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Accurate modelling and quantification of predictive uncertainty is crucial in deep learning since it allows a model to make safer decisions when the data is ambiguous and facilitates the users' understanding of the model's confidence in its…

Machine Learning · Statistics 2025-08-26 Soumyasundar Pal , Liheng Ma , Amine Natik , Yingxue Zhang , Mark Coates

Graph generation is a fundamental problem in various domains, including chemistry and social networks. Recent work has shown that molecular graph generation using recurrent neural networks (RNNs) is advantageous compared to traditional…

Social and Information Networks · Computer Science 2024-02-07 Edo Cohen-Karlik , Eyal Rozenberg , Daniel Freedman

Deep Neural Networks (DNNs) have demonstrated exceptional recognition capabilities in traditional computer vision (CV) tasks. However, existing CV models often suffer a significant decrease in accuracy when confronted with…

Computer Vision and Pattern Recognition · Computer Science 2024-08-28 Shuangchen Zhao , Changde Du , Hui Li , Huiguang He

As a pivotal component to attaining generalizable solutions in human intelligence, reasoning provides great potential for reinforcement learning (RL) agents' generalization towards varied goals by summarizing part-to-whole arguments and…

Machine Learning · Computer Science 2023-05-18 Wenhao Ding , Haohong Lin , Bo Li , Ding Zhao

It is evidence that representation learning can improve model's performance over multiple downstream tasks in many real-world scenarios, such as image classification and recommender systems. Existing learning approaches rely on establishing…

Machine Learning · Computer Science 2022-02-18 Mengyue Yang , Xinyu Cai , Furui Liu , Xu Chen , Zhitang Chen , Jianye Hao , Jun Wang

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

Theoretical studies on the representation power of GNNs have been centered around understanding the equivalence of GNNs, using WL-Tests for detecting graph isomorphism. In this paper, we argue that such equivalence ignores the accompanying…

Machine Learning · Computer Science 2024-08-26 P. Krishna Kumar a , Harish G. Ramaswamy

We study out-of-distribution (OOD) prediction behavior of neural networks when they classify images from unseen classes or corrupted images. To probe the OOD behavior, we introduce a new measure, nearest category generalization (NCG), where…

Machine Learning · Computer Science 2023-03-09 Yao-Yuan Yang , Cyrus Rashtchian , Ruslan Salakhutdinov , Kamalika Chaudhuri

Fault detection in power distribution grids is critical for ensuring system reliability and preventing costly outages. Moreover, fault detection methodologies should remain robust to evolving grid topologies caused by factors such as…

Machine Learning · Computer Science 2025-10-07 Burak Karabulut , Carlo Manna , Chris Develder

One of the most challenging problems in graph machine learning is generalizing across graphs with diverse properties. Graph neural networks (GNNs) face a fundamental limitation: they require separate training for each new graph, preventing…

Machine Learning · Computer Science 2026-04-22 Jeongwhan Choi , Jongwoo Kim , Woosung Kang , Noseong Park

As a prevalent problem in online advertising, CTR prediction has attracted plentiful attention from both academia and industry. Recent studies have been reported to establish CTR prediction models in the graph neural networks (GNNs)…

Information Retrieval · Computer Science 2023-02-01 Panyu Zhai , Yanwu Yang , Chunjie Zhang

Domain generalization (DG) is essentially an out-of-distribution problem, aiming to generalize the knowledge learned from multiple source domains to an unseen target domain. The mainstream is to leverage statistical models to model the…

Machine Learning · Computer Science 2022-03-29 Fangrui Lv , Jian Liang , Shuang Li , Bin Zang , Chi Harold Liu , Ziteng Wang , Di Liu

Graph neural networks (GNNs) for temporal graphs have recently attracted increasing attentions, where a common assumption is that the class set for nodes is closed. However, in real-world scenarios, it often faces the open set problem with…

Machine Learning · Computer Science 2023-05-26 Kaituo Feng , Changsheng Li , Xiaolu Zhang , Jun Zhou

Graph Contrastive Learning (GCL) has emerged as a powerful paradigm for training Graph Neural Networks (GNNs) in the absence of task-specific labels. However, its scalability on large-scale graphs is hindered by the intensive message…

Machine Learning · Computer Science 2025-11-12 Xiang Chen , Kun Yue , Wenjie Liu , Zhenyu Zhang , Liang Duan

Graph embedding (GE) methods embed nodes (and/or edges) in graph into a low-dimensional semantic space, and have shown its effectiveness in modeling multi-relational data. However, existing GE models are not practical in real-world…

Machine Learning · Computer Science 2020-11-25 Xiaoyu Kou , Yankai Lin , Shaobo Liu , Peng Li , Jie Zhou , Yan Zhang

Node classification on graphs is a significant task with a wide range of applications, including social analysis and anomaly detection. Even though graph neural networks (GNNs) have produced promising results on this task, current…

Machine Learning · Computer Science 2023-06-16 Jingyang Yuan , Xiao Luo , Yifang Qin , Yusheng Zhao , Wei Ju , Ming Zhang

The integration of Graph Neural Networks (GNNs) and Neural Ordinary and Partial Differential Equations has been extensively studied in recent years. GNN architectures powered by neural differential equations allow us to reason about their…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eldad Haber , Eran Treister

Graph neural networks (GNN) has been demonstrated to be effective in classifying graph structures. To further improve the graph representation learning ability, hierarchical GNN has been explored. It leverages the differentiable pooling to…

Social and Information Networks · Computer Science 2019-12-19 Kaixiong Zhou , Qingquan Song , Xiao Huang , Daochen Zha , Na Zou , Xia Hu

Graph Neural Networks (GNNs) extend convolutional neural networks to operate on graphs. Despite their impressive performances in various graph learning tasks, the theoretical understanding of their generalization capability is still…

Machine Learning · Computer Science 2025-06-10 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Intrinsic interpretability of graph neural networks (GNNs) is to find a small subset of the input graph's features -- rationale -- which guides the model prediction. Unfortunately, the leading rationalization models often rely on data…

Machine Learning · Computer Science 2022-02-01 Ying-Xin Wu , Xiang Wang , An Zhang , Xiangnan He , Tat-Seng Chua
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