filtering frequently improves predictive performance while inducing selective concept use, achieving peak AUC of $0.96$ on PH2 with only 2 of 10 concepts and 0.92 on HAM10000 with 3.8 of 9 concepts. On dermoscopy benchmarks, G-CBM is competitive with supervised approaches requiring external annotations. Deletion/insertion analyses with random ablation controls show that the learned concept ranking faithfully reflects model predictions.

We propose the Tikhonov layer, a graph neural network layer that is interpretable by design: once trained, its learned parameters directly reveal which node features and which aspects of the graph topology were leveraged for prediction. In practice, the layer's propagation matrix takes the closed-form $R = (p(L)+Q)^{-1} Q$, where $L$ is the normalized graph Laplacian, $Q = diag(q_1,...,q_n)$ a learnable diagonal matrix of positive node-importance scores, and $p(\cdot)$ a learnable polynomial. For any input feature $x$, the layer output $Rx$ is the exact minimizer of a generalized graph Tikhonov problem that trades off node-level data fidelity against a topology-driven regularization penalty. The learned pair $\{\{q_i\},p\}$ constitutes a built-in explanation: large $q_i$ indicates that node $i$'s own features drive the prediction, while small $q_i$ signals reliance on the local graph topology; the shape of $p$ reveals whether homophily, heterophily, or a band-pass response is exploited. Expressivity is preserved by routing complexity through a dedicated, arbitrarily deep Q-network that produces the importance scores, while the Tikhonov layer itself remains transparent. We prove that distinct node-importance matrices yield distinct propagation operators, structurally coupling the explanation to the computation. Additionally, the Tikhonov layer provides, in a single layer, a global receptive field, mitigating both oversmoothing and oversquashing. Experiments on standard graph classification benchmarks confirm that the model matches (and sometimes outperforms) opaque baselines while producing interpretable and faithful explanations.