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Explainability of graph neural networks (GNNs) aims to answer "Why the GNN made a certain prediction?", which is crucial to interpret the model prediction. The feature attribution framework distributes a GNN's prediction to its input…

Machine Learning · Computer Science 2022-02-02 Ying-Xin Wu , Xiang Wang , An Zhang , Xia Hu , Fuli Feng , Xiangnan He , Tat-Seng Chua

Deep learning has been demonstrated with tremendous success in recent years. Despite so, its performance in practice often degenerates drastically when encountering out-of-distribution (OoD) data, i.e. training and test data are sampled…

Computer Vision and Pattern Recognition · Computer Science 2024-10-30 Haoyue Bai

We study the problem of lifelong graph learning in an open-world scenario, where a model needs to deal with new tasks and potentially unknown classes. We utilize Out-of-Distribution (OOD) detection methods to recognize new classes and adapt…

Machine Learning · Computer Science 2023-10-20 Marcel Hoffmann , Lukas Galke , Ansgar Scherp

One of the challenges for neural networks in real-life applications is the overconfident errors these models make when the data is not from the original training distribution. Addressing this issue is known as Out-of-Distribution (OOD)…

Computer Vision and Pattern Recognition · Computer Science 2024-07-24 Sina Sharifi , Taha Entesari , Bardia Safaei , Vishal M. Patel , Mahyar Fazlyab

Out-of-Distribution (OOD) generalization, a cornerstone for building robust machine learning models capable of handling data diverging from the training set's distribution, is an ongoing challenge in deep learning. While significant…

Machine Learning · Computer Science 2023-12-05 Sergey Kolesnikov

Graph Out-of-Distribution (OOD) classification often suffers from sharp performance drops, particularly under category imbalance and structural noise. This work tackles two pressing challenges in this context: (1) the underperformance of…

Machine Learning · Computer Science 2025-06-25 Yang Zhou , Xiaoning Ren

Graph machine learning (GML) has been successfully applied across a wide range of tasks. Nonetheless, GML faces significant challenges in generalizing over out-of-distribution (OOD) data, which raises concerns about its wider applicability.…

Machine Learning · Computer Science 2024-10-17 Jing Ma

Out-of-distribution (OOD) detection is important for deploying machine learning models in the real world, where test data from shifted distributions can naturally arise. While a plethora of algorithmic approaches have recently emerged for…

Machine Learning · Computer Science 2021-12-03 Peyman Morteza , Yixuan Li

Encouraging progress has been made towards Visual Question Answering (VQA) in recent years, but it is still challenging to enable VQA models to adaptively generalize to out-of-distribution (OOD) samples. Intuitively, recompositions of…

Computer Vision and Pattern Recognition · Computer Science 2021-10-05 Jingjing Jiang , Ziyi Liu , Yifan Liu , Zhixiong Nan , Nanning Zheng

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

Out-of-distribution (OOD) detection in graphs is critical for ensuring model robustness in open-world and safety-sensitive applications. Existing graph OOD detection approaches typically train an in-distribution (ID) classifier on ID data…

Machine Learning · Computer Science 2025-05-20 Haoyan Xu , Zhengtao Yao , Ziyi Wang , Zhan Cheng , Xiyang Hu , 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

Living in a complex world like ours makes it unacceptable that a practical implementation of a machine learning system assumes a closed world. Therefore, it is necessary for such a learning-based system in a real world environment, to be…

Computer Vision and Pattern Recognition · Computer Science 2020-03-05 Jens Bayer , David Münch , Michael Arens

Detecting and rejecting unknown out-of-distribution (OOD) samples is critical for deployed neural networks to void unreliable predictions. In real-world scenarios, however, the efficacy of existing OOD detection methods is often impeded by…

Computer Vision and Pattern Recognition · Computer Science 2024-11-01 Kai Liu , Zhihang Fu , Sheng Jin , Chao Chen , Ze Chen , Rongxin Jiang , Fan Zhou , Yaowu Chen , Jieping Ye

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

Out-of-distribution (OOD) detection empowers the model trained on the closed image set to identify unknown data in the open world. Though many prior techniques have yielded considerable improvements in this research direction, two crucial…

Computer Vision and Pattern Recognition · Computer Science 2024-01-18 Sen Pei

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Machine Learning · Computer Science 2023-10-27 Hyungeun Lee , Kijung Yoon

Detecting out-of-distribution (OOD) data is essential for safe deployment of deep neural networks (DNNs). This problem becomes particularly challenging in the presence of long-tailed in-distribution (ID) datasets, often leading to high…

Computer Vision and Pattern Recognition · Computer Science 2025-11-25 Nimeshika Udayangani , Hadi M. Dolatabadi , Sarah Erfani , Christopher Leckie

Neural networks are often utilised in critical domain applications (e.g. self-driving cars, financial markets, and aerospace engineering), even though they exhibit overconfident predictions for ambiguous inputs. This deficiency demonstrates…

Machine Learning · Computer Science 2023-01-03 John Mitros , Brian Mac Namee

Graph Neural Networks (GNNs) are susceptible to distribution shifts, creating vulnerability and security issues in critical domains. There is a pressing need to enhance the generalizability of GNNs on out-of-distribution (OOD) test data.…

Machine Learning · Computer Science 2024-10-29 Xiaoxue Han , Huzefa Rangwala , Yue Ning
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