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Graph Neural Networks (GNNs) with equivariant properties have achieved significant success in modeling complex dynamic systems and molecular properties. However, their expressiveness ability is limited by: (1) Existing methods often…

Machine Learning · Computer Science 2025-11-04 Yingxu Wang , Nan Yin , Mingyan Xiao , Xinhao Yi , Siwei Liu , Shangsong Liang

In the graph domain, deep graph networks based on Message Passing Neural Networks (MPNNs) or Graph Transformers often cause over-smoothing of node features, limiting their expressive capacity. Many upsampling techniques involving node and…

Machine Learning · Computer Science 2026-02-03 Xiaotang Wang , Yun Zhu , Haizhou Shi , Yongchao Liu , Yongqi Zhang

In this work, we generalize the ideas of Kaiming initialization to Graph Neural Networks (GNNs) and propose a new scheme (G-Init) that reduces oversmoothing, leading to very good results in node and graph classification tasks. GNNs are…

Machine Learning · Computer Science 2024-11-01 Dimitrios Kelesis , Dimitris Fotakis , Georgios Paliouras

Graph representation learning has long been an important yet challenging task for various real-world applications. However, their downstream tasks are mainly performed in the settings of supervised or semi-supervised learning. Inspired by…

Machine Learning · Computer Science 2021-04-14 Shiyi Chen , Ziao Wang , Xinni Zhang , Xiaofeng Zhang , Dan Peng

Modern neural networks have shown promise for solving partial differential equations over surfaces, often by discretizing the surface as a mesh and learning with a mesh-aware graph neural network. However, graph neural networks suffer from…

Machine Learning · Computer Science 2026-05-13 Edward Berman , Luisa Li , Jung Yeon Park , Robin Walters

Numerous recent research on graph neural networks (GNNs) has focused on formulating GNN architectures as an optimization problem with the smoothness assumption. However, in node classification tasks, the smoothing effect induced by GNNs…

Machine Learning · Computer Science 2023-09-14 Jiayu Zhai , Lequan Lin , Dai Shi , Junbin Gao

Contrastive self-supervised learning (CSL) with a prototypical regularization has been introduced in learning meaningful representations for downstream tasks that require strong semantic information. However, to optimize CSL with a loss…

Computer Vision and Pattern Recognition · Computer Science 2022-10-20 Shentong Mo , Zhun Sun , Chao Li

The self-attention mechanism in transformers and the message-passing mechanism in graph neural networks are repeatedly applied within deep learning architectures. We show that this application inevitably leads to oversmoothing, i.e., to…

Machine Learning · Computer Science 2023-06-05 Ameen Ali , Tomer Galanti , Lior Wolf

Learning node-level representations of heterophilic graphs is crucial for various applications, including fraudster detection and protein function prediction. In such graphs, nodes share structural similarity identified by the equivalence…

Machine Learning · Computer Science 2023-08-22 Asif Khan , Amos Storkey

Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

Machine Learning · Computer Science 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj

Label Smoothing (LS) is widely adopted to reduce overconfidence in neural network predictions and improve generalization. Despite these benefits, recent studies reveal two critical issues with LS. First, LS induces overconfidence in…

Machine Learning · Computer Science 2026-02-06 Yuxuan Zhou , Heng Li , Zhi-Qi Cheng , Xudong Yan , Yifei Dong , Mario Fritz , Margret Keuper

Graph Contrastive Learning (GCL) has recently drawn much research interest for learning generalizable node representations in a self-supervised manner. In general, the contrastive learning process in GCL is performed on top of the…

Machine Learning · Computer Science 2022-12-06 Kaize Ding , Yancheng Wang , Yingzhen Yang , Huan Liu

Hypergraphs are a generalized data structure of graphs to model higher-order correlations among entities, which have been successfully adopted into various research domains. Meanwhile, HyperGraph Neural Network (HGNN) is currently the…

Computer Vision and Pattern Recognition · Computer Science 2021-05-04 Jing Huang , Xiaolin Huang , Jie Yang

Contrastive pretraining can substantially increase model generalisation and downstream performance. However, the quality of the learned representations is highly dependent on the data augmentation strategy applied to generate positive…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Mélanie Roschewitz , Fabio De Sousa Ribeiro , Tian Xia , Galvin Khara , Ben Glocker

Graph representation learning plays a vital role in processing graph-structured data. However, prior arts on graph representation learning heavily rely on labeling information. To overcome this problem, inspired by the recent success of…

Machine Learning · Computer Science 2021-07-19 Ming Jin , Yizhen Zheng , Yuan-Fang Li , Chen Gong , Chuan Zhou , Shirui Pan

Graph Contrastive Learning (GCL) has shown promising performance in graph representation learning (GRL) without the supervision of manual annotations. GCL can generate graph-level embeddings by maximizing the Mutual Information (MI) between…

Machine Learning · Computer Science 2022-05-25 Jiawei Sun , Ruoxin Chen , Jie Li , Chentao Wu , Yue Ding , Junchi Yan

Learning good representations involves capturing the diverse ways in which data samples relate. Contrastive loss - an objective matching related samples - underlies methods from self-supervised to multimodal learning. Contrastive losses,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-13 Vlad Sobal , Mark Ibrahim , Randall Balestriero , Vivien Cabannes , Diane Bouchacourt , Pietro Astolfi , Kyunghyun Cho , Yann LeCun

With the proliferation of Graph Neural Network (GNN) methods stemming from contrastive learning, unsupervised node representation learning for graph data is rapidly gaining traction across various fields, from biology to molecular dynamics,…

Machine Learning · Computer Science 2024-08-01 Jihee You , So Won Jeong , Claire Donnat

The success of deep learning is usually accompanied by the growth in neural network depth. However, the traditional training method only supervises the neural network at its last layer and propagates the supervision layer-by-layer, which…

Computer Vision and Pattern Recognition · Computer Science 2022-07-13 Linfeng Zhang , Xin Chen , Junbo Zhang , Runpei Dong , Kaisheng Ma

Lightness adaptation is vital to the success of image processing to avoid unexpected visual deterioration, which covers multiple aspects, e.g., low-light image enhancement, image retouching, and inverse tone mapping. Existing methods…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Mingde Yao , Jie Huang , Xin Jin , Ruikang Xu , Shenglong Zhou , Man Zhou , Zhiwei Xiong