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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

In neural networks, task-relevant information is represented jointly by groups of neurons. However, the specific way in which this mutual information about the classification label is distributed among the individual neurons is not well…

Information Theory · Computer Science 2023-06-08 David A. Ehrlich , Andreas C. Schneider , Viola Priesemann , Michael Wibral , Abdullah Makkeh

The conventional approach to the general Partial Information Decomposition (PID) problem has been redundancy-based: specifying a measure of redundant information between collections of source variables induces a PID via Moebius-Inversion…

Information Theory · Computer Science 2023-10-26 Aaron J. Gutknecht , Abdullah Makkeh , Michael Wibral

The framework of Partial Information Decomposition (PID) unveils complex nonlinear interactions in network systems by dissecting the mutual information (MI) between a target variable and several source variables. While PID measures have…

Data Analysis, Statistics and Probability · Physics 2024-09-23 Chiara Barà , Yuri Antonacci , Marta Iovino , Ivan Lazic , Luca Faes

Invariant graph representation learning aims to learn the invariance among data from different environments for out-of-distribution generalization on graphs. As the graph environment partitions are usually expensive to obtain, augmenting…

Machine Learning · Computer Science 2023-10-31 Yongqiang Chen , Yatao Bian , Kaiwen Zhou , Binghui Xie , Bo Han , James Cheng

Invariant learning demonstrates substantial potential for enhancing the generalization of graph neural networks (GNNs) with out-of-distribution (OOD) data. It aims to recognize stable features in graph data for classification, based on the…

Machine Learning · Computer Science 2025-01-23 Yongduo Sui , Jie Sun , Shuyao Wang , Zemin Liu , Qing Cui , Longfei Li , Xiang Wang

The partial information decomposition (PID) is perhaps the leading proposal for resolving information shared between a set of sources and a target into redundant, synergistic, and unique constituents. Unfortunately, the PID framework has…

Statistical Mechanics · Physics 2018-10-30 Ryan G. James , Jeffrey Emenheiser , James P. Crutchfield

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

The open-world test dataset is often mixed with out-of-distribution (OOD) samples, where the deployed models will struggle to make accurate predictions. Traditional detection methods need to trade off OOD detection and in-distribution (ID)…

Machine Learning · Computer Science 2024-04-25 Xu Shen , Yili Wang , Kaixiong Zhou , Shirui Pan , Xin Wang

Out-of-distribution (OOD) generalization has gained increasing attentions for learning on graphs, as graph neural networks (GNNs) often exhibit performance degradation with distribution shifts. The challenge is that distribution shifts on…

Machine Learning · Computer Science 2024-08-19 Qitian Wu , Fan Nie , Chenxiao Yang , Tianyi Bao , Junchi Yan

The problem of how to properly quantify redundant information is an open question that has been the subject of much recent research. Redundant information refers to information about a target variable S that is common to two or more…

Information Theory · Computer Science 2017-07-14 Robin A. A. Ince

Knowledge distillation deploys complex machine learning models in resource-constrained environments by training a smaller student model to emulate internal representations of a complex teacher model. However, the teacher's representations…

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

The richness in the content of various information networks such as social networks and communication networks provides the unprecedented potential for learning high-quality expressive representations without external supervision. This…

Machine Learning · Computer Science 2020-02-06 Zhen Peng , Wenbing Huang , Minnan Luo , Qinghua Zheng , Yu Rong , Tingyang Xu , Junzhou Huang

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

To deal with distribution shifts in graph data, various graph out-of-distribution (OOD) generalization techniques have been recently proposed. These methods often employ a two-step strategy that first creates augmented environments and…

Machine Learning · Computer Science 2025-01-09 Song Wang , Xiaodong Yang , Rashidul Islam , Huiyuan Chen , Minghua Xu , Jundong Li , Yiwei Cai

Bivariate partial information decompositions (PIDs) characterize how the information in a "message" random variable is decomposed between two "constituent" random variables in terms of unique, redundant and synergistic information…

Information Theory · Computer Science 2023-07-21 Praveen Venkatesh , Gabriel Schamberg

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

Graph Neural Network pretraining is pivotal for leveraging unlabeled graph data. However, generalizing across heterogeneous domains remains a major challenge due to severe distribution shifts. Existing methods primarily focus on…

Machine Learning · Computer Science 2026-04-14 Yang Yan , Qiuyan Wang , Tianjin Huang , Qiudong Yu , Kexin Zhang

In a system of three stochastic variables, the Partial Information Decomposition (PID) of Williams and Beer dissects the information that two variables (sources) carry about a third variable (target) into nonnegative information atoms that…

Information Theory · Computer Science 2017-08-30 Giuseppe Pica , Eugenio Piasini , Daniel Chicharro , Stefano Panzeri