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Molecular graph representation learning is a fundamental problem in modern drug and material discovery. Molecular graphs are typically modeled by their 2D topological structures, but it has been recently discovered that 3D geometric…

Machine Learning · Computer Science 2022-05-31 Shengchao Liu , Hanchen Wang , Weiyang Liu , Joan Lasenby , Hongyu Guo , Jian Tang

Vision Transformer (ViT) models have recently emerged as powerful and versatile models for various visual tasks. Recently, a work called PMF has achieved promising results in few-shot image classification by utilizing pre-trained vision…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Junjie Zhu , Yiying Li , Chunping Qiu , Ke Yang , Naiyang Guan , Xiaodong Yi

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…

Machine Learning · Computer Science 2024-01-10 Tingyang Chen , Dazhuo Qiu , Yinghui Wu , Arijit Khan , Xiangyu Ke , Yunjun Gao

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

With the development of feature extraction technique, one sample always can be represented by multiple features which locate in high-dimensional space. Multiple features can re ect various perspectives of one same sample, so there must be…

Computer Vision and Pattern Recognition · Computer Science 2018-07-30 Huibing Wang , Lin Feng , Adong Kong , Bo Jin

Deep convolutional neural networks (CNN) have shown their promise as a universal representation for recognition. However, global CNN activations lack geometric invariance, which limits their robustness for classification and matching of…

Computer Vision and Pattern Recognition · Computer Science 2014-09-10 Yunchao Gong , Liwei Wang , Ruiqi Guo , Svetlana Lazebnik

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Generalizing a pretrained model to unseen datasets without retraining is an essential step toward a foundation model. However, achieving such cross-dataset, fully inductive inference is difficult in graph-structured data where feature…

Machine Learning · Computer Science 2025-12-15 Dooho Lee , Myeong Kong , Minho Jeong , Jaemin Yoo

Multiplex graphs, with multiple edge types (graph views) among common nodes, provide richer structural semantics and better modeling capabilities. Multiplex Graph Neural Networks (MGNNs), typically comprising view-specific GNNs and a…

Machine Learning · Computer Science 2025-02-11 Yunhui Liu , Zhen Tao , Xiang Zhao , Jianhua Zhao , Tao Zheng , Tieke He

In biomedical science, a set of objects or persons can often be described by multiple distinct sets of features obtained from different data sources or modalities (called "multi-view data"). Classical machine learning methods ignore the…

Computation · Statistics 2025-04-25 Wouter van Loon

Fusion of 2D images and 3D point clouds is important because information from dense images can enhance sparse point clouds. However, fusion is challenging because 2D and 3D data live in different spaces. In this work, we propose MVPNet…

Computer Vision and Pattern Recognition · Computer Science 2019-10-01 Maximilian Jaritz , Jiayuan Gu , Hao Su

The integration of Graph Neural Networks (GNNs) with Large Language Models (LLMs) has emerged as a promising paradigm for Graph Question Answering (GraphQA). However, effective methods for encoding complex structural information into the…

Machine Learning · Computer Science 2026-04-02 Ankit Grover , Lodovico Giaretta , Rémi Bourgerie , Sarunas Girdzijauskas

The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing…

Machine Learning · Computer Science 2024-12-10 Andreas Roth , Franka Bause , Nils M. Kriege , Thomas Liebig

Graph-based multi-view clustering has achieved better performance than most non-graph approaches. However, in many real-world scenarios, the graph structure of data is not given or the quality of initial graph is poor. Additionally,…

Machine Learning · Computer Science 2022-09-23 Erlin Pan , Zhao Kang

Recently, the Neural Radiance Field (NeRF) advancement has facilitated few-shot Novel View Synthesis (NVS), which is a significant challenge in 3D vision applications. Despite numerous attempts to reduce the dense input requirement in NeRF,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-24 Wangze Xu , Huachen Gao , Shihe Shen , Rui Peng , Jianbo Jiao , Ronggang Wang

The general method of graph coarsening or graph reduction has been a remarkably useful and ubiquitous tool in scientific computing and it is now just starting to have a similar impact in machine learning. The goal of this paper is to take a…

Machine Learning · Computer Science 2021-06-23 Jie Chen , Yousef Saad , Zechen Zhang

Graph Neural Networks (GNNs) are widely used for learning on graph-structured data, but scaling GNN training to massive graphs remains challenging. To enable scalable distributed training, graphs are divided into smaller partitions that are…

Machine Learning · Computer Science 2026-04-02 Nikolai Merkel , Ruben Mayer , Volker Markl , Hans-Arno Jacobsen

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for learning on graph-structured data, thanks to their ability to jointly exploit node features and relational information encoded in the graph topology. This joint modeling,…

Machine Learning · Computer Science 2025-12-30 Yongyu Wang

In recent years, semi-supervised multi-view nonnegative matrix factorization (MVNMF) algorithms have achieved promising performances for multi-view clustering. While most of semi-supervised MVNMFs have failed to effectively consider…

Machine Learning · Computer Science 2020-10-27 Guosheng Cui , Ruxin Wang , Dan Wu , Ye Li

Graph Convolutional Networks (GCNs) are powerful for processing graph-structured data and have achieved state-of-the-art performance in several tasks such as node classification, link prediction, and graph classification. However, it is…

Machine Learning · Computer Science 2021-10-19 Langzhang Liang , Cuiyun Gao , Shiyi Chen , Shishi Duan , Yu pan , Junjin Zheng , Lei Wang , Zenglin Xu