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Generalization to out-of-distribution (OOD) data is one of the central problems in modern machine learning. Recently, there is a surge of attempts to propose algorithms that mainly build upon the idea of extracting invariant features.…

Machine Learning · Computer Science 2021-11-09 Haotian Ye , Chuanlong Xie , Tianle Cai , Ruichen Li , Zhenguo Li , Liwei Wang

In neuroscience, identifying distinct patterns linked to neurological disorders, such as Alzheimer's and Autism, is critical for early diagnosis and effective intervention. Graph Neural Networks (GNNs) have shown promising in analyzing…

Machine Learning · Computer Science 2025-02-05 Jiaxing Xu , Yongqiang Chen , Xia Dong , Mengcheng Lan , Tiancheng Huang , Qingtian Bian , James Cheng , Yiping Ke

Recently, Out-of-distribution (OOD) detection in dynamic graphs, which aims to identify whether incoming data deviates from the distribution of the in-distribution (ID) training set, has garnered considerable attention in security-sensitive…

Machine Learning · Computer Science 2025-06-16 Nan Sun , Xixun Lin , Zhiheng Zhou , Yanmin Shang , Zhenlin Cheng , Yanan Cao

Background. Commonly, Deep Neural Networks (DNNs) generalize well on samples drawn from a distribution similar to that of the training set. However, DNNs' predictions are brittle and unreliable when the test samples are drawn from a…

Machine Learning · Computer Science 2022-04-01 Matan Haroush , Tzviel Frostig , Ruth Heller , Daniel Soudry

Neural networks (NNs), despite their success and wide adoption, still struggle to extrapolate out-of-distribution (OOD), i.e., to inputs that are not well-represented by their training dataset. Addressing the OOD generalization gap is…

Machine Learning · Computer Science 2025-04-01 Robert R. Nerem , Samantha Chen , Sanjoy Dasgupta , Yusu Wang

Supervised learning aims to train a classifier under the assumption that training and test data are from the same distribution. To ease the above assumption, researchers have studied a more realistic setting: out-of-distribution (OOD)…

Machine Learning · Computer Science 2023-02-28 Zhen Fang , Yixuan Li , Jie Lu , Jiahua Dong , Bo Han , Feng Liu

Effective out-of-distribution (OOD) detection is crucial for reliable machine learning models, yet most current methods are limited in practical use due to requirements like access to training data or intervention in training. We present a…

Machine Learning · Computer Science 2024-03-13 Fran Jelenić , Josip Jukić , Martin Tutek , Mate Puljiz , Jan Šnajder

Out-of-distribution (OOD) generalization is a challenging machine learning problem yet highly desirable in many high-stake applications. Existing methods suffer from overly pessimistic modeling with low generalization confidence. As…

Machine Learning · Computer Science 2024-06-10 Fengchun Qiao , Xi Peng

Most deep-learning-based image classification methods assume that all samples are generated under an independent and identically distributed (IID) setting. However, out-of-distribution (OOD) generalization is more common in practice, which…

Machine Learning · Computer Science 2022-02-24 Xin Guo , Zhengxu Yu , Chao Xiang , Zhongming Jin , Jianqiang Huang , Deng Cai , Xiaofei He , Xian-Sheng Hua

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

There has been a massive increase in research interest towards applying data driven methods to problems in mechanics. While traditional machine learning (ML) methods have enabled many breakthroughs, they rely on the assumption that the…

Machine Learning · Statistics 2022-09-16 Lingxiao Yuan , Harold S. Park , Emma Lejeune

Out-of-distribution (OOD) detection is a critical task for ensuring the reliability and safety of deep neural networks in real-world scenarios. Different from most previous OOD detection methods that focus on designing OOD scores or…

Computer Vision and Pattern Recognition · Computer Science 2022-10-11 Yao Zhu , YueFeng Chen , Chuanlong Xie , Xiaodan Li , Rong Zhang , Hui Xue , Xiang Tian , bolun zheng , Yaowu Chen

Out-of-Distribution (OOD) Generalization aims to learn robust models that generalize well to various environments without fitting to distribution-specific features. Recent studies based on Lottery Ticket Hypothesis (LTH) address this…

Machine Learning · Computer Science 2023-10-26 Zhuo Huang , Muyang Li , Li Shen , Jun Yu , Chen Gong , Bo Han , Tongliang Liu

Drug synergy prediction (DSP) aims to identify efficacious drug combinations under various cellular contexts with different targets. However, the continual emergence of novel compounds results in variations in molecular scaffolds and sizes,…

Machine Learning · Computer Science 2026-05-29 Xin Wang , Linxin Xiao , Yang Yao , Wenwu Zhu

In real-world applications, it is important and desirable to learn a model that performs well on out-of-distribution (OOD) data. Recently, causality has become a powerful tool to tackle the OOD generalization problem, with the idea resting…

Machine Learning · Statistics 2022-03-25 Ruoyu Wang , Mingyang Yi , Zhitang Chen , Shengyu Zhu

Out-of-distribution (OOD) detection identifies test samples that differ from the training data, which is critical to ensuring the safety and reliability of machine learning (ML) systems. While a plethora of methods have been developed to…

Computer Vision and Pattern Recognition · Computer Science 2024-12-30 Viet Duong , Qiong Wu , Zhengyi Zhou , Eric Zavesky , Jiahe Chen , Xiangzhou Liu , Wen-Ling Hsu , Huajie Shao

Machine learning models often fail to generalize well under distributional shifts. Understanding and overcoming these failures have led to a research field of Out-of-Distribution (OOD) generalization. Despite being extensively studied for…

Recent work has extended the invariance principle for out-of-distribution (OOD) generalization from Euclidean to graph data, where challenges arise due to complex structures and diverse distribution shifts in node attributes and topology.…

Machine Learning · Computer Science 2025-12-01 Ali Ghasemi , Farooq Ahmad Wani , Maria Sofia Bucarelli , Fabrizio Silvestri

Out-of-distribution (OoD) detection is a natural downstream task for deep generative models, due to their ability to learn the input probability distribution. There are mainly two classes of approaches for OoD detection using deep…

Machine Learning · Computer Science 2019-07-11 Yujia Huang , Sihui Dai , Tan Nguyen , Richard G. Baraniuk , Anima Anandkumar

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