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Graph neural networks have shown remarkable success in exploiting the spatial and temporal patterns on dynamic graphs. However, existing GNNs exhibit poor generalization ability under distribution shifts, which is inevitable in dynamic…

Machine Learning · Computer Science 2025-11-25 Qingyun Sun , Jiayi Luo , Haonan Yuan , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

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

Distribution shifts between training and testing datasets significantly impair the model performance on graph learning. A commonly-taken causal view in graph invariant learning suggests that stable predictive features of graphs are causally…

Machine Learning · Computer Science 2025-12-10 Bohan Wang , Yurui Chang , Wei Jin , Lu Lin

Out-of-distribution (OOD) generalization has emerged as a critical challenge in graph learning, as real-world graph data often exhibit diverse and shifting environments that traditional models fail to generalize across. A promising solution…

Machine Learning · Computer Science 2025-08-05 Xu Shen , Yixin Liu , Yili Wang , Rui Miao , Yiwei Dai , Shirui Pan , Yi Chang , Xin Wang

Graph neural networks (GNNs) have been demonstrated to perform well in graph representation learning, but always lacking in generalization capability when tackling out-of-distribution (OOD) data. Graph invariant learning methods, backed by…

Machine Learning · Computer Science 2023-12-19 Tianrui Jia , Haoyang Li , Cheng Yang , Tao Tao , Chuan Shi

Out-of-distribution (OOD) generalization is an important issue for Graph Neural Networks (GNNs). Recent works employ different graph editions to generate augmented environments and learn an invariant GNN for generalization. However, the…

Machine Learning · Computer Science 2023-03-28 Junchi Yu , Jian Liang , Ran He

Graph Augmentation Learning (GAL) provides outstanding solutions for graph learning in handling incomplete data, noise data, etc. Numerous GAL methods have been proposed for graph-based applications such as social network analysis and…

Machine Learning · Computer Science 2022-03-18 Shuo Yu , Huafei Huang , Minh N. Dao , Feng Xia

The issue of distribution shifts is emerging as a critical concern in graph representation learning. From the perspective of invariant learning and stable learning, a recently well-established paradigm for out-of-distribution…

Machine Learning · Computer Science 2023-12-22 Yongduo Sui , Qitian Wu , Jiancan Wu , Qing Cui , Longfei Li , Jun Zhou , Xiang Wang , Xiangnan He

To deal with distribution shifts in graph data, various graph out-of-distribution (OOD) generalization techniques have been recently proposed. These methods often employ a two-step strategy that first creates augmented environments and…

Machine Learning · Computer Science 2025-01-09 Song Wang , Xiaodong Yang , Rashidul Islam , Huiyuan Chen , Minghua Xu , Jundong Li , Yiwei Cai

Dynamic graph neural networks (DGNNs) are increasingly pervasive in exploiting spatio-temporal patterns on dynamic graphs. However, existing works fail to generalize under distribution shifts, which are common in real-world scenarios. As…

Machine Learning · Computer Science 2023-11-21 Haonan Yuan , Qingyun Sun , Xingcheng Fu , Ziwei Zhang , Cheng Ji , Hao Peng , Jianxin Li

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

Machine Learning · Computer Science 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

Rationale is defined as a subset of input features that best explains or supports the prediction by machine learning models. Rationale identification has improved the generalizability and interpretability of neural networks on vision and…

Machine Learning · Computer Science 2022-09-27 Gang Liu , Tong Zhao , Jiaxin Xu , Tengfei Luo , Meng Jiang

Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view…

Machine Learning · Computer Science 2025-04-15 Jie Chen , Hua Mao , Wai Lok Woo , Chuanbin Liu , Xi Peng

Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations that preserve labels. This is relatively straightforward for…

Machine Learning · Computer Science 2023-03-01 Youzhi Luo , Michael McThrow , Wing Yee Au , Tao Komikado , Kanji Uchino , Koji Maruhashi , Shuiwang Ji

In general, graph representation learning methods assume that the train and test data come from the same distribution. In this work we consider an underexplored area of an otherwise rapidly developing field of graph representation learning:…

Machine Learning · Computer Science 2021-12-08 Beatrice Bevilacqua , Yangze Zhou , Bruno Ribeiro

Learning to cooperate is crucially important in multi-agent environments. The key is to understand the mutual interplay between agents. However, multi-agent environments are highly dynamic, where agents keep moving and their neighbors…

Machine Learning · Computer Science 2020-02-12 Jiechuan Jiang , Chen Dun , Tiejun Huang , Zongqing Lu

Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments.…

Machine Learning · Computer Science 2024-06-04 Yinhua Piao , Sangseon Lee , Yijingxiu Lu , Sun Kim

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Recently, contrastiveness-based augmentation surges a new climax in the computer vision domain, where some operations, including rotation, crop, and flip, combined with dedicated algorithms, dramatically increase the model generalization…

Computer Vision and Pattern Recognition · Computer Science 2022-05-23 Han Yue , Chunhui Zhang , Chuxu Zhang , Hongfu Liu

Invariant learning demonstrates substantial potential for enhancing the generalization of graph neural networks (GNNs) with out-of-distribution (OOD) data. It aims to recognize stable features in graph data for classification, based on the…

Machine Learning · Computer Science 2025-01-23 Yongduo Sui , Jie Sun , Shuyao Wang , Zemin Liu , Qing Cui , Longfei Li , Xiang Wang
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