Graph Neural Networks (GNNs) have shown satisfying performance in various graph analytical problems. Hence, they have become the de facto solution in a variety of decision-making scenarios. However, GNNs could yield biased results against certain demographic subgroups. Some recent works have empirically shown that the biased structure of the input network is a significant source of bias for GNNs. Nevertheless, no studies have systematically scrutinized which part of the input network structure leads to biased predictions for any given node. The low transparency on how the structure of the input network influences the bias in GNN outcome largely limits the safe adoption of GNNs in various decision-critical scenarios. In this paper, we study a novel research problem of structural explanation of bias in GNNs. Specifically, we propose a novel post-hoc explanation framework to identify two edge sets that can maximally account for the exhibited bias and maximally contribute to the fairness level of the GNN prediction for any given node, respectively. Such explanations not only provide a comprehensive understanding of bias/fairness of GNN predictions but also have practical significance in building an effective yet fair GNN model. Extensive experiments on real-world datasets validate the effectiveness of the proposed framework towards delivering effective structural explanations for the bias of GNNs. Open-source code can be found at https://github.com/yushundong/REFEREE.
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This content will become publicly available on October 31, 2024
Faithful and Consistent Graph Neural Network Explanations with Rationale Alignment
Uncovering rationales behind predictions of graph neural networks (GNNs) has received increasing attention over recent years. Instance-level GNN explanation aims to discover critical input elements, such as nodes or edges, that the target GNN relies upon for making predictions. Though various algorithms are proposed, most of them formalize this task by searching the minimal subgraph, which can preserve original predictions. However, an inductive bias is deep-rooted in this framework: Several subgraphs can result in the same or similar outputs as the original graphs. Consequently, they have the danger of providing spurious explanations and failing to provide consistent explanations. Applying them to explain weakly performed GNNs would further amplify these issues. To address this problem, we theoretically examine the predictions of GNNs from the causality perspective. Two typical reasons for spurious explanations are identified: confounding effect of latent variables like distribution shift and causal factors distinct from the original input. Observing that both confounding effects and diverse causal rationales are encoded in internal representations,
- Award ID(s):
- 1909702
- NSF-PAR ID:
- 10483368
- Publisher / Repository:
- ACM
- Date Published:
- Journal Name:
- ACM Transactions on Intelligent Systems and Technology
- Volume:
- 14
- Issue:
- 5
- ISSN:
- 2157-6904
- Page Range / eLocation ID:
- 1 to 23
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs. GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models and explaining predictions made by GNNs remains unsolved. Here we propose GNNEXPLAINER, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNEXPLAINER identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN’s prediction. Further, GNNEXPLAINER can generate consistent and concise explanations for an entire class of instances. We formulate GNNEXPLAINER as an optimization task that maximizes the mutual information between a GNN’s prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms alternative baseline approaches by up to 43.0% in explanation accuracy. GNNEXPLAINER provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.more » « less
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Abstract Motivation The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through graph neural networks (GNNs). Both atoms and bonds significantly affect the chemical properties of a molecule, so an expressive model ought to exploit both node (atom) and edge (bond) information simultaneously. Inspired by this observation, we explore the multi-view modeling with GNN (MVGNN) to form a novel paralleled framework, which considers both atoms and bonds equally important when learning molecular representations. In specific, one view is atom-central and the other view is bond-central, then the two views are circulated via specifically designed components to enable more accurate predictions. To further enhance the expressive power of MVGNN, we propose a cross-dependent message-passing scheme to enhance information communication of different views. The overall framework is termed as CD-MVGNN.
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Availability and implementation The code and data underlying this work are available in GitHub at https://github.com/uta-smile/CD-MVGNN.
Supplementary information Supplementary data are available at Bioinformatics online.
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There has been significant progress in improving the performance of graph neural networks (GNNs) through enhancements in graph data, model architecture design, and training strategies. For fairness in graphs, recent studies achieve fair representations and predictions through either graph data pre-processing (e.g., node feature masking, and topology rewiring) or fair training strategies (e.g., regularization, adversarial debiasing, and fair contrastive learning). How to achieve fairness in graphs from the model architecture perspective is less explored. More importantly, GNNs exhibit worse fairness performance compared to multilayer perception since their model architecture (i.e., neighbor aggregation) amplifies biases. To this end, we aim to achieve fairness via a new GNN architecture. We propose Fair Message Passing (FMP) designed within a unified optimization framework for GNNs. Notably, FMP explicitly renders sensitive attribute usage in forward propagation for node classification task using cross-entropy loss without data pre-processing. In FMP, the aggregation is first adopted to utilize neighbors' information and then the bias mitigation step explicitly pushes demographic group node presentation centers together.In this way, FMP scheme can aggregate useful information from neighbors and mitigate bias to achieve better fairness and prediction tradeoff performance. Experiments on node classification tasks demonstrate that the proposed FMP outperforms several baselines in terms of fairness and accuracy on three real-world datasets. The code is available at https://github.com/zhimengj0326/FMP.
