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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…

机器学习 · 计算机科学 2022-11-09 Yixin Liu , Kaize Ding , Huan Liu , Shirui Pan

Graph Neural Network (GNN) has demonstrated extraordinary performance in classifying graph properties. However, due to the selection bias of training and testing data (e.g., training on small graphs and testing on large graphs, or training…

机器学习 · 计算机科学 2023-08-17 Bin Lu , Xiaoying Gan , Ze Zhao , Shiyu Liang , Luoyi Fu , Xinbing Wang , Chenghu Zhou

Gradient-based meta-learning (GBML) algorithms are able to fast adapt to new tasks by transferring the learned meta-knowledge, while assuming that all tasks come from the same distribution (in-distribution, ID). However, in the real world,…

计算机视觉与模式识别 · 计算机科学 2023-03-14 Min Zhang , Zifeng Zhuang , Zhitao Wang , Donglin Wang , Wenbin Li

With the progressive advancements in deep graph learning, out-of-distribution (OOD) detection for graph data has emerged as a critical challenge. While the efficacy of auxiliary datasets in enhancing OOD detection has been extensively…

机器学习 · 计算机科学 2024-08-01 Junwei He , Qianqian Xu , Yangbangyan Jiang , Zitai Wang , Yuchen Sun , Qingming Huang

Out-of-Distribution (OOD) Generalization aims to learn robust models that generalize well to various environments without fitting to distribution-specific features. Recent studies based on Lottery Ticket Hypothesis (LTH) address this…

机器学习 · 计算机科学 2023-10-26 Zhuo Huang , Muyang Li , Li Shen , Jun Yu , Chen Gong , Bo Han , Tongliang Liu

Learning invariant (causal) features for out-of-distribution (OOD) generalization has attracted extensive attention recently, and among the proposals invariant risk minimization (IRM) is a notable solution. In spite of its theoretical…

机器学习 · 计算机科学 2023-02-01 Bin Deng , Kui Jia

Deep learning on graphs has shown remarkable success across numerous applications, including social networks, bio-physics, traffic networks, and recommendation systems. Regardless of their successes, current methods frequently depend on the…

机器学习 · 计算机科学 2025-09-25 Itay Niv , Neta Rabin

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…

机器学习 · 计算机科学 2025-05-13 Limin Li , Kuo Yang , Wenjie Du , Pengkun Wang , Zhengyang Zhou , Yang Wang

Graph Neural Networks (GNNs) show promising results for graph tasks. However, existing GNNs' generalization ability will degrade when there exist distribution shifts between testing and training graph data. The cardinal impetus underlying…

机器学习 · 计算机科学 2023-12-21 Zhengyu Chen , Teng Xiao , Kun Kuang , Zheqi Lv , Min Zhang , Jinluan Yang , Chengqiang Lu , Hongxia Yang , Fei Wu

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

机器学习 · 计算机科学 2024-02-15 Xuexin Chen , Ruichu Cai , Kaitao Zheng , Zhifan Jiang , Zhengting Huang , Zhifeng Hao , Zijian Li

In the context of modern machine learning, models deployed in real-world scenarios often encounter diverse data shifts like covariate and semantic shifts, leading to challenges in both out-of-distribution (OOD) generalization and detection.…

机器学习 · 计算机科学 2024-09-30 Han Wang , Yixuan Li

We present a theory for the construction of out-of-distribution (OOD) detection features for neural networks. We introduce random features for OOD through a novel information-theoretic loss functional consisting of two terms, the first…

机器学习 · 计算机科学 2025-06-18 Sudeepta Mondal , Zhuolin Jiang , Ganesh Sundaramoorthi

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…

机器学习 · 计算机科学 2026-04-14 Yang Yan , Qiuyan Wang , Tianjin Huang , Qiudong Yu , Kexin Zhang

Graph-based social recommendation systems have shown significant promise in enhancing recommendation performance, particularly in addressing the issue of data sparsity in user behaviors. Typically, these systems leverage Graph Neural…

信息检索 · 计算机科学 2025-04-29 Yonghui Yang , Le Wu , Yuxin Liao , Zhuangzhuang He , Pengyang Shao , Richang Hong , Meng Wang

Graph Transformers (GTs) have demonstrated great effectiveness across various graph analytical tasks. However, the existing GTs focus on training and testing graph data originated from the same distribution, but fail to generalize under…

机器学习 · 计算机科学 2026-03-16 Tianyin Liao , Ziwei Zhang , Yufei Sun , Chunyu Hu , Jianxin Li

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes…

机器学习 · 计算机科学 2025-07-02 Yujia Yin , Tianyi Qu , Zihao Wang , Yifan Chen

Heterogeneous graph few-shot learning (HGFL) has been developed to address the label sparsity issue in heterogeneous graphs (HGs), which consist of various types of nodes and edges. The core concept of HGFL is to extract knowledge from…

机器学习 · 计算机科学 2024-04-17 Pengfei Ding , Yan Wang , Guanfeng Liu , Nan Wang , Xiaofang Zhou

Recently, there has been a surge of interest in developing graph neural networks that utilize the invariance principle on graphs to generalize the out-of-distribution (OOD) data. Due to the limited knowledge about OOD data, existing…

机器学习 · 计算机科学 2024-07-17 Tianjun Yao , Yongqiang Chen , Zhenhao Chen , Kai Hu , Zhiqiang Shen , Kun Zhang

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…

机器学习 · 计算机科学 2024-07-19 Zhihao Ding , Jieming Shi , Shiqi Shen , Xuequn Shang , Jiannong Cao , Zhipeng Wang , Zhi Gong

Various graph contrastive learning models have been proposed to improve the performance of learning tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular,…

机器学习 · 计算机科学 2021-11-01 Dongkuan Xu , Wei Cheng , Dongsheng Luo , Haifeng Chen , Xiang Zhang