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Graph-level representation learning is important in a wide range of applications. Existing graph-level models are generally built on i.i.d. assumption for both training and testing graphs. However, in an open world, models can encounter…

Machine Learning · Computer Science 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

Deep generative models have been demonstrated as state-of-the-art density estimators. Yet, recent work has found that they often assign a higher likelihood to data from outside the training distribution. This seemingly paradoxical behavior…

Machine Learning · Computer Science 2022-01-19 Jakob D. Havtorn , Jes Frellsen , Søren Hauberg , Lars Maaløe

For reliable deployment of deep-learning systems, out-of-distribution (OOD) detection is indispensable. In the real world, where test-time inputs often arrive as streaming mixtures of in-distribution (ID) and OOD samples under evolving…

Computer Vision and Pattern Recognition · Computer Science 2026-03-18 Wooseok Lee , Jin Mo Yang , Saewoong Bahk , Hyung-Sin Kim

We introduce four new real-world distribution shift datasets consisting of changes in image style, image blurriness, geographic location, camera operation, and more. With our new datasets, we take stock of previously proposed methods for…

Computer Vision and Pattern Recognition · Computer Science 2021-07-27 Dan Hendrycks , Steven Basart , Norman Mu , Saurav Kadavath , Frank Wang , Evan Dorundo , Rahul Desai , Tyler Zhu , Samyak Parajuli , Mike Guo , Dawn Song , Jacob Steinhardt , Justin Gilmer

Detecting out-of-distribution (OOD) data is critical for machine learning, be it for safety reasons or to enable open-ended learning. However, beyond mere detection, choosing an appropriate course of action typically hinges on the type of…

Machine Learning · Computer Science 2026-04-28 Achref Jaziri , Martin Rogmann , Martin Mundt , Visvanathan Ramesh

Learning models whose predictions are invariant under multiple environments is a promising approach for out-of-distribution generalization. Such models are trained to extract features $X_{\text{inv}}$ where the conditional distribution $Y…

Machine Learning · Computer Science 2024-07-29 Gina Wong , Joshua Gleason , Rama Chellappa , Yoav Wald , Anqi Liu

Enhancing the stability of machine learning algorithms under distributional shifts is at the heart of the Out-of-Distribution (OOD) Generalization problem. Derived from causal learning, recent works of invariant learning pursue strict…

Machine Learning · Computer Science 2024-02-15 Jiashuo Liu , Jiayun Wu , Jie Peng , Xiaoyu Wu , Yang Zheng , Bo Li , Peng Cui

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

Clinical machine learning models show a significant performance drop when tested in settings not seen during training. Domain generalisation models promise to alleviate this problem, however, there is still scepticism about whether they…

Machine Learning · Computer Science 2022-11-14 Dimitris Spathis , Stephanie L. Hyland

Traditional machine learning paradigms are based on the assumption that both training and test data follow the same statistical pattern, which is mathematically referred to as Independent and Identically Distributed ($i.i.d.$). However, in…

Machine Learning · Computer Science 2023-07-28 Jiashuo Liu , Zheyan Shen , Yue He , Xingxuan Zhang , Renzhe Xu , Han Yu , Peng Cui

Improving the reliability of deployed machine learning systems often involves developing methods to detect out-of-distribution (OOD) inputs. However, existing research often narrowly focuses on samples from classes that are absent from the…

Machine Learning · Computer Science 2024-12-11 Charles Guille-Escuret , Pierre-André Noël , Ioannis Mitliagkas , David Vazquez , Joao Monteiro

When deploying a trained machine learning model in the real world, it is inevitable to receive inputs from out-of-distribution (OOD) sources. For instance, in continual learning settings, it is common to encounter OOD samples due to the…

Machine Learning · Computer Science 2024-01-23 Chuanwen Feng , Wenlong Chen , Ao Ke , Yilong Ren , Xike Xie , S. Kevin Zhou

Instance-dependent label noise is realistic but rather challenging, where the label-corruption process depends on instances directly. It causes a severe distribution shift between the distributions of training and test data, which impairs…

Machine Learning · Computer Science 2022-10-12 Manyi Zhang , Yuxin Ren , Zihao Wang , Chun Yuan

Detecting out-of-distribution (OOD) graphs is crucial for ensuring the safety and reliability of Graph Neural Networks. In unsupervised graph-level OOD detection, models are typically trained using only in-distribution (ID) data, resulting…

Machine Learning · Computer Science 2026-03-03 Li Sun , Lanxu Yang , Jiayu Tian , Bowen Fang , Xiaoyan Yu , Junda Ye , Peng Tang , Hao Peng , Philip S. Yu

Many existing approaches for estimating parameters in settings with distributional shifts operate under an invariance assumption. For example, under covariate shift, it is assumed that $p(y|x)$ remains invariant. We refer to such…

Methodology · Statistics 2025-02-07 Yujin Jeong , Dominik Rothenhäusler

Systematics contaminate observables, leading to distribution shifts relative to theoretically simulated signals-posing a major challenge for using pre-trained models to label such observables. Since systematics are often poorly understood…

Instrumentation and Methods for Astrophysics · Physics 2025-11-18 Sultan Hassan , Sambatra Andrianomena , Benjamin D. Wandelt

Diffusion models have emerged as powerful generative models for graph generation, yet their use for conditional graph generation remains a fundamental challenge. In particular, guiding diffusion models on graphs under arbitrary reward…

Machine Learning · Computer Science 2025-05-27 Victor M. Tenorio , Nicolas Zilberstein , Santiago Segarra , Antonio G. Marques

We consider the problem of learning a graph from a finite set of noisy graph signal observations, the goal of which is to find a smooth representation of the graph signal. Such a problem is motivated by the desire to infer relational…

Machine Learning · Computer Science 2023-02-08 Xiaolu Wang , Yuen-Man Pun , Anthony Man-Cho So

We study the problem of generating graph signals from unknown distributions defined over given graphs, relevant to domains such as recommender systems or sensor networks. Our approach builds on generative diffusion models, which are well…

Machine Learning · Computer Science 2025-10-07 Sergio Rozada , Vimal K. B. , Andrea Cavallo , Antonio G. Marques , Hadi Jamali-Rad , Elvin Isufi

Faced with data-driven policies, individuals will manipulate their features to obtain favorable decisions. While earlier works cast these manipulations as undesirable gaming, recent works have adopted a more nuanced causal framing in which…

Machine Learning · Computer Science 2023-02-22 Tom Yan , Shantanu Gupta , Zachary Lipton