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Graph Neural Networks (GNNs) have shown remarkable success across various scientific fields, yet their adoption in critical decision-making is often hindered by a lack of interpretability. Recently, intrinsically interpretable GNNs have…

Machine Learning · Computer Science 2025-10-07 Cheng Xin , Fan Xu , Xin Ding , Jie Gao , Jiaxin Ding

In this paper, we present Laplacian multiscale flow matching (LapFlow), a novel framework that enhances flow matching by leveraging multi-scale representations for image generative modeling. Our approach decomposes images into Laplacian…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Zelin Zhao , Petr Molodyk , Haotian Xue , Yongxin Chen

Graph Neural Networks (GNNs) exploit signals from node features and the input graph topology to improve node classification task performance. However, these models tend to perform poorly on heterophilic graphs, where connected nodes have…

Machine Learning · Computer Science 2021-12-08 Vijay Lingam , Chanakya Ekbote , Manan Sharma , Rahul Ragesh , Arun Iyer , Sundararajan Sellamanickam

Graph neural network (GNN)-based graph learning has been popular in natural language and programming language processing, particularly in text and source code classification. Typically, GNNs are constructed by incorporating alternating…

Machine Learning · Computer Science 2024-05-24 Zeming Dong , Qiang Hu , Zhenya Zhang , Yuejun Guo , Maxime Cordy , Mike Papadakis , Yves Le Traon , Jianjun Zhao

The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood information of nodes. Though effective for various tasks, in this paper, we show…

Machine Learning · Computer Science 2022-12-22 Sitao Luan , Mingde Zhao , Chenqing Hua , Xiao-Wen Chang , Doina Precup

Improving the accuracy and robustness of deep neural nets (DNNs) and adapting them to small training data are primary tasks in deep learning research. In this paper, we replace the output activation function of DNNs, typically the…

Machine Learning · Computer Science 2019-07-17 Bao Wang , Stanley J. Osher

Graph neural networks (GNNs) have recently emerged as an effective approach to model neighborhood signals in collaborative filtering. Towards this research line, graph contrastive learning (GCL) demonstrates robust capabilities to address…

Information Retrieval · Computer Science 2024-07-22 Xinzhou Jin , Jintang Li , Liang Chen , Chenyun Yu , Yuanzhen Xie , Tao Xie , Chengxiang Zhuo , Zang Li , Zibin Zheng

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…

Machine Learning · Computer Science 2021-11-22 Yazheng Liu , Xi Zhang , Sihong Xie

Temporal graph learning has applications in recommendation systems, traffic forecasting, and social network analysis. Although multiple architectures have been introduced, progress in positional encoding for temporal graphs remains limited.…

Machine Learning · Computer Science 2025-06-03 Yaniv Galron , Fabrizio Frasca , Haggai Maron , Eran Treister , Moshe Eliasof

In this paper, we develop a novel local graph pooling method, namely the Separated Subgraph-based Hierarchical Pooling (SSHPool), for graph classification. We commence by assigning the nodes of a sample graph into different clusters,…

Artificial Intelligence · Computer Science 2024-08-14 Zhuo Xu , Lixin Cui , Ming Li , Yue Wang , Ziyu Lyu , Hangyuan Du , Lu Bai , Philip S. Yu , Edwin R. Hancock

Geometric deep learning has sparked a rising interest in computer graphics to perform shape understanding tasks, such as shape classification and semantic segmentation. When the input is a polygonal surface, one has to suffer from the…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Qiujie Dong , Zixiong Wang , Manyi Li , Junjie Gao , Shuangmin Chen , Zhenyu Shu , Shiqing Xin , Changhe Tu , Wenping Wang

Graph Neural Networks (GNNs) have emerged as the predominant approach for learning over graph-structured data. However, most GNNs operate as black-box models and require post-hoc explanations, which may not suffice in high-stakes scenarios…

Machine Learning · Computer Science 2025-10-14 Maya Bechler-Speicher , Amir Globerson , Ran Gilad-Bachrach

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

Machine Learning · Computer Science 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

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…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Machine Learning · Computer Science 2018-11-19 Nicolò Navarin , Dinh V. Tran , Alessandro Sperduti

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Graph Convolutional Networks (GCNs) can capture non-Euclidean spatial dependence between different brain regions. The graph pooling operator, a crucial element of GCNs, enhances the representation learning capability and facilitates the…

Computer Vision and Pattern Recognition · Computer Science 2024-03-01 Cheng Zhu , Jiayi Zhu , Xi Wu , Lijuan Zhang , Shuqi Yang , Ping Liang , Honghan Chen , Ying Tan

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

GNN-to-MLP distillation aims to utilize knowledge distillation (KD) to learn computationally-efficient multi-layer perceptron (student MLP) on graph data by mimicking the output representations of teacher GNN. Existing methods mainly make…

Machine Learning · Computer Science 2024-03-07 Ling Yang , Ye Tian , Minkai Xu , Zhongyi Liu , Shenda Hong , Wei Qu , Wentao Zhang , Bin Cui , Muhan Zhang , Jure Leskovec

Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectures, GNNs are data hungry. While requiring labels in real…

Biological Physics · Physics 2022-05-03 Mengying Sun , Jing Xing , Huijun Wang , Bin Chen , Jiayu Zhou