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Existing methods for graph out-of-distribution (OOD) detection typically depend on training graph neural network (GNN) classifiers using a substantial amount of labeled in-distribution (ID) data. However, acquiring high-quality labeled…

Machine Learning · Computer Science 2025-03-31 Haoyan Xu , Zhengtao Yao , Yushun Dong , Ziyi Wang , Ryan A. Rossi , Mengyuan Li , Yue Zhao

Graph contrastive learning (GCL), standing as the dominant paradigm in the realm of graph pre-training, has yielded considerable progress. Nonetheless, its capacity for out-of-distribution (OOD) generalization has been relatively…

Machine Learning · Computer Science 2024-05-28 Zixu Wang , Bingbing Xu , Yige Yuan , Huawei Shen , Xueqi Cheng

A serious problem in image classification is that a trained model might perform well for input data that originates from the same distribution as the data available for model training, but performs much worse for out-of-distribution (OOD)…

Computer Vision and Pattern Recognition · Computer Science 2021-12-07 Rajat Koner , Poulami Sinhamahapatra , Karsten Roscher , Stephan Günnemann , Volker Tresp

Graph foundation models (GFMs) seek transferable representations across graph domains but are limited by structural heterogeneity and incompatible node feature spaces. We propose Structure-Centric Graph Foundation Models (SCGFM), which…

Machine Learning · Computer Science 2026-05-12 Xiaodong He , Haolan He , Ruiyi Fang , Ming Sun , Zhao Kang

Due to the performance degradation of graph neural networks (GNNs) under distribution shifts, the work on out-of-distribution (OOD) generalization on graphs has received widespread attention. A novel perspective involves distinguishing…

Machine Learning · Computer Science 2024-06-04 Haoran Yang , Xiaobing Pei , Kai Yuan

To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this paper, we critically…

Machine Learning · Computer Science 2025-07-03 Yucen Lily Li , Daohan Lu , Polina Kirichenko , Shikai Qiu , Tim G. J. Rudner , C. Bayan Bruss , Andrew Gordon Wilson

Machine learning systems generally assume that the training and testing distributions are the same. To this end, a key requirement is to develop models that can generalize to unseen distributions. Domain generalization (DG), i.e.,…

Machine Learning · Computer Science 2022-05-25 Jindong Wang , Cuiling Lan , Chang Liu , Yidong Ouyang , Tao Qin , Wang Lu , Yiqiang Chen , Wenjun Zeng , Philip S. Yu

Graph-structured data exhibits universality and widespread applicability across diverse domains, such as social network analysis, biochemistry, financial fraud detection, and network security. Significant strides have been made in…

Machine Learning · Computer Science 2025-11-06 Wei Ju , Siyu Yi , Yifan Wang , Zhiping Xiao , Zhengyang Mao , Hourun Li , Yiyang Gu , Yifang Qin , Nan Yin , Senzhang Wang , Xinwang Liu , Philip S. Yu , Ming Zhang

One of the most challenging problems in graph machine learning is generalizing across graphs with diverse properties. Graph neural networks (GNNs) face a fundamental limitation: they require separate training for each new graph, preventing…

Machine Learning · Computer Science 2026-04-22 Jeongwhan Choi , Jongwoo Kim , Woosung Kang , Noseong Park

Out-of-distribution (OOD) generalization remains a fundamental challenge in real-world classification, where test distributions often differ substantially from training data. Most existing approaches pursue domain-invariant representations,…

Machine Learning · Computer Science 2026-01-30 Chen Cheng , Ang Li

Graph Neural Networks (GNNs) are widely used for node classification tasks but often fail to generalize when training and test nodes come from different distributions, limiting their practicality. To overcome this, recent approaches adopt…

Machine Learning · Computer Science 2024-06-04 Weihuang Zheng , Jiashuo Liu , Jiaxing Li , Jiayun Wu , Peng Cui , Youyong Kong

As graph representation learning often suffers from label scarcity problems in real-world applications, researchers have proposed graph domain adaptation (GDA) as an effective knowledge-transfer paradigm across graphs. In particular, to…

Machine Learning · Computer Science 2024-12-31 Boshen Shi , Yongqing Wang , Fangda Guo , Bingbing Xu , Huawei Shen , Xueqi Cheng

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general…

Machine Learning · Computer Science 2023-05-11 Mingqi Yang , Wenjie Feng , Yanming Shen , Bryan Hooi

Deep Metric Learning (DML) aims to find representations suitable for zero-shot transfer to a priori unknown test distributions. However, common evaluation protocols only test a single, fixed data split in which train and test classes are…

Machine Learning · Computer Science 2021-11-30 Timo Milbich , Karsten Roth , Samarth Sinha , Ludwig Schmidt , Marzyeh Ghassemi , Björn Ommer

When presented with Out-of-Distribution (OOD) examples, deep neural networks yield confident, incorrect predictions. Detecting OOD examples is challenging, and the potential risks are high. In this paper, we propose to detect OOD examples…

Machine Learning · Computer Science 2020-01-10 Chandramouli Shama Sastry , Sageev Oore

Deep learning (DL) has driven broad advances across scientific and engineering domains. Despite its success, DL models often exhibit limited interpretability and generalization, which can undermine trust, especially in safety-critical…

Machine Learning · Computer Science 2026-01-14 Atefeh Termehchi , Ekram Hossain , Isaac Woungang

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Designing a single model to address multiple tasks has been a long-standing objective in artificial intelligence. Recently, large language models have demonstrated exceptional capability in solving different tasks within the language…

Machine Learning · Computer Science 2024-07-16 Hao Liu , Jiarui Feng , Lecheng Kong , Ningyue Liang , Dacheng Tao , Yixin Chen , Muhan Zhang

Graphs are a central representation in biomedical research, capturing molecular interaction networks, gene regulatory circuits, cell--cell communication maps, and knowledge graphs. Despite their importance, currently there is not a broadly…

Machine Learning · Computer Science 2026-04-09 Sakib Mostafa , Lei Xing , Md. Tauhidul Islam

While foundation models have revolutionized such fields as natural language processing and computer vision, their potential in graph machine learning remains largely unexplored. One of the key challenges in designing graph foundation models…

Machine Learning · Computer Science 2025-09-24 Dmitry Eremeev , Gleb Bazhenov , Oleg Platonov , Artem Babenko , Liudmila Prokhorenkova
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