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Graph representation learning based on graph neural networks (GNNs) can greatly improve the performance of downstream tasks, such as node and graph classification. However, the general GNN models do not aggregate node information in a…

Machine Learning · Computer Science 2020-07-30 Fei Ding , Xiaohong Zhang , Justin Sybrandt , Ilya Safro

In this work, we generalize the ideas of Kaiming initialization to Graph Neural Networks (GNNs) and propose a new scheme (G-Init) that reduces oversmoothing, leading to very good results in node and graph classification tasks. GNNs are…

Machine Learning · Computer Science 2024-11-01 Dimitrios Kelesis , Dimitris Fotakis , Georgios Paliouras

Graph neural networks (GNNs) integrate deep architectures and topological structure modeling in an effective way. However, the performance of existing GNNs would decrease significantly when they stack many layers, because of the…

Machine Learning · Computer Science 2021-07-07 Kaixiong Zhou , Xiao Huang , Daochen Zha , Rui Chen , Li Li , Soo-Hyun Choi , Xia Hu

\emph{Over-fitting} and \emph{over-smoothing} are two main obstacles of developing deep Graph Convolutional Networks (GCNs) for node classification. In particular, over-fitting weakens the generalization ability on small dataset, while…

Machine Learning · Computer Science 2020-03-13 Yu Rong , Wenbing Huang , Tingyang Xu , Junzhou Huang

This paper looks at the task of network topology inference, where the goal is to learn an unknown graph from nodal observations. One of the novelties of the approach put forth is the consideration of prior information about the density of…

Signal Processing · Electrical Eng. & Systems 2022-07-12 Samuel Rey , T. Mitchell Roddenberry , Santiago Segarra , Antonio G. Marques

Implicit bias induced by gradient-based algorithms is essential to the generalization of overparameterized models, yet its mechanisms can be subtle. This work leverages the Normalized Steepest Descent} (NSD) framework to investigate how…

Machine Learning · Computer Science 2026-03-25 Shengping Xie , Zekun Wu , Quan Chen , Kaixu Tang

Predicting the evolution of spatiotemporal physical systems from sparse and scattered observational data poses a significant challenge in various scientific domains. Traditional methods rely on dense grid-structured data, limiting their…

Machine Learning · Computer Science 2024-03-29 Andrzej Dulny , Paul Heinisch , Andreas Hotho , Anna Krause

This work examines the problem of graph learning over a diffusion network when data can be collected from a limited portion of the network (partial observability). The main question is to establish technical guarantees of consistent…

Statistics Theory · Mathematics 2020-06-08 Vincenzo Matta , Augusto Santos , Ali H. Sayed

Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers…

Machine Learning · Computer Science 2026-05-22 Clement Wang , Antoine Vialle , Robin Vaysse , Thomas Bonald

We introduce the first neural optimization framework to solve a classical instance of the tiling problem. Namely, we seek a non-periodic tiling of an arbitrary 2D shape using one or more types of tiles: the tiles maximally fill the shape's…

Computer Vision and Pattern Recognition · Computer Science 2020-07-08 Hao Xu , Ka Hei Hui , Chi-Wing Fu , Hao Zhang

Graph embedding techniques are pivotal in real-world machine learning tasks that operate on graph-structured data, such as social recommendation and protein structure modeling. Embeddings are mostly performed on the node level for learning…

Machine Learning · Computer Science 2022-04-26 Nan Wang , Lu Lin , Jundong Li , Hongning Wang

Diffusion models achieve state-of-the-art performance in generating realistic objects and have been successfully applied to images, text, and videos. Recent work has shown that diffusion can also be defined on graphs, including graph…

Machine Learning · Computer Science 2023-02-09 Alex M. Tseng , Nathaniel Diamant , Tommaso Biancalani , Gabriele Scalia

Unsupervised node representation learning aims to obtain meaningful node embeddings without relying on node labels. To achieve this, graph convolution, which aggregates information from neighboring nodes, is commonly employed to encode node…

Machine Learning · Computer Science 2025-12-18 Sunwoo Kim , Soo Yong Lee , Kyungho Kim , Hyunjin Hwang , Jaemin Yoo , Kijung Shin

Many existing transductive bounds rely on classical complexity measures that are computationally intractable and often misaligned with empirical behavior. In this work, we establish new representation-based generalization bounds in a…

Machine Learning · Computer Science 2026-03-11 MoonJeong Park , Seungbeom Lee , Kyungmin Kim , Jaeseung Heo , Seunghyuk Cho , Shouheng Li , Sangdon Park , Dongwoo Kim

Existing Graph Neural Network (GNN) methods that learn inductive unsupervised graph representations focus on learning node and edge representations by predicting observed edges in the graph. Although such approaches have shown advances in…

Machine Learning · Computer Science 2020-10-12 Leonardo Cotta , Carlos H. C. Teixeira , Ananthram Swami , Bruno Ribeiro

Graph neural networks (GNNs) are commonly used in semi-supervised settings. Previous research has primarily focused on finding appropriate graph filters (e.g. aggregation methods) to perform well on both homophilic and heterophilic graphs.…

Machine Learning · Computer Science 2025-01-17 Yoonhyuk Choi , Jiho Choi , Taewook Ko , Chong-Kwon Kim

We consider a ubiquitous scenario in the study of Influence Maximization (IM), in which there is limited knowledge about the topology of the diffusion network. We set the IM problem in a multi-round diffusion campaign, aiming to maximize…

Machine Learning · Computer Science 2024-06-19 Yuting Feng , Vincent Y. F. Tan , Bogdan Cautis

Despite the enormous success of graph neural networks (GNNs), most existing GNNs can only be applicable to undirected graphs where relationships among connected nodes are two-way symmetric (i.e., information can be passed back and forth).…

Machine Learning · Computer Science 2021-10-15 Zhuo Tan , Bin Liu , Guosheng Yin

Graph Neural Networks (GNNs) set the state-of-the-art in representation learning for graph-structured data. They are used in many domains, from online social networks to complex molecules. Most GNNs leverage the message-passing paradigm and…

Machine Learning · Computer Science 2025-03-06 Tuğrul Hasan Karabulut , İnci M. Baytaş

Graph generation has emerged as a crucial task in machine learning, with significant challenges in generating graphs that accurately reflect specific properties. Existing methods often fall short in efficiently addressing this need as they…

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