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Related papers: Generative Risk Minimization for Out-of-Distributi…

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We study the Out-of-Distribution (OOD) generalization in machine learning and propose a general framework that establishes information-theoretic generalization bounds. Our framework interpolates freely between Integral Probability Metric…

Information Theory · Computer Science 2024-12-16 Wenliang Liu , Guanding Yu , Lele Wang , Renjie Liao

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

Enhancing node-level Out-Of-Distribution (OOD) generalization on graphs remains a crucial area of research. In this paper, we develop a Structural Causal Model (SCM) to theoretically dissect the performance of two prominent invariant…

Machine Learning · Computer Science 2025-01-06 Qixun Wang , Yifei Wang , Yisen Wang , Xianghua Ying

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

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

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

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 neural networks have found widespread adoption in solving complex tasks ranging from image recognition to natural language processing. However, these networks make confident mispredictions when presented with data that does not belong…

Machine Learning · Computer Science 2020-12-16 Deepak Ravikumar , Sangamesh Kodge , Isha Garg , Kaushik Roy

Out-of-distribution (OOD) generalization is an important issue for Graph Neural Networks (GNNs). Recent works employ different graph editions to generate augmented environments and learn an invariant GNN for generalization. However, the…

Machine Learning · Computer Science 2023-03-28 Junchi Yu , Jian Liang , Ran He

Deep generative models (DGMs) seem a natural fit for detecting out-of-distribution (OOD) inputs, but such models have been shown to assign higher probabilities or densities to OOD images than images from the training distribution. In this…

Machine Learning · Computer Science 2021-07-20 Lily H. Zhang , Mark Goldstein , Rajesh Ranganath

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

Recently, we have witnessed generative retrieval increasingly gaining attention in the information retrieval (IR) field, which retrieves documents by directly generating their identifiers. So far, much effort has been devoted to developing…

Information Retrieval · Computer Science 2023-06-23 Yu-An Liu , Ruqing Zhang , Jiafeng Guo , Wei Chen , Xueqi Cheng

Discriminative neural networks offer little or no performance guarantees when deployed on data not generated by the same process as the training distribution. On such out-of-distribution (OOD) inputs, the prediction may not only be…

The invariance principle from causality is at the heart of notable approaches such as invariant risk minimization (IRM) that seek to address out-of-distribution (OOD) generalization failures. Despite the promising theory, invariance…

In this paper, we study the OOD generalization of neural algorithmic reasoning tasks, where the goal is to learn an algorithm (e.g., sorting, breadth-first search, and depth-first search) from input-output pairs using deep neural networks.…

Machine Learning · Computer Science 2023-03-21 Sadegh Mahdavi , Kevin Swersky , Thomas Kipf , Milad Hashemi , Christos Thrampoulidis , Renjie Liao

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

Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancing optimization objectives that regularize models to capture…

Machine Learning · Computer Science 2023-03-03 Yongqiang Chen , Kaiwen Zhou , Yatao Bian , Binghui Xie , Bingzhe Wu , Yonggang Zhang , Kaili Ma , Han Yang , Peilin Zhao , Bo Han , James Cheng

A key challenge in graph out-of-distribution (OOD) detection lies in the absence of ground-truth OOD samples during training. Existing methods are typically optimized to capture features within the in-distribution (ID) data and calculate…

Machine Learning · Computer Science 2025-11-25 Yue Hou , Ruomei Liu , Yingke Su , Junran Wu , Ke Xu

Learning on molecule graphs has become an increasingly important topic in AI for science, which takes full advantage of AI to facilitate scientific discovery. Existing solutions on modeling molecules utilize Graph Neural Networks (GNNs) to…

Machine Learning · Computer Science 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

Few-shot Out-of-Distribution (OOD) detection has emerged as a critical research direction in machine learning for practical deployment. Most existing Few-shot OOD detection methods suffer from insufficient generalization capability for the…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Pinxuan Li , Bing Cao , Changqing Zhang , Qinghua Hu
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