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Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

机器学习 · 计算机科学 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Graph Neural Networks (GNNs) are deep learning models that take graph data as inputs, and they are applied to various tasks such as traffic prediction and molecular property prediction. However, owing to the complexity of the GNNs, it has…

机器学习 · 计算机科学 2021-11-02 Tetsu Kasanishi , Xueting Wang , Toshihiko Yamasaki

Graph neural networks (GNNs) have various practical applications, such as drug discovery, recommendation engines, and chip design. However, GNNs lack transparency as they cannot provide understandable explanations for their predictions. To…

机器学习 · 计算机科学 2023-06-09 Samidha Verma , Burouj Armgaan , Sourav Medya , Sayan Ranu

We consider the explanation problem of Graph Neural Networks (GNNs). Most existing GNN explanation methods identify the most important edges or nodes but fail to consider substructures, which are more important for graph data. The only…

机器学习 · 计算机科学 2023-02-28 Zhaoning Yu , Hongyang Gao

Generating explanations for graph neural networks (GNNs) has been studied to understand their behavior in analytical tasks such as graph classification. Existing approaches aim to understand the overall results of GNNs rather than providing…

机器学习 · 计算机科学 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

社会与信息网络 · 计算机科学 2020-02-06 Xiaoxiao Li , Joao Saude

Explaining Graph Neural Networks (GNNs) has garnered significant attention due to the need for interpretability, enabling users to understand the behavior of these black-box models better and extract valuable insights from their…

机器学习 · 计算机科学 2025-06-03 Jiaxing Zhang , Xiaoou Liu , Dongsheng Luo , Hua Wei

With the rapid deployment of graph neural networks (GNNs) based techniques into a wide range of applications such as link prediction, node classification, and graph classification the explainability of GNNs has become an indispensable…

机器学习 · 计算机科学 2023-01-03 Yiqiao Li , Jianlong Zhou , Boyuan Zheng , Fang Chen

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

机器学习 · 计算机科学 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

Machine learning models that operate on graph-structured data, such as molecular graphs or social networks, often make accurate predictions but offer little insight into why certain predictions are made. Counterfactual explanations address…

机器学习 · 计算机科学 2025-11-21 David Bechtoldt , Sidney Bender

Counterfactual explanations have emerged as a powerful tool to unveil the opaque decision-making processes of graph neural networks (GNNs). However, existing techniques primarily focus on edge modifications, often overlooking the crucial…

机器学习 · 计算机科学 2025-02-17 Flavio Giorgi , Fabrizio Silvestri , Gabriele Tolomei

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

机器学习 · 计算机科学 2021-08-30 Enyan Dai , Suhang Wang

Graphs are ubiquitous in social networks and biochemistry, where Graph Neural Networks (GNN) are the state-of-the-art models for prediction. Graphs can be evolving and it is vital to formally model and understand how a trained GNN responds…

机器学习 · 计算机科学 2024-03-12 Yazheng Liu , Xi Zhang , Sihong Xie

Graphs are ubiquitous in many applications, such as social networks, knowledge graphs, smart grids, etc.. Graph neural networks (GNN) are the current state-of-the-art for these applications, and yet remain obscure to humans. Explaining the…

机器学习 · 计算机科学 2021-11-22 Yazheng Liu , Xi Zhang , Sihong Xie

Finding frequently occurring subgraph patterns or network motifs in neural architectures is crucial for optimizing efficiency, accelerating design, and uncovering structural insights. However, as the subgraph size increases,…

机器学习 · 计算机科学 2026-02-04 Yikang Yang , Zhengxin Yang , Minghao Luo , Luzhou Peng , Hongxiao Li , Wanling Gao , Lei Wang , Jianfeng Zhan

Distribution shifts on graphs -- the discrepancies in data distribution between training and employing a graph machine learning model -- are ubiquitous and often unavoidable in real-world scenarios. These shifts may severely deteriorate…

机器学习 · 计算机科学 2025-03-31 Kexin Zhang , Shuhan Liu , Song Wang , Weili Shi , Chen Chen , Pan Li , Sheng Li , Jundong Li , Kaize Ding

Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

机器学习 · 计算机科学 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Explainability is crucial for the application of black-box Graph Neural Networks (GNNs) in critical fields such as healthcare, finance, cybersecurity, and more. Various feature attribution methods, especially the perturbation-based methods,…

机器学习 · 计算机科学 2024-12-31 Xingping Xian , Jianlu Liu , Chao Wang , Tao Wu , Shaojie Qiao , Xiaochuan Tang , Qun Liu

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

机器学习 · 计算机科学 2022-06-10 Zepeng Zhang , Ziping Zhao

Causal analysis helps us understand variables that are responsible for system failures. This improves fault detection and makes system more reliable. In this work, we present a new method that combines causal inference with machine learning…

系统与控制 · 电气工程与系统科学 2025-08-05 Karthik Peddi , Sai Ram Aditya Parisineni , Hemanth Macharla , Mayukha Pal