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1. On Structural Explanation of Bias in Graph Neural Networks

   https://doi.org/10.1145/3534678.3539319  

   Dong, Yushun; Wang, Song; Wang, Yu; Derr, Tyler; Li, Jundong (August 2022, Proceedings of the 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining)

   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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2. Learning Scalable Structural Representations for Link Prediction with Bloom Signatures

   https://doi.org/10.1145/3589334.3645672  

   Zhang, Tianyi; Yin, Haoteng; Wei, Rongzhe; Li, Pan; Shrivastava, Anshumali (May 2024, The Web Conference 2024)

   Graph neural networks (GNNs) have shown great potential in learning on graphs, but they are known to perform sub-optimally on link prediction tasks. Existing GNNs are primarily designed to learn node-wise representations and usually fail to capture pairwise relations between target nodes, which proves to be crucial for link prediction. Recent works resort to learning more expressive edge-wise representations by enhancing vanilla GNNs with structural features such as labeling tricks and link prediction heuristics, but they suffer from high computational overhead and limited scalability. To tackle this issue, we propose to learn structural link representations by augmenting the message-passing framework of GNNs with Bloom signatures. Bloom signatures are hashing-based compact encodings of node neighborhoods, which can be efficiently merged to recover various types of edge-wise structural features. We further show that any type of neighborhood overlap-based heuristic can be estimated by a neural network that takes Bloom signatures as input. GNNs with Bloom signatures are provably more expressive than vanilla GNNs and also more scalable than existing edge-wise models. Experimental results on five standard link prediction benchmarks show that our proposed model achieves comparable or better performance than existing edge-wise GNN models while being 3-200 × faster and more memory-efficient for online inference. 

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3. Transferring Robustness for Graph Neural Network Against Poisoning Attacks

   https://doi.org/10.1145/3336191.3371851  

   Tang, Xianfeng; Li, Yandong; Sun, Yiwei; Yao, Huaxiu; Mitra, Prasenjit; Wang, Suhang (January 2020, WSDM '20: Proceedings of the 13th International Conference on Web Search and Data Mining)

   Graph neural networks (GNNs) are widely used in many applications. However, their robustness against adversarial attacks is criticized. Prior studies show that using unnoticeable modifications on graph topology or nodal features can significantly reduce the performances of GNNs. It is very challenging to design robust graph neural networks against poisoning attack and several efforts have been taken. Existing work aims at reducing the negative impact from adversarial edges only with the poisoned graph, which is sub-optimal since they fail to discriminate adversarial edges from normal ones. On the other hand, clean graphs from similar domains as the target poisoned graph are usually available in the real world. By perturbing these clean graphs, we create supervised knowledge to train the ability to detect adversarial edges so that the robustness of GNNs is elevated. However, such potential for clean graphs is neglected by existing work. To this end, we investigate a novel problem of improving the robustness of GNNs against poisoning attacks by exploring clean graphs. Specifically, we propose PA-GNN, which relies on a penalized aggregation mechanism that directly restrict the negative impact of adversarial edges by assigning them lower attention coefficients. To optimize PA-GNN for a poisoned graph, we design a meta-optimization algorithm that trains PA-GNN to penalize perturbations using clean graphs and their adversarial counterparts, and transfers such ability to improve the robustness of PA-GNN on the poisoned graph. Experimental results on four real-world datasets demonstrate the robustness of PA-GNN against poisoning attacks on graphs. 

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4. Boosting Graph Neural Networks via Adaptive Knowledge Distillation

   https://doi.org/10.1609/aaai.v37i6.25944  

   Guo, Zhichun; Zhang, Chunhui; Fan, Yujie; Tian, Yijun; Zhang, Chuxu; Chawla, Nitesh V. (June 2023, Proceedings of the AAAI Conference on Artificial Intelligence)

   Graph neural networks (GNNs) have shown remarkable performance on diverse graph mining tasks. While sharing the same message passing framework, our study shows that different GNNs learn distinct knowledge from the same graph. This implies potential performance improvement by distilling the complementary knowledge from multiple models. However, knowledge distillation (KD) transfers knowledge from high-capacity teachers to a lightweight student, which deviates from our scenario: GNNs are often shallow. To transfer knowledge effectively, we need to tackle two challenges: how to transfer knowledge from compact teachers to a student with the same capacity; and, how to exploit student GNN's own learning ability. In this paper, we propose a novel adaptive KD framework, called BGNN, which sequentially transfers knowledge from multiple GNNs into a student GNN. We also introduce an adaptive temperature module and a weight boosting module. These modules guide the student to the appropriate knowledge for effective learning. Extensive experiments have demonstrated the effectiveness of BGNN. In particular, we achieve up to 3.05% improvement for node classification and 6.35% improvement for graph classification over vanilla GNNs. 

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5. Greener GRASS: Enhancing GNNs with Encoding, Rewiring, and Attention

   Liao, Tongzhou; Poczos, Barnabas (April 2025, OpenReview)

   Graph Neural Networks (GNNs) have become important tools for machine learning on graph-structured data. In this paper, we explore the synergistic combination of graph encoding, graph rewiring, and graph attention, by introducing Graph Attention with Stochastic Structures (GRASS), a novel GNN architecture. GRASS utilizes relative random walk probabilities (RRWP) encoding and a novel decomposed variant (D-RRWP) to efficiently capture structural information. It rewires the input graph by superimposing a random regular graph to enhance long-range information propagation. It also employs a novel additive attention mechanism tailored for graph-structured data. Our empirical evaluations demonstrate that GRASS achieves state-of-the-art performance on multiple benchmark datasets, including a 20.3% reduction in mean absolute error on the ZINC dataset. 

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