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Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses…

Machine Learning · Computer Science 2022-10-12 Yongqiang Chen , Yonggang Zhang , Yatao Bian , Han Yang , Kaili Ma , Binghui Xie , Tongliang Liu , Bo Han , James Cheng

Graph Out-of-Distribution (OOD) detection aims to identify whether a test graph deviates from the distribution of graphs observed during training, which is critical for ensuring the reliability of Graph Neural Networks (GNNs) when deployed…

Machine Learning · Computer Science 2026-02-20 Luzhi Wang , Xuanshuo Fu , He Zhang , Chuang Liu , Xiaobao Wang , Hongbo Liu

Real-world optimization problems are generally not just black-box problems, but also involve mixed types of inputs in which discrete and continuous variables coexist. Such mixed-space optimization possesses the primary challenge of modeling…

Machine Learning · Computer Science 2022-02-09 Jaeyeon Ahn , Taehyeon Kim , Seyoung Yun

Oversmoothing is a central challenge of building more powerful Graph Neural Networks (GNNs). While previous works have only demonstrated that oversmoothing is inevitable when the number of graph convolutions tends to infinity, in this…

Machine Learning · Computer Science 2023-03-02 Xinyi Wu , Zhengdao Chen , William Wang , Ali Jadbabaie

Knowledge distillation (KD) techniques have emerged as a powerful tool for transferring expertise from complex teacher models to lightweight student models, particularly beneficial for deploying high-performance models in…

Machine Learning · Computer Science 2025-10-28 Paul Agbaje , Arkajyoti Mitra , Afia Anjum , Pranali Khose , Ebelechukwu Nwafor , Habeeb Olufowobi

Solving statistical learning problems often involves nonconvex optimization. Despite the empirical success of nonconvex statistical optimization methods, their global dynamics, especially convergence to the desirable local minima, remain…

Machine Learning · Statistics 2018-08-30 Chris Junchi Li , Zhaoran Wang , Han Liu

Graph neural networks (GNNs) have achieved remarkable empirical success in processing and representing graph-structured data across various domains. However, a significant challenge known as "oversmoothing" persists, where vertex features…

Machine Learning · Computer Science 2025-01-07 Ziang Chen , Zhengjiang Lin , Shi Chen , Yury Polyanskiy , Philippe Rigollet

Graph neural networks (GNNs) have exhibited superior performance in various classification tasks on graph-structured data. However, they encounter the potential vulnerability from the link stealing attacks, which can infer the presence of a…

Machine Learning · Computer Science 2025-05-14 Jiadong Lou , Xu Yuan , Rui Zhang , Xingliang Yuan , Neil Gong , Nian-Feng Tzeng

Graph-level representation learning is important in a wide range of applications. Existing graph-level models are generally built on i.i.d. assumption for both training and testing graphs. However, in an open world, models can encounter…

Machine Learning · Computer Science 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

Invariant graph representation learning aims to learn the invariance among data from different environments for out-of-distribution generalization on graphs. As the graph environment partitions are usually expensive to obtain, augmenting…

Machine Learning · Computer Science 2023-10-31 Yongqiang Chen , Yatao Bian , Kaiwen Zhou , Binghui Xie , Bo Han , James Cheng

For supervised learning with tabular data, decision tree ensembles produced via boosting techniques generally dominate real-world applications involving iid training/test sets. However for graph data where the iid assumption is violated due…

Machine Learning · Computer Science 2022-10-06 Jiuhai Chen , Jonas Mueller , Vassilis N. Ioannidis , Soji Adeshina , Yangkun Wang , Tom Goldstein , David Wipf

In recent years, Graph Convolutional Networks (GCNs) have achieved great success in learning from graph-structured data. With the growing tendency of graph nodes and edges, GCN training by single processor cannot meet the demand for time…

Machine Learning · Computer Science 2021-10-08 Taige Zhao , Xiangyu Song , Jianxin Li , Wei Luo , Imran Razzak

We present a novel learning-based approach to graph representations of road networks employing state-of-the-art graph convolutional neural networks. Our approach is applied to realistic road networks of 17 cities from Open Street Map. While…

Machine Learning · Computer Science 2022-06-07 Zahra Gharaee , Shreyas Kowshik , Oliver Stromann , Michael Felsberg

Recent advances in generative models have yielded impressive progress on motion in-betweening, allowing for more complex, varied, and realistic motion transitions. However, recent methods still exhibit noticeable limitations in preserving…

Graphics · Computer Science 2026-05-14 Shiyu Fan , Paul Henderson , Edmond S. L. Ho

Finding the seed set that maximizes the influence spread over a network is a well-known NP-hard problem. Though a greedy algorithm can provide near-optimal solutions, the subproblem of influence estimation renders the solutions inefficient.…

Machine Learning · Computer Science 2023-10-17 George Panagopoulos , Nikolaos Tziortziotis , Michalis Vazirgiannis , Fragkiskos D. Malliaros

Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…

Machine Learning · Computer Science 2016-11-07 Dorina Thanou , Xiaowen Dong , Daniel Kressner , Pascal Frossard

Representation learning on graphs that evolve has recently received significant attention due to its wide application scenarios, such as bioinformatics, knowledge graphs, and social networks. The propagation of information in graphs is…

Machine Learning · Computer Science 2021-06-04 Mingyi Liu , Zhiying Tu , Xiaofei Xu , Zhongjie Wang

Neural Sheaf Diffusion (NSD) generalizes diffusion-based Graph Neural Networks by replacing scalar graph Laplacians with sheaf Laplacians whose learned restriction maps define a task-adapted geometry. While the diffusion limit of NSD is…

Machine Learning · Computer Science 2026-05-13 Arif Dönmez , Axel Mosig , Ellen Fritsche , Katharina Koch

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information…

Machine Learning · Computer Science 2017-09-15 Sami Abu-El-Haija , Bryan Perozzi , Rami Al-Rfou

Graph neural networks (GNNs) have emerged as powerful tools for processing relational data in applications. However, GNNs suffer from the problem of oversmoothing, the property that the features of all nodes exponentially converge to the…

Machine Learning · Statistics 2025-05-22 Bastian Epping , Alexandre René , Moritz Helias , Michael T. Schaub
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