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We tackle the problem of graph out-of-distribution (OOD) generalization. Existing graph OOD algorithms either rely on restricted assumptions or fail to exploit environment information in training data. In this work, we propose to…

Machine Learning · Computer Science 2023-11-02 Shurui Gui , Meng Liu , Xiner Li , Youzhi Luo , Shuiwang Ji

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

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

Causal discovery from observational data is challenging, especially with large datasets and complex relationships. Traditional methods often struggle with scalability and capturing global structural information. To overcome these…

Machine Learning · Computer Science 2025-07-29 Rezaur Rashid , Gabriel Terejanu

In graph classification, attention and pooling-based graph neural networks (GNNs) prevail to extract the critical features from the input graph and support the prediction. They mostly follow the paradigm of learning to attend, which…

Machine Learning · Computer Science 2022-06-14 Yongduo Sui , Xiang Wang , Jiancan Wu , Min Lin , Xiangnan He , Tat-Seng Chua

Despite notable successes of Reinforcement Learning (RL), the prevalent use of an online learning paradigm prevents its widespread adoption, especially in hazardous or costly scenarios. Offline RL has emerged as an alternative solution,…

Machine Learning · Computer Science 2024-05-08 Minjae Cho , Jonathan P. How , Chuangchuang Sun

Distribution shifts introduce uncertainty that undermines the robustness and generalization capabilities of machine learning models. While conventional wisdom suggests that learning causal-invariant representations enhances robustness to…

Machine Learning · Computer Science 2025-05-28 Abbavaram Gowtham Reddy , Celia Rubio-Madrigal , Rebekka Burkholz , Krikamol Muandet

Graph Out-of-Distribution (OOD), requiring that models trained on biased data generalize to the unseen test data, has considerable real-world applications. One of the most mainstream methods is to extract the invariant subgraph by aligning…

Machine Learning · Computer Science 2024-07-23 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

Out-of-distribution (OoD) generalization occurs when representation learning encounters a distribution shift. This occurs frequently in practice when training and testing data come from different environments. Covariate shift is a type of…

Machine Learning · Computer Science 2026-04-22 Simon Zhang , Ryan P. DeMilt , Kun Jin , Cathy H. Xia

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

Out-of-distribution (OOD) generalisation aims to build a model that can generalise well on an unseen target domain using knowledge from multiple source domains. To this end, the model should seek the causal dependence between inputs and…

Computer Vision and Pattern Recognition · Computer Science 2023-06-14 Toan Nguyen , Kien Do , Duc Thanh Nguyen , Bao Duong , Thin Nguyen

Graphs are a fundamental data structure for representing relational information in domains such as social networks, molecular systems, and knowledge graphs. However, graph learning models often suffer from limited generalization when…

Machine Learning · Computer Science 2026-01-30 Haoyang Li , Haibo Chen , Xin Wang , Wenwu Zhu

Classification tasks based on feature vectors can be significantly improved by including within deep learning a graph that summarises pairwise relationships between the samples. Intuitively, the graph acts as a conduit to channel and bias…

Machine Learning · Computer Science 2019-09-27 Robert L. Peach , Alexis Arnaudon , Mauricio Barahona

This paper studies causal inference with observational data from a single large network. We consider a nonparametric model with interference in both potential outcomes and selection into treatment. Specifically, both stages may be the…

Econometrics · Economics 2025-12-30 Michael P. Leung , Pantelis Loupos

Machine learning can benefit from causal discovery for interpretation and from causal inference for generalization. In this line of research, a few invariant learning algorithms for out-of-distribution (OOD) generalization have been…

Machine Learning · Computer Science 2023-04-06 Borja Guerrero Santillan

Graphs Neural Networks (GNNs) demonstrate high-performance on the link prediction (LP) task. However, these models often rely on all dataset samples being drawn from the same distribution. In addition, graph generative models (GGMs) show a…

Machine Learning · Computer Science 2025-07-17 Jay Revolinsky , Harry Shomer , Jiliang Tang

Traditional machine learning methods heavily rely on the independent and identically distribution assumption, which imposes limitations when the test distribution deviates from the training distribution. To address this crucial issue,…

Machine Learning · Computer Science 2024-03-26 Qin Tian , Wenjun Wang , Chen Zhao , Minglai Shao , Wang Zhang , Dong Li

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are…

Machine Learning · Computer Science 2022-11-09 Yixin Liu , Kaize Ding , Huan Liu , Shirui Pan

There has been a growing interest in developing diffusion-based Graph Neural Networks (GNNs), building on the connections between message passing mechanisms in GNNs and physical diffusion processes. However, existing methods suffer from…

Machine Learning · Computer Science 2025-08-18 Asela Hevapathige , Asiri Wijesinghe , Ahad N. Zehmakan

Causal reasoning can be considered a cornerstone of intelligent systems. Having access to an underlying causal graph comes with the promise of cause-effect estimation and the identification of efficient and safe interventions. However,…

Machine Learning · Computer Science 2023-11-10 Amir Mohammad Karimi Mamaghan , Andrea Dittadi , Stefan Bauer , Karl Henrik Johansson , Francesco Quinzan