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Related papers: Faithful Interpretation for Graph Neural Networks

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Uncertainty quantification is essential for deploying reliable Graph Neural Networks (GNNs), where existing approaches primarily rely on Bayesian inference or ensembles. In this paper, we introduce the first credal graph neural networks…

Machine Learning · Computer Science 2025-12-03 Matteo Tolloso , Davide Bacciu

It has been observed that message-passing graph neural networks (GNN) sometimes struggle to maintain a healthy balance between the efficient/scalable modeling of long-range dependencies across nodes while avoiding unintended consequences…

Machine Learning · Computer Science 2025-05-21 Yongyi Yang , Tang Liu , Yangkun Wang , Zengfeng Huang , David Wipf

Graph Neural Networks (GNNs) have been widely used to learn representations on graphs and tackle many real-world problems from a wide range of domains. In this paper we propose wsGAT, an extension of the Graph Attention Network (GAT)…

Social and Information Networks · Computer Science 2022-02-01 Marco Grassia , Giuseppe Mangioni

Attention mechanisms have made significant strides in graph learning, yet they still exhibit notable limitations: local attention faces challenges in capturing long-range information due to the inherent problems of the message-passing…

Machine Learning · Computer Science 2023-10-10 Siyuan Huang , Yunchong Song , Jiayue Zhou , Zhouhan Lin

The lack of interpretability is an inevitable problem when using neural network models in real applications. In this paper, an explainable neural network based on generalized additive models with structured interactions (GAMI-Net) is…

Machine Learning · Statistics 2021-06-03 Zebin Yang , Aijun Zhang , Agus Sudjianto

Graph Neural Networks (GNNs) have shown great power in various domains. However, their predictions may inherit societal biases on sensitive attributes, limiting their adoption in real-world applications. Although many efforts have been…

Machine Learning · Computer Science 2023-06-21 Huaisheng Zhu , Guoji Fu , Zhimeng Guo , Zhiwei Zhang , Teng Xiao , Suhang Wang

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

Machine Learning · Computer Science 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Despite the recent progress in Graph Neural Networks (GNNs), it remains challenging to explain the predictions made by GNNs. Existing explanation methods mainly focus on post-hoc explanations where another explanatory model is employed to…

Machine Learning · Computer Science 2021-12-03 Zaixi Zhang , Qi Liu , Hao Wang , Chengqiang Lu , Cheekong Lee

Fine-grained visual classification (FGVC) is challenging but more critical than traditional classification tasks. It requires distinguishing different subcategories with the inherently subtle intra-class object variations. Previous works…

Computer Vision and Pattern Recognition · Computer Science 2021-03-10 Zhenhuan Huang , Xiaoyue Duan , Bo Zhao , Jinhu Lü , Baochang Zhang

Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These methods have emerged as powerful tools for high-throughput…

Computational Physics · Physics 2025-05-23 Junchi Liu , Ying Tang , Sergei Tretiak , Wenhui Duan , Liujiang Zhou

Predictions made by graph neural networks (GNNs) usually lack interpretability due to their complex computational behavior and the abstract nature of graphs. In an attempt to tackle this, many GNN explanation methods have emerged. Their…

Machine Learning · Computer Science 2024-10-21 Zhong Li , Simon Geisler , Yuhang Wang , Stephan Günnemann , Matthijs van Leeuwen

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

Machine Learning · Computer Science 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph Neural Networks (GNNs) are widely adopted in advanced AI systems due to their capability of representation learning on graph data. Even though GNN explanation is crucial to increase user trust in the systems, it is challenging due to…

Machine Learning · Computer Science 2022-08-08 Tien-Cuong Bui , Wen-syan Li , Sang-Kyun Cha

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)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Graph Neural Networks (GNNs) have shown remarkable success in graph representation learning. Unfortunately, current weight assignment schemes in standard GNNs, such as the calculation based on node degrees or pair-wise representations, can…

Machine Learning · Computer Science 2024-07-02 Junfu Wang , Yuanfang Guo , Liang Yang , Yunhong Wang

The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses. In this work, we delve into the robustness…

Machine Learning · Computer Science 2024-11-12 Zhichao Hou , Ruiqi Feng , Tyler Derr , Xiaorui Liu

Neuron identification is a popular tool in mechanistic interpretability, aiming to uncover the human-interpretable concepts represented by individual neurons in deep networks. While algorithms such as Network Dissection and CLIP-Dissect…

Artificial Intelligence · Computer Science 2025-12-23 Ge Yan , Tuomas Oikarinen , Tsui-Wei , Weng

Deep neural networks (DNNs) achieve state-of-the-art performance on many tasks, but this often requires increasingly larger model sizes, which in turn leads to more complex internal representations. Explainability techniques (XAI) have made…

Machine Learning · Computer Science 2026-01-30 Tom Pelletreau-Duris , Ruud van Bakel , Michael Cochez

In this paper, we design Graph Neural Networks (GNNs) with attention mechanisms to tackle an important yet challenging nonlinear regression problem: massive network localization. We first review our previous network localization method…

Machine Learning · Computer Science 2025-04-08 Wenzhong Yan , Feng Yin , Juntao Wang , Geert Leus , Abdelhak M. Zoubir , Yang Tian

Graph Convolutional Networks (GCNs) are a popular method from graph representation learning that have proved effective for tasks like node classification tasks. Although typical GCN models focus on classifying nodes within a static graph,…

Machine Learning · Computer Science 2021-10-13 Yucai Fan , Yuhang Yao , Carlee Joe-Wong