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Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

计算机视觉与模式识别 · 计算机科学 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

计算与语言 · 计算机科学 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov

We investigate the enhancement of graph neural networks' (GNNs) representation power through their ability in substructure counting. Recent advances have seen the adoption of subgraph GNNs, which partition an input graph into numerous…

机器学习 · 计算机科学 2024-06-14 Zuoyu Yan , Junru Zhou , Liangcai Gao , Zhi Tang , Muhan Zhang

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

机器学习 · 计算机科学 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

机器学习 · 计算机科学 2022-07-15 Zhongren Chen , Xinyue Xu , Shengyi Jiang , Hao Wang , Lu Mi

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…

机器学习 · 计算机科学 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

机器学习 · 计算机科学 2026-04-09 Yi Yang , Ovidiu Daescu

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

机器学习 · 计算机科学 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Hypergraph neural networks (HGNNs) have shown remarkable potential in modeling high-order relationships that naturally arise in many real-world data domains. However, existing HGNNs often suffer from shallow propagation, oversmoothing, and…

机器学习 · 计算机科学 2026-04-14 Zhiheng Zhou , Mengyao Zhou , Xixun Lin , Xingqin Qi , Guiying Yan

We present a novel graph neural network (GNN) approach for cell tracking in high-throughput microscopy videos. By modeling the entire time-lapse sequence as a direct graph where cell instances are represented by its nodes and their…

计算机视觉与模式识别 · 计算机科学 2022-07-19 Tal Ben-Haim , Tammy Riklin Raviv

Recently there has been a significant effort to automate UV mapping, the process of mapping 3D-dimensional surfaces to the UV space while minimizing distortion and seam length. Although state-of-the-art methods, Autocuts and OptCuts,…

图形学 · 计算机科学 2020-12-04 Fatemeh Teimury , Bruno Roy , Juan Sebastián Casallas , David MacDonald , Mark Coates

Graph Neural Networks (GNNs) is an architecture for structural data, and has been adopted in a mass of tasks and achieved fabulous results, such as link prediction, node classification, graph classification and so on. Generally, for a…

机器学习 · 计算机科学 2022-05-12 Ye Tang , Xuesong Yang , Xinrui Liu , Xiwei Zhao , Zhangang Lin , Changping Peng

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…

机器学习 · 计算机科学 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

Graph Neural Networks (GNNs) have emerged as an efficient alternative to convolutional approaches for vision tasks such as image classification, leveraging patch-based representations instead of raw pixels. These methods construct graphs…

计算机视觉与模式识别 · 计算机科学 2025-04-29 Nikolaos Chaidos , Angeliki Dimitriou , Nikolaos Spanos , Athanasios Voulodimos , Giorgos Stamou

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

机器学习 · 计算机科学 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

This paper tackles the pressing challenge of mutagenicity prediction by introducing three ground-breaking approaches. First, it showcases the superior performance of 2D scattering coefficients extracted from molecular images, compared to…

机器学习 · 计算机科学 2024-11-26 Abdeljalil Zoubir , Badr Missaoui

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

机器学习 · 统计学 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Recently, implicit graph neural networks (GNNs) have been proposed to capture long-range dependencies in underlying graphs. In this paper, we introduce and justify two weaknesses of implicit GNNs: the constrained expressiveness due to their…

机器学习 · 计算机科学 2022-10-18 Juncheng Liu , Bryan Hooi , Kenji Kawaguchi , Xiaokui Xiao

Many complex networks exhibit hierarchical, tree-like structures, making hyperbolic space a natural candidate wherein to learn representations of them. Based on this observation, Hyperbolic Graph Neural Networks (HGNNs) have been widely…

机器学习 · 计算机科学 2026-05-15 Dionisia Naddeo , Jonas Linkerhägner , Nicola Toschi , Geri Skenderi , Veronica Lachi

Graph Neural Networks (GNNs) have been widely deployed in various real-world applications. However, most GNNs are black-box models that lack explanations. One strategy to explain GNNs is through counterfactual explanation, which aims to…

机器学习 · 计算机科学 2024-10-29 Yinhan He , Wendy Zheng , Yaochen Zhu , Jing Ma , Saumitra Mishra , Natraj Raman , Ninghao Liu , Jundong Li