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Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful…

Machine Learning · Computer Science 2021-09-27 Shuangli Li , Jingbo Zhou , Tong Xu , Dejing Dou , Hui Xiong

Federated Learning (FL) has emerged as an effective learning paradigm for distributed computation owing to its strong potential in capturing underlying data statistics while preserving data privacy. However, in cases of practical data…

Machine Learning · Computer Science 2023-05-22 Achintha Wijesinghe , Songyang Zhang , Zhi Ding

De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and it has a low probability of success. Recent advances in…

A generative adversarial network (GAN) has been a representative backbone model in generative artificial intelligence (AI) because of its powerful performance in capturing intricate data-generating processes. However, the GAN training is…

Machine Learning · Statistics 2025-08-21 Jinwon Sohn , Qifan Song

Generative adversarial networks (GANs) have shown great success in applications such as image generation and inpainting. However, they typically require large datasets, which are often not available, especially in the context of prediction…

Machine Learning · Computer Science 2020-01-31 Daniel Stoller , Sebastian Ewert , Simon Dixon

Disentangled Graph Convolutional Network (DisenGCN) is an encouraging framework to disentangle the latent factors arising in a real-world graph. However, it relies on disentangling information heavily from a local range (i.e., a node and…

Machine Learning · Computer Science 2023-12-15 Jingwei Guo , Kaizhu Huang , Xinping Yi , Rui Zhang

Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…

Computer Vision and Pattern Recognition · Computer Science 2022-10-06 Yang Yi , Xuequan Lu , Shang Gao , Antonio Robles-Kelly , Yuejie Zhang

Generative adversarial network (GAN) is widely used for generalized and robust learning on graph data. However, for non-Euclidean graph data, the existing GAN-based graph representation methods generate negative samples by random walk or…

Machine Learning · Computer Science 2022-03-04 Jianxin Li , Xingcheng Fu , Qingyun Sun , Cheng Ji , Jiajun Tan , Jia Wu , Hao Peng

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Federated graph learning is a widely recognized technique that promotes collaborative training of graph neural networks (GNNs) by multi-client graphs.However, existing approaches heavily rely on the communication of model parameters or…

Machine Learning · Computer Science 2025-05-06 Hao Zhang , Xunkai Li , Yinlin Zhu , Lianglin Hu

We propose Federated Generative Adversarial Network (FedGAN) for training a GAN across distributed sources of non-independent-and-identically-distributed data sources subject to communication and privacy constraints. Our algorithm uses…

Machine Learning · Computer Science 2020-06-16 Mohammad Rasouli , Tao Sun , Ram Rajagopal

In recent years, Graph Convolutional Networks (GCNs) have achieved great success in learning from graph-structured data. With the growing tendency of graph nodes and edges, GCN training by single processor cannot meet the demand for time…

Machine Learning · Computer Science 2021-10-08 Taige Zhao , Xiangyu Song , Jianxin Li , Wei Luo , Imran Razzak

Generative Adversarial Networks (GANs) have made great progress in synthesizing realistic images in recent years. However, they are often trained on image datasets with either too few samples or too many classes belonging to different data…

Machine Learning · Computer Science 2020-10-16 Shichang Tang

Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…

Machine Learning · Computer Science 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Graph anomaly detection (GAD) aims to identify anomalous graphs that significantly deviate from other ones, which has raised growing attention due to the broad existence and complexity of graph-structured data in many real-world scenarios.…

Machine Learning · Computer Science 2024-02-21 Jinyu Cai , Yunhe Zhang , Zhoumin Lu , Wenzhong Guo , See-kiong Ng

Multi-view data containing complementary and consensus information can facilitate representation learning by exploiting the intact integration of multi-view features. Because most objects in real world often have underlying connections,…

Machine Learning · Computer Science 2023-08-15 Zhaoliang Chen , Lele Fu , Shunxin Xiao , Shiping Wang , Claudia Plant , Wenzhong Guo

Combining Generative Adversarial Networks (GANs) with encoders that learn to encode data points has shown promising results in learning data representations in an unsupervised way. We propose a framework that combines an encoder and a…

Computer Vision and Pattern Recognition · Computer Science 2018-03-08 Tobias Hinz , Stefan Wermter

Federated graph learning collaboratively learns a global graph neural network with distributed graphs, where the non-independent and identically distributed property is one of the major challenges. Most relative arts focus on traditional…

Machine Learning · Computer Science 2024-07-02 Wenke Huang , Guancheng Wan , Mang Ye , Bo Du

Graph convolutional networks (GCNs) enable end-to-end learning on graph structured data. However, many works assume a given graph structure. When the input graph is noisy or unavailable, one approach is to construct or learn a latent graph…

Computer Vision and Pattern Recognition · Computer Science 2023-07-19 Avishkar Saha , Oscar Mendez , Chris Russell , Richard Bowden