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Despite enormous successful applications of graph neural networks (GNNs), theoretical understanding of their generalization ability, especially for node-level tasks where data are not independent and identically-distributed (IID), has been…

Machine Learning · Computer Science 2021-12-01 Jiaqi Ma , Junwei Deng , Qiaozhu Mei

Out-of-distribution detection is an important capability that has long eluded vanilla neural networks. Deep Neural networks (DNNs) tend to generate over-confident predictions when presented with inputs that are significantly…

Machine Learning · Computer Science 2022-02-24 Sumedh A Sontakke , Buvaneswari Ramanan , Laurent Itti , Thomas Woo

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

We characterized the generalization capabilities of DNN-based encoding models when predicting neuronal responses from the visual cortex. We collected \textit{MacaqueITBench}, a large-scale dataset of neural population responses from the…

Signal Processing · Electrical Eng. & Systems 2024-06-26 Spandan Madan , Will Xiao , Mingran Cao , Hanspeter Pfister , Margaret Livingstone , Gabriel Kreiman

Graph Neural Networks (GNNs) have achieved significant success in machine learning, with wide applications in social networks, bioinformatics, knowledge graphs, and other fields. Most research assumes ideal closed-set environments. However,…

Machine Learning · Computer Science 2025-03-04 Yicong Dong , Rundong He , Guangyao Chen , Wentao Zhang , Zhongyi Han , Jieming Shi , Yilong Yin

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) 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

The discrepancy between in-distribution (ID) and out-of-distribution (OOD) samples can lead to \textit{distributional vulnerability} in deep neural networks, which can subsequently lead to high-confidence predictions for OOD samples. This…

Machine Learning · Computer Science 2023-10-03 Zhilin Zhao , Longbing Cao , Kun-Yu Lin

Graph Neural Networks (GNNs) often struggle to generalize when graphs exhibit both homophily (same-class connections) and heterophily (different-class connections). Specifically, GNNs tend to underperform for nodes with local homophily…

Machine Learning · Computer Science 2024-10-08 Donald Loveland , Danai Koutra

Detecting out-of-distribution (OOD) samples is essential for ensuring the reliability of deep neural networks (DNNs) in real-world scenarios. While previous research has predominantly investigated the disparity between in-distribution (ID)…

Computer Vision and Pattern Recognition · Computer Science 2024-07-23 Yingwen Wu , Tao Li , Xinwen Cheng , Jie Yang , Xiaolin Huang

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

Machine learning-based simulators offer the potential to model the dynamics of complex systems more efficiently than classical approaches, while retaining differentiability, a key property for materials design. Graph neural network…

Chemical Physics · Physics 2026-05-12 S. A. Shteingolts , Salman N. Salman , Dan Mendels

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in tackling a wide array of graph-related tasks across diverse domains. However, a significant challenge lies in their propensity to generate biased predictions,…

Machine Learning · Computer Science 2025-01-03 Abdullah Alchihabi , Yuhong Guo

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

By design, discriminatively trained neural network classifiers produce reliable predictions only for in-distribution samples. For their real-world deployments, detecting out-of-distribution (OOD) samples is essential. Assuming OOD to be…

Machine Learning · Computer Science 2019-10-11 Sachin Vernekar , Ashish Gaurav , Vahdat Abdelzad , Taylor Denouden , Rick Salay , Krzysztof Czarnecki

Out-of-distribution (OOD) detection is crucial when deploying deep neural networks in the real world to ensure the reliability and safety of their applications. One main challenge in OOD detection is that neural network models often produce…

Computer Vision and Pattern Recognition · Computer Science 2025-10-15 Jinlun Ye , Zhuohao Sun , Yiqiao Qiu , Qiu Li , Zhijun Tan , Ruixuan Wang

This paper presents a novel evaluation framework for Out-of-Distribution (OOD) detection that aims to assess the performance of machine learning models in more realistic settings. We observed that the real-world requirements for testing OOD…

Computer Vision and Pattern Recognition · Computer Science 2023-09-01 Vahid Reza Khazaie , Anthony Wong , Mohammad Sabokrou

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

In this work, we study out-of-distribution (OOD) generalization in meta-reinforcement learning from an information-theoretic perspective. We begin by establishing OOD generalization bounds for meta-supervised learning under two distinct…

Machine Learning · Computer Science 2026-04-07 Xingtu Liu

Although recent advances in machine learning have shown its success to learn from independent and identically distributed (IID) data, it is vulnerable to out-of-distribution (OOD) data in an open world. Domain generalization (DG) deals with…

Machine Learning · Computer Science 2024-05-14 Thai-Hoang Pham , Xueru Zhang , Ping Zhang