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We present diffusion-convolutional neural networks (DCNNs), a new model for graph-structured data. Through the introduction of a diffusion-convolution operation, we show how diffusion-based representations can be learned from…

Machine Learning · Computer Science 2016-07-11 James Atwood , Don Towsley

Recent research has made significant progress in optimizing diffusion models for downstream objectives, which is an important pursuit in fields such as graph generation for drug design. However, directly applying these models to graph…

Machine Learning · Computer Science 2024-10-28 Yijing Liu , Chao Du , Tianyu Pang , Chongxuan Li , Min Lin , Wei Chen

Full-batch training on Graph Neural Networks (GNN) to learn the structure of large graphs is a critical problem that needs to scale to hundreds of compute nodes to be feasible. It is challenging due to large memory capacity and bandwidth…

Graph neural networks (GNNs) are widely applied in graph data modeling. However, existing GNNs are often trained in a task-driven manner that fails to fully capture the intrinsic nature of the graph structure, resulting in sub-optimal node…

Machine Learning · Computer Science 2024-07-17 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

We present GraphMix, a regularization method for Graph Neural Network based semi-supervised object classification, whereby we propose to train a fully-connected network jointly with the graph neural network via parameter sharing and…

Machine Learning · Computer Science 2020-10-12 Vikas Verma , Meng Qu , Kenji Kawaguchi , Alex Lamb , Yoshua Bengio , Juho Kannala , Jian Tang

Real-world graph data environments intrinsically exist noise (e.g., link and structure errors) that inevitably disturb the effectiveness of graph representation and downstream learning tasks. For homogeneous graphs, the latest works use…

Machine Learning · Computer Science 2024-12-25 Xiong Zhang , Cheng Xie , Haoran Duan , Beibei Yu

Graphs play an important role in many applications. Recently, Graph Neural Networks (GNNs) have achieved promising results in graph analysis tasks. Some state-of-the-art GNN models have been proposed, e.g., Graph Convolutional Networks…

Machine Learning · Computer Science 2021-09-29 Yaoman Li , Irwin King

Graph neural networks, a powerful deep learning tool to model graph-structured data, have demonstrated remarkable performance on numerous graph learning tasks. To address the data noise and data scarcity issues in deep graph learning, the…

Machine Learning · Computer Science 2022-11-22 Kaize Ding , Zhe Xu , Hanghang Tong , Huan Liu

Reinforcement learning fine-tuning has proven effective for steering generative diffusion models toward desired properties in image and molecular domains. Graph diffusion models have similarly been applied to combinatorial structure…

Machine Learning · Computer Science 2026-04-01 Aleksei Liuliakov , Luca Hermes , Barbara Hammer

We present a new method to regularize graph neural networks (GNNs) for better generalization in graph classification. Observing that the omission of sub-structures does not necessarily change the class label of the whole graph, we develop…

Social and Information Networks · Computer Science 2020-09-23 Yiwei Wang , Wei Wang , Yuxuan Liang , Yujun Cai , Bryan Hooi

Continuous-Time Dynamic Graph (CTDG) precisely models evolving real-world relationships, drawing heightened interest in dynamic graph learning across academia and industry. However, existing CTDG models encounter challenges stemming from…

Machine Learning · Computer Science 2024-07-23 Yuxing Tian , Yiyan Qi , Aiwen Jiang , Qi Huang , Jian Guo

A large number of real-world networks include multiple types of nodes and edges. Graph Neural Network (GNN) emerged as a deep learning framework to generate node and graph embeddings for downstream machine learning tasks. However, popular…

Machine Learning · Computer Science 2024-11-26 Ziynet Nesibe Kesimoglu , Serdar Bozdag

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

In recent years, graph neural networks (GNNs) have achieved state-of-the-art performance for node classification. However, most existing GNNs would suffer from the graph imbalance problem. In many real-world scenarios, node classes are…

Machine Learning · Computer Science 2022-06-14 Tianxiang Zhao , Xiang Zhang , Suhang Wang

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

The distributionally robust optimization (DRO)-based graph neural network methods improve recommendation systems' out-of-distribution (OOD) generalization by optimizing the model's worst-case performance. However, these studies fail to…

Machine Learning · Computer Science 2025-01-28 Chu Zhao , Enneng Yang , Yuliang Liang , Jianzhe Zhao , Guibing Guo , Xingwei Wang

Graph Convolutional Networks (GCN) is a pioneering model for graph-based semi-supervised learning. However, GCN does not perform well on sparsely-labeled graphs. Its two-layer version cannot effectively propagate the label information to…

Machine Learning · Computer Science 2025-02-24 Wei Ye , Zexi Huang , Yunqi Hong , Ambuj Singh

Advanced graph neural networks have shown great potentials in graph classification tasks recently. Different from node classification where node embeddings aggregated from local neighbors can be directly used to learn node labels, graph…

Machine Learning · Computer Science 2022-03-16 Hao Jia , Junzhong Ji , Minglong Lei

In this work, we aim to classify nodes of unstructured peer-to-peer networks with communication uncertainty, such as users of decentralized social networks. Graph Neural Networks (GNNs) are known to improve the accuracy of simple…

Machine Learning · Computer Science 2022-03-17 Emmanouil Krasanakis , Symeon Papadopoulos , Ioannis Kompatsiaris