The Interpretable and Effective Graph Neural Additive Networks
Authors: Maya Bechler-Speicher, Amir Globerson, Ran Gilad-Bachrach
Organizations: Blavatnik School of Computer Science, Tel-Aviv University · Department of Bio-Medical Engineering, Edmond J. Safra Center for Bioinformatics, Tel-Aviv University
Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios where transparency is crucial. In this paper, we present a GNN that is interpretable by design. Our model, Graph Neural Additive Network (GNAN), is a novel extension of the interpretable class of Generalized Additive Models, and can be visualized and fully understood by humans. GNAN is designed to be fully interpretable, offering both global and local explanations at the feature and graph levels through direct visualization of the model. These visualizations describe exactly how the model uses the relationships between the target variable, the features, and the graph. We demonstrate the intelligibility of GNANs in a series of examples on different tasks and datasets. In addition, we show that the accuracy of GNAN is on par with black-box GNNs, making it suitable for critical applications where transparency is essential, alongside high accuracy.
Figures & tables
Figure 1: Visualization of the distance and feature functions, learned on Mutagenicity. As the features are binary, the feature functions are evaluated only on the value 1 . These plots provide an exact description of the functions’ signal processing and a global explanation of how the model uses the distances and features.
Figure 2: Visualization of products of the outputs of the distance function and the feature functions, trained on Mutagenicity. Each cell shows the exact contribution, positive or negative, of features at a certain distance to the prediction. Positive values (green) contribute to classifying a molecule as mutagenic, and negative values (red) contribute to classifying a molecule as non-mutagenic.
Figure 3: Visualization of the distance shape function learned on the PubMed dataset. As the output of the function is of dimension three, we plot it as three shape functions, one for each class. We plot them on the same figure to compare them. The shape functions show that the model uses only the local neighborhood of each node. It also shows a difference between the classes; while for type 2 diabetes, the longer the distance, the less their information is used (converges to 0), for type 1 and gestational diabetes, nodes of long-distance have a negative effect.
Figure 4: Visualization of nine features’ shape functions, learned over the PubMed dataset.
Figure 5: Visualization of the products between the outputs of the ’children’ feature function over the input range [0,1] and the outputs of the distance function, learned over the PubMed dataset.
Figure 6: Local explanations of two molecules from the Mutagenicity datasets, through visualizations of the molecules. The area of each atom corresponds to the node importance according to Equation 3 .
Model
Cornell
Tolokers
Cora
Citeseer
PubMed
ogb-arxiv
GraphConv
65.9 ± 0.5
83.5 ± 0.7
81.3 ± 1.1
75.9 ± 2.0
85.9 ± 0.5
72.4 ± 0.1
GraphSAGE
75.9 ± 5.0
82.4 ± 0.4
81.4 ± 0.7
76.4 ± 0.8
88.4 ± 0.4
71.7 ± 0.2
GIN
69.0 ± 1.3
81.0 ± 0.4
80.0 ± 1.2
77.1 ± 1.9
85.3 ± 0.9
73.8 ± 1.4
GATv2
72.5 ± 0.7
83.8 ± 1.1
83.1 ± 0.9
73.9 ± 1.5
84.4 ± 0.5
74.0 ± 2.1
GTransformer
70.5 ± 1.7
83.3 ± 0.9
80.7 ± 0.5
76.0 ± 0.9
85.3 ± 1.6
73.1 ± 0.2
FSGNN
86.0 ± 4.1
83.1 ± 0.6
83.0 ± 1.3
76.2 ± 1.3
85.0 ± 1.3
72.9 ± 1.7
Table 1: Evaluation of GNAN on node (top) and graph (bottom) tasks. The best and second-best models are marked in cyan and violet colors, respectively. We report accuracy and std for all tasks, except for the Tolokers dataset where we report ROC-AUC and std, and the μ , α , αHOMO datasets where we report MAE and std.
Appendix figures & tables8 assets
Supplementary material from the paper’s appendix.
Appendix
Figure 7:
Figure 8: Visualization of the products between the outputs of the ’fat’ feature function over the input range [0, 1] and the outputs of the distance function, learned over the PubMed dataset
Figure 9: Visualization of the products between the outputs of the ’young’ feature function over the input range [0, 1] and the outputs of the distance function, learned over the PubMed dataset
Figure 10: Visualization of the feature functions learned over the Tolokers dataset.
Figure 11: isualization of the distance shape function learned on the Tolokers dataset.
Figure 12: Visualization of the products between the outputs of the continuous feature functions over the input range [0,1] and the outputs of the distance function, learned over the Tolokers dataset.
Figure 13: Visualization of products of the outputs of the distance function and the feature functions, trained on Tolokers. Each cell shows the exact contribution, positive or negative, of features at a certain distance to the prediction. Positive values (green) contribute to classifying a toloker as ’banned’, and negative values (red) contribute to classifying a toloker as ’not banned’.
Dataset
# Graphs
Avg # Nodes
Avg # Edges
# Node Features
# Classes
Proteins [ 59 ]
1,113
39.06
72.82
3
2
NCI1 [ 59 ]
4,110
29.87
32.3
37
2
Mutagenicity [ 59 ]
4,337
30.32
30.37
7
2
PTC [ 59 ]
344
14
14
19
2
QM9 [ 60 ]
130,831
18
37.3
11
-
Cora [ 55 ]
1
2,708
10,556
1,433
7
Appendix
Table 2: Statistics of the real-world datasets used in our evaluation.
Explainable Artificial Intelligence aims to make black-box models more trustworthy by presenting, in a human-understandable manner, the elements that lead to the model's output. This involves both (i) identifying components and connections with genuine causal influence on outputs and (ii) translating such structures into an interpretable representation. For the former, we introduce CIExplainer, a novel perturbation-based method grounded in causal inference for explaining Graph Neural Networks (GNNs). CIExplainer identifies the subgraph with the highest causal effects on GNN predictions using the Potential Outcome Framework. We evaluate and compare CIExplainer on various GNN architectures (GCN, GraphSAGE, GAT, GIN) and datasets. To bridge subgraph explanations with human interpretability, we further propose G2TeXplainer, a method that transforms causal subgraphs into natural language explanations that capture both feature-level and relational information.
Francisco Caldas, Sahil Satish Kumar, Ruben Belo +1
NOVA LINCS, NOVA School of Science and Technology, Lisbon, Portugal
Graph Neural Networks (GNNs) achieve strong performance on node classification tasks but remain difficult to interpret, particularly with respect to which input features drive their predictions. Existing global GNN explainers operate at the structural level identifying recurring subgraph motifs, but none explain model behaviour globally at the level of input node attributes. We propose GRAFT, a posthoc global explanation framework that identifies class-level feature importance profiles for GNNs. The method combines diversity-guided exemplar selection, Integrated Gradients-based attribution, and aggregation to construct a global view of feature influence for each class, which can be further expressed as concise natural language rules using a large language model with self-refinement. We evaluate GRAFT across multiple datasets, architectures, and experimental settings, demonstrating its effectiveness in capturing model-relevant features, supporting bias analysis, and enabling feature-efficient transfer learning. In addition, we introduce a structured human evaluation protocol to assess the interpretability of generated rules along dimensions such as accuracy and usefulness. Our results suggest that GRAFT provides a practical and interpretable approach for analysing feature-level behaviour in GNNs, bridging quantitative attribution with human-understandable explanations.
Rishi Raj Sahoo, Subhankar Mishra
National Institute of Science Education and Research (NISER), Bhubaneswar, India · Homi Bhabha National Institute, Mumbai, India
Graph Neural Additive Networks (GNANs) have emerged as effective, interpretable-by-design architectures for graph learning. They achieve transparency by combining per-feature shape functions with simple distance-based reweighting. However, GNANs have three limitations. First, node-wise relevance scores aggregate information from all graph nodes, allowing irrelevant nodes to inherit spurious relevance from relevant ones. Second, topology is represented only through shortest-path distances, so structurally distinct graphs may share identical distance profiles. Third, feature and distance information are combined multiplicatively, entangling feature, distance, and interaction effects in a single rescalable term. We introduce AMIGA, which represents topology through a vocabulary of mined motifs and decomposes each node contribution into three additive channels: feature, structure, and feature-structure interaction. The channels are centered around a graph-balanced training baseline, making the decomposition well-defined and unique under the chosen reference distribution. Across ten graph classification and regression benchmarks, AMIGA outperforms GNAN on most datasets and narrows the gap with standard black-box GNNs. Because each channel is centered and assigned to a single node, AMIGA produces node-local explanations that reconstruct the model output exactly and support interpretation at multiple levels of granularity.
Clara Alvarez-Rodriguez, Steve Azzolin, Vincenzo Marco De Luca +3