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Deep neural networks (DNNs), while increasingly deployed in many applications, struggle with robustness against anomalous and out-of-distribution (OOD) data. Current OOD benchmarks often oversimplify, focusing on single-object tasks and not…

Computer Vision and Pattern Recognition · Computer Science 2024-09-30 Debargha Ganguly , Debayan Gupta , Vipin Chaudhary

Deep neural networks suffer from poor generalization to unseen environments when the underlying data distribution is different from that in the training set. By learning minimum sufficient representations from training data, the information…

Machine Learning · Computer Science 2021-10-13 Francesco Alesiani , Shujian Yu , Xi Yu

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

Graph Neural Networks (GNNs) often encounter significant performance degradation under distribution shifts between training and test data, hindering their applicability in real-world scenarios. Recent studies have proposed various methods…

Machine Learning · Computer Science 2025-09-09 Tianjun Yao , Haoxuan Li , Yongqiang Chen , Tongliang Liu , Le Song , Eric Xing , Zhiqiang Shen

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

Deep graph learning has gained grand popularity over the past years due to its versatility and success in representing graph data across a wide range of domains. However, the pervasive issue of imbalanced graph data distributions, where…

Machine Learning · Computer Science 2025-03-04 Jiawen Qin , Haonan Yuan , Qingyun Sun , Lyujin Xu , Jiaqi Yuan , Pengfeng Huang , Zhaonan Wang , Xingcheng Fu , Hao Peng , Jianxin Li , Philip S. Yu

This paper focuses on a significant yet challenging task: out-of-distribution detection (OOD detection), which aims to distinguish and reject test samples with semantic shifts, so as to prevent models trained on in-distribution (ID) data…

Computer Vision and Pattern Recognition · Computer Science 2026-05-26 Xiang Fang , Arvind Easwaran , Blaise Genest , Ponnuthurai Nagaratnam Suganthan

The development and evaluation of graph neural networks (GNNs) generally follow the independent and identically distributed (i.i.d.) assumption. Yet this assumption is often untenable in practice due to the uncontrollable data generation…

Machine Learning · Computer Science 2025-03-06 Yiming Xu , Bin Shi , Zhen Peng , Huixiang Liu , Bo Dong , Chen Chen

Graph Neural Networks (GNNs) have received extensive research attention due to their powerful information aggregation capabilities. Despite the success of GNNs, most of them suffer from the popularity bias issue in a graph caused by a small…

Machine Learning · Computer Science 2024-08-02 Yuntao Shou , Haozhi Lan , Xiangyong Cao

Dynamic graph neural networks (DyGNNs) currently struggle with handling distribution shifts that are inherent in dynamic graphs. Existing work on DyGNNs with out-of-distribution settings only focuses on the time domain, failing to handle…

Machine Learning · Computer Science 2024-03-11 Zeyang Zhang , Xin Wang , Ziwei Zhang , Zhou Qin , Weigao Wen , Hui Xue , Haoyang Li , Wenwu Zhu

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

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

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

To build safe and reliable graph machine learning systems, unsupervised graph-level anomaly detection (GLAD) and unsupervised graph-level out-of-distribution (OOD) detection (GLOD) have received significant attention in recent years. Though…

Machine Learning · Computer Science 2025-04-07 Yili Wang , Yixin Liu , Xu Shen , Chenyu Li , Kaize Ding , Rui Miao , Ying Wang , Shirui Pan , Xin Wang

One main challenge in imbalanced graph classification is to learn expressive representations of the graphs in under-represented (minority) classes. Existing generic imbalanced learning methods, such as oversampling and imbalanced learning…

Machine Learning · Computer Science 2024-05-20 Rongrong Ma , Guansong Pang , Ling Chen

Graph learning has become essential in various domains, including recommendation systems and social network analysis. Graph Neural Networks (GNNs) have emerged as promising techniques for encoding structural information and improving…

Machine Learning · Computer Science 2024-10-10 Lianghao Xia , Ben Kao , Chao Huang

Detecting out-of-distribution (OOD) nodes in the graph-based machine-learning field is challenging, particularly when in-distribution (ID) node multi-category labels are unavailable. Thus, we focus on feature space rather than label space…

Machine Learning · Computer Science 2025-10-24 Shenzhi Yang , Junbo Zhao , Sharon Li , Shouqing Yang , Dingyu Yang , Xiaofang Zhang , Haobo Wang

Time-series forecasting (TSF) finds broad applications in real-world scenarios. Due to the dynamic nature of time-series data, it is crucial to equip TSF models with out-of-distribution (OOD) generalization abilities, as historical training…

Machine Learning · Computer Science 2024-06-14 Haoxin Liu , Harshavardhan Kamarthi , Lingkai Kong , Zhiyuan Zhao , Chao Zhang , B. Aditya Prakash

Developing interpretable models for neurodevelopmental disorders (NDDs) diagnosis presents significant challenges in effectively encoding, decoding, and integrating multimodal neuroimaging data. While many existing machine learning…

Computer Vision and Pattern Recognition · Computer Science 2026-04-24 Yueyang Li , Lei Chen , Wenhao Dong , Shengyu Gong , Zijian Kang , Boyang Wei , Weiming Zeng , Hongjie Yan , Lingbin Bian , Zhiguo Zhang , Wai Ting Siok , Nizhuan Wang

Graph learning plays a pivotal role and has gained significant attention in various application scenarios, from social network analysis to recommendation systems, for its effectiveness in modeling complex data relations represented by graph…

Machine Learning · Computer Science 2024-03-08 Man Wu , Xin Zheng , Qin Zhang , Xiao Shen , Xiong Luo , Xingquan Zhu , Shirui Pan
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