# Exact Computation of Any-Order Shapley Interactions for Graph Neural Networks

arXiv: https://arxiv.org/abs/2501.16944 · HTML: https://mlsanity.com/paper/2501.16944/

## Key facts

- Cited by 13 papers in the map (data through 14 Oct 2026).
- Builds on 53 of its 86 references that are in the map.
- First posted on arXiv 28 Jan 2025.

## Builds on (most cited first, 30 of 53)

- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Graph Attention Networks](https://mlsanity.com/paper/1710.10903/) (2017)
- [A Unified Approach to Interpreting Model Predictions](https://mlsanity.com/paper/1705.07874/) (2017)
- [How Powerful are Graph Neural Networks?](https://mlsanity.com/paper/1810.00826/) (2018)
- [Neural Message Passing for Quantum Chemistry](https://mlsanity.com/paper/1704.01212/) (2017)
- [Axiomatic Attribution for Deep Networks](https://mlsanity.com/paper/1703.01365/) (2017)
- [Fast Graph Representation Learning with PyTorch Geometric](https://mlsanity.com/paper/1903.02428/) (2019)
- [Learning to Simulate Complex Physics with Graph Networks](https://mlsanity.com/paper/2002.09405/) (2020)
- [GNNExplainer: Generating Explanations for Graph Neural Networks](https://mlsanity.com/paper/1903.03894/) (2019)
- [TUDataset: A collection of benchmark datasets for learning with graphs](https://mlsanity.com/paper/2007.08663/) (2020)
- [Data Shapley: Equitable Valuation of Data for Machine Learning](https://mlsanity.com/paper/1904.02868/) (2019)
- [Fooling LIME and SHAP: Adversarial Attacks on Post hoc Explanation Methods](https://mlsanity.com/paper/1911.02508/) (2019)
- [Parameterized Explainer for Graph Neural Network](https://mlsanity.com/paper/2011.04573/) (2020)
- [Explainability in Graph Neural Networks: A Taxonomic Survey](https://mlsanity.com/paper/2012.15445/) (2020)
- [The many Shapley values for model explanation](https://mlsanity.com/paper/1908.08474/) (2019)
- [On Explainability of Graph Neural Networks via Subgraph Explorations](https://mlsanity.com/paper/2102.05152/) (2021)
- [A Fair Comparison of Graph Neural Networks for Graph Classification](https://mlsanity.com/paper/1912.09893/) (2019)
- [Explaining by Removing: A Unified Framework for Model Explanation](https://mlsanity.com/paper/2011.14878/) (2020)
- [PGM-Explainer: Probabilistic Graphical Model Explanations for Graph Neural Networks](https://mlsanity.com/paper/2010.05788/) (2020)
- [Explaining individual predictions when features are dependent: More accurate approximations to Shapley values](https://mlsanity.com/paper/1903.10464/) (2019)
- [Design Space for Graph Neural Networks](https://mlsanity.com/paper/2011.08843/) (2020)
- [Feature relevance quantification in explainable AI: A causal problem](https://mlsanity.com/paper/1910.13413/) (2019)
- [Improving KernelSHAP: Practical Shapley Value Estimation via Linear Regression](https://mlsanity.com/paper/2012.01536/) (2020)
- [Interpreting Graph Neural Networks for NLP With Differentiable Edge Masking](https://mlsanity.com/paper/2010.00577/) (2020)
- [The Shapley Taylor Interaction Index](https://mlsanity.com/paper/1902.05622/) (2019)
- [Higher-Order Explanations of Graph Neural Networks via Relevant Walks](https://mlsanity.com/paper/2006.03589/) (2020)
- [FastSHAP: Real-Time Shapley Value Estimation](https://mlsanity.com/paper/2107.07436/) (2021)
- [Algorithms to estimate Shapley value feature attributions](https://mlsanity.com/paper/2207.07605/) (2022)
- [L-Shapley and C-Shapley: Efficient Model Interpretation for Structured Data](https://mlsanity.com/paper/1808.02610/) (2018)
- [Trustworthy Graph Neural Networks: Aspects, Methods and Trends](https://mlsanity.com/paper/2205.07424/) (2022)

## Built on by (most cited first, 13 of 13)

- [SHAP Meets Tensor Networks: Provably Tractable Explanations with Parallelism](https://mlsanity.com/paper/2510.21599/) (2025)
- [PolySHAP: Extending KernelSHAP with Interaction-Informed Polynomial Regression](https://mlsanity.com/paper/2601.18608/) (2026)
- [Explaining Similarity in Vision-Language Encoders with Weighted Banzhaf Interactions](https://mlsanity.com/paper/2508.05430/) (2025)
- [An Odd Estimator for Shapley Values](https://mlsanity.com/paper/2602.01399/) (2026)
- [Exactly Computing do-Shapley Values](https://mlsanity.com/paper/2602.07203/) (2026)
- [QGShap: Quantum Acceleration for Faithful GNN Explanations](https://mlsanity.com/paper/2512.03099/) (2025)
- [Explaining Synergistic Effects in Social Recommendations](https://mlsanity.com/paper/2601.18151/) (2026)
- [ConfoundingSHAP: Quantifying confounding strength in causal inference](https://mlsanity.com/paper/2605.10533/) (2026)
- [Verified SHAP: Provable Bounds for Exact Shapley Values of Neural Networks](https://mlsanity.com/paper/2605.24084/) (2026)
- [TN-SHAP-G: Graph-Structured Tensor Network Surrogates for Shapley Values and Interactions](https://mlsanity.com/paper/2606.01540/) (2026)
- [LLM Features Can Hurt GNNs: Concatenation Interference on Homophilous Graph Benchmarks](https://mlsanity.com/paper/2606.17579/) (2026)
- [OperatorSHAP: Fast and Accurate Shapley Value Estimation for Neural Operators](https://mlsanity.com/paper/2606.28065/) (2026)
- [Beyond Trained Models: Compiling GNNs for a Sound Explainer Benchmark](https://mlsanity.com/paper/2610.03526/) (2026)

## Abstract (arXiv)

Albeit the ubiquitous use of Graph Neural Networks (GNNs) in machine learning (ML) prediction tasks involving graph-structured data, their interpretability remains challenging. In explainable artificial intelligence (XAI), the Shapley Value (SV) is the predominant method to quantify contributions of individual features to a ML model's output. Addressing the limitations of SVs in complex prediction models, Shapley Interactions (SIs) extend the SV to groups of features. In this work, we explain single graph predictions of GNNs with SIs that quantify node contributions and interactions among multiple nodes. By exploiting the GNN architecture, we show that the structure of interactions in node embeddings are preserved for graph prediction. As a result, the exponential complexity of SIs depends only on the receptive fields, i.e. the message-passing ranges determined by the connectivity of the graph and the number of convolutional layers. Based on our theoretical results, we introduce GraphSHAP-IQ, an efficient approach to compute any-order SIs exactly. GraphSHAP-IQ is applicable to popular message passing techniques in conjunction with a linear global pooling and output layer. We showcase that GraphSHAP-IQ substantially reduces the exponential complexity of computing exact SIs on multiple benchmark datasets. Beyond exact computation, we evaluate GraphSHAP-IQ's approximation of SIs on popular GNN architectures and compare with existing baselines. Lastly, we visualize SIs of real-world water distribution networks and molecule structures using a SI-Graph.