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Out-of-distribution (OOD) generalization on graphs aims at dealing with scenarios where the test graph distribution differs from the training graph distributions. Compared to i.i.d. data like images, the OOD generalization problem on…

Machine Learning · Computer Science 2025-02-13 Song Wang , Zhen Tan , Yaochen Zhu , Chuxu Zhang , Jundong Li

This paper introduces a new framework for recovering causal graphs from observational data, leveraging the observation that the distribution of an effect, conditioned on its causes, remains invariant to changes in the prior distribution of…

Machine Learning · Computer Science 2026-02-04 Nang Hung Nguyen , Phi Le Nguyen , Thao Nguyen Truong , Trong Nghia Hoang , Masashi Sugiyama

Invariant Causal Prediction (Peters et al., 2016) is a technique for out-of-distribution generalization which assumes that some aspects of the data distribution vary across the training set but that the underlying causal mechanisms remain…

Machine Learning · Computer Science 2021-03-30 Elan Rosenfeld , Pradeep Ravikumar , Andrej Risteski

There is increasing evidence suggesting neural networks' sensitivity to distribution shifts, so that research on out-of-distribution (OOD) generalization comes into the spotlight. Nonetheless, current endeavors mostly focus on Euclidean…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Hengrui Zhang , Junchi Yan , David Wipf

The application of machine learning models can be significantly impeded by the occurrence of distributional shifts, as the assumption of homogeneity between the population of training and testing samples in machine learning and statistics…

Machine Learning · Statistics 2023-06-06 Wenlu Tang , Zicheng Liu

The Invariant Risk Minimization (IRM) framework aims to learn invariant features from a set of environments for solving the out-of-distribution (OOD) generalization problem. The underlying assumption is that the causal components of the…

Machine Learning · Computer Science 2021-12-28 Moulik Choraria , Ibtihal Ferwana , Ankur Mani , Lav R. Varshney

In this paper, the causal bandit problem is investigated, with the objective of maximizing the long-term reward by selecting an optimal sequence of interventions on nodes in an unknown causal graph. It is assumed that both the causal…

Machine Learning · Computer Science 2025-06-30 Chen Peng , Di Zhang , Urbashi Mitra

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

The existing methods learn geographic network representations through deep graph neural networks (GNNs) based on the i.i.d. assumption. However, the spatial heterogeneity and temporal dynamics of geographic data make the out-of-distribution…

Machine Learning · Computer Science 2025-03-26 Yuhan Wang , Silu He , Qinyao Luo , Hongyuan Yuan , Ling Zhao , Jiawei Zhu , Haifeng Li

Visual representations underlie object recognition tasks, but they often contain both robust and non-robust features. Our main observation is that image classifiers may perform poorly on out-of-distribution samples because spurious…

Computer Vision and Pattern Recognition · Computer Science 2022-04-27 Chengzhi Mao , Kevin Xia , James Wang , Hao Wang , Junfeng Yang , Elias Bareinboim , Carl Vondrick

Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby…

Machine Learning · Computer Science 2025-07-08 Can Xu , Yao Cheng , Jianxiang Yu , Haosen Wang , Jingsong Lv , Yao Liu , Xiang Li

Analyzing the geometry of correlation sets constrained by general causal structures is of paramount importance for foundational and quantum technology research. Addressing this task is generally challenging, prompting the development of…

In the past decades, machine learning with Empirical Risk Minimization (ERM) has demonstrated great capability in learning and exploiting the statistical patterns from data, or even surpassing humans. Despite the success, ERM avoids the…

Machine Learning · Computer Science 2025-06-17 Yongqiang Chen

Recently, invariant risk minimization (IRM) was proposed as a promising solution to address out-of-distribution (OOD) generalization. However, it is unclear when IRM should be preferred over the widely-employed empirical risk minimization…

Machine Learning · Computer Science 2022-08-22 Kartik Ahuja , Jun Wang , Amit Dhurandhar , Karthikeyan Shanmugam , Kush R. Varshney

Despite recent success in using the invariance principle for out-of-distribution (OOD) generalization on Euclidean data (e.g., images), studies on graph data are still limited. Different from images, the complex nature of graphs poses…

Machine Learning · Computer Science 2022-10-12 Yongqiang Chen , Yonggang Zhang , Yatao Bian , Han Yang , Kaili Ma , Binghui Xie , Tongliang Liu , Bo Han , James Cheng

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

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

In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be…

Machine Learning · Computer Science 2023-11-02 Gleb Bazhenov , Denis Kuznedelev , Andrey Malinin , Artem Babenko , Liudmila Prokhorenkova

Spatiotemporal prediction over graphs (STPG) is challenging, because real-world data suffers from the Out-of-Distribution (OOD) generalization problem, where test data follow different distributions from training ones. To address this…

Machine Learning · Computer Science 2025-01-03 Zhaobin Mo , Haotian Xiang , Xuan Di

Reasoning based on causality, instead of association has been considered as a key ingredient towards real machine intelligence. However, it is a challenging task to infer causal relationship/structure among variables. In recent years, an…

Machine Learning · Computer Science 2019-09-15 Zhitang Chen , Shengyu Zhu , Yue Liu , Tim Tse
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