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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

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

We study adversarial learning when the target distribution factorizes according to a known Bayesian network. For interpolative divergences, including $(f,\Gamma)$-divergences, we prove a new infimal subadditivity principle showing that,…

Machine Learning · Statistics 2026-04-03 Panagiota Birmpa , Eric Joseph Hall

Unsupervised learning methods based on contrastive learning have drawn increasing attention and achieved promising results. Most of them aim to learn representations invariant to instance-level variations, which are provided by different…

Computer Vision and Pattern Recognition · Computer Science 2020-11-04 Feng Wang , Huaping Liu , Di Guo , Fuchun Sun

Due to the over-smoothing issue, most existing graph neural networks can only capture limited dependencies with their inherently finite aggregation layers. To overcome this limitation, we propose a new kind of graph convolution, called…

Machine Learning · Computer Science 2022-06-30 Qi Chen , Yifei Wang , Yisen Wang , Jiansheng Yang , Zhouchen Lin

We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph…

Machine Learning · Computer Science 2019-05-09 Peter Meltzer , Marcelo Daniel Gutierrez Mallea , Peter J. Bentley

Recently, there has been great success in applying deep neural networks on graph structured data. Most work, however, focuses on either node- or graph-level supervised learning, such as node, link or graph classification or node-level…

Machine Learning · Computer Science 2021-12-15 Robin Winter , Frank Noé , Djork-Arné Clevert

As a crucial step toward real-world learning scenarios with changing environments, dataset shift theory and invariant representation learning algorithm have been extensively studied to relax the identical distribution assumption in…

Machine Learning · Computer Science 2024-06-25 You-Wei Luo , Chuan-Xian Ren

Graph anomaly detection in this paper aims to distinguish abnormal nodes that behave differently from the benign ones accounting for the majority of graph-structured instances. Receiving increasing attention from both academia and industry,…

Machine Learning · Computer Science 2022-10-19 Fanzhen Liu , Xiaoxiao Ma , Jia Wu , Jian Yang , Shan Xue , Amin Beheshti , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu C. Aggarwal

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

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Building invariance to non-meaningful transformations is essential to building efficient and generalizable machine learning models. In practice, the most common way to learn invariance is through data augmentation. There has been recent…

Machine Learning · Computer Science 2021-06-09 Scott Mahan , Henry Kvinge , Tim Doster

Heterophilic Graph Neural Networks (HGNNs) have shown promising results for semi-supervised learning tasks on graphs. Notably, most real-world heterophilic graphs are composed of a mixture of nodes with different neighbor patterns,…

Machine Learning · Computer Science 2025-02-26 Jinluan Yang , Zhengyu Chen , Teng Xiao , Wenqiao Zhang , Yong Lin , Kun Kuang

Unsupervised learning allows us to leverage unlabelled data, which has become abundantly available, and to create embeddings that are usable on a variety of downstream tasks. However, the typical lack of interpretability of unsupervised…

Machine Learning · Computer Science 2023-09-29 Gregory Scafarto , Madalina Ciortan , Simon Tihon , Quentin Ferre

Graph-based causal discovery methods aim to capture conditional independencies consistent with the observed data and differentiate causal relationships from indirect or induced ones. Successful construction of graphical models of data…

Machine Learning · Statistics 2021-01-08 Boris Hayete , Fred Gruber , Anna Decker , Raymond Yan

In this paper we study the algebra of graph invariants, focusing mainly on the invariants of simple graphs. All other invariants, such as sorted eigenvalues, degree sequences and canonical permutations, belong to this algebra. In fact,…

Combinatorics · Mathematics 2008-01-30 Tomi Mikkonen , Xavier Buchwalder

The ability of an agent to do well in new environments is a critical aspect of intelligence. In machine learning, this ability is known as $\textit{strong}$ or $\textit{out-of-distribution}$ generalization. However, merely considering…

Machine Learning · Computer Science 2024-02-09 Siyuan Guo , Jonas Wildberger , Bernhard Schölkopf

A data augmentation module is utilized in contrastive learning to transform the given data example into two views, which is considered essential and irreplaceable. However, the predetermined composition of multiple data augmentations brings…

Computer Vision and Pattern Recognition · Computer Science 2022-08-23 Junbo Zhang , Kaisheng Ma

Machine learning algorithms typically assume that training and test examples are drawn from the same distribution. However, distribution shift is a common problem in real-world applications and can cause models to perform dramatically worse…

Machine Learning · Computer Science 2022-06-22 Huaxiu Yao , Yu Wang , Sai Li , Linjun Zhang , Weixin Liang , James Zou , Chelsea Finn

Deep convolutional neural networks trained for image object categorization have shown remarkable similarities with representations found across the primate ventral visual stream. Yet, artificial and biological networks still exhibit…

Computer Vision and Pattern Recognition · Computer Science 2019-06-12 Alex Hernández-García , Peter König , Tim C. Kietzmann