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Generative Adversarial Networks (GANs) have demonstrated unprecedented success in various image generation tasks. The encouraging results, however, come at the price of a cumbersome training process, during which the generator and…

Computer Vision and Pattern Recognition · Computer Science 2021-06-17 Chengchao Shen , Youtan Yin , Xinchao Wang , Xubin Li , Jie Song , Mingli Song

The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured…

Machine Learning · Computer Science 2022-06-10 Zepeng Zhang , Ziping Zhao

Graphs are ubiquitous in encoding relational information of real-world objects in many domains. Graph generation, whose purpose is to generate new graphs from a distribution similar to the observed graphs, has received increasing attention…

Machine Learning · Computer Science 2022-12-08 Yanqiao Zhu , Yuanqi Du , Yinkai Wang , Yichen Xu , Jieyu Zhang , Qiang Liu , Shu Wu

We propose a deep Graph Neural Network (GNN) model that alternates two types of layers. The first type is inspired by Reservoir Computing (RC) and generates new vertex features by iterating a non-linear map until it converges to a fixed…

Machine Learning · Computer Science 2021-04-13 Filippo Maria Bianchi , Claudio Gallicchio , Alessio Micheli

We investigate how generative adversarial nets (GANs) can help semi-supervised learning on graphs. We first provide insights on working principles of adversarial learning over graphs and then present GraphSGAN, a novel approach to…

Social and Information Networks · Computer Science 2018-09-05 Ming Ding , Jie Tang , Jie Zhang

With the recent progress in Generative Adversarial Networks (GANs), it is imperative for media and visual forensics to develop detectors which can identify and attribute images to the model generating them. Existing works have shown to…

Computer Vision and Pattern Recognition · Computer Science 2021-09-22 Sharath Girish , Saksham Suri , Saketh Rambhatla , Abhinav Shrivastava

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize…

Machine Learning · Computer Science 2025-06-04 Xiaohui Chen , Yinkai Wang , Jiaxing He , Yuanqi Du , Soha Hassoun , Xiaolin Xu , Li-Ping Liu

We propose a hierarchical normalizing flow model for generating molecular graphs. The model produces new molecular structures from a single-node graph by recursively splitting every node into two. All operations are invertible and can be…

Chemical Physics · Physics 2021-06-11 Maksim Kuznetsov , Daniil Polykovskiy

Meta-learning extracts common knowledge from learning different tasks and uses it for unseen tasks. It can significantly improve tasks that suffer from insufficient training data, e.g., few shot learning. In most meta-learning methods,…

Machine Learning · Computer Science 2019-11-06 Lu Liu , Tianyi Zhou , Guodong Long , Jing Jiang , Chengqi Zhang

Recently, Graph Neural Networks (GNNs) have greatly advanced the task of graph classification. Typically, we first build a unified GNN model with graphs in a given training set and then use this unified model to predict labels of all the…

Machine Learning · Computer Science 2021-12-15 Yiqi Wang , Yao Ma , Wei Jin , Chaozhuo Li , Charu Aggarwal , Jiliang Tang

Graph convolutional neural networks (GCNNs) are a powerful extension of deep learning techniques to graph-structured data problems. We empirically evaluate several pooling methods for GCNNs, and combinations of those graph pooling methods…

Signal Processing · Electrical Eng. & Systems 2020-04-08 Mark Cheung , John Shi , Lavender Yao Jiang , Oren Wright , José M. F. Moura

Generative network models play an important role in algorithm development, scaling studies, network analysis, and realistic system benchmarks for graph data sets. The commonly used graph-based benchmark model R-MAT has some drawbacks…

Data Structures and Algorithms · Computer Science 2016-07-01 Moritz von Looz , Mustafa Özdayi , Sören Laue , Henning Meyerhenke

Layers have become indispensable tools for professional artists, allowing them to build a hierarchical structure that enables independent control over individual visual elements. In this paper, we propose LayeringDiff, a novel pipeline for…

Computer Vision and Pattern Recognition · Computer Science 2025-01-03 Kyoungkook Kang , Gyujin Sim , Geonung Kim , Donguk Kim , Seungho Nam , Sunghyun Cho

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph Convolutional Networks (GCNs) have become a crucial tool on learning representations of graph vertices. The main challenge of adapting GCNs on large-scale graphs is the scalability issue that it incurs heavy cost both in computation…

Computer Vision and Pattern Recognition · Computer Science 2018-11-20 Wenbing Huang , Tong Zhang , Yu Rong , Junzhou Huang

Generative adversarial networks (GANs) are well known for their unsupervised learning capabilities. A recent success in the field of astronomy is deblending two overlapping galaxy images via a branched GAN model. However, it remains a…

Computer Vision and Pattern Recognition · Computer Science 2020-01-20 Heyi Li , Yuewei Lin , Klaus Mueller , Wei Xu

Graph generative modelling has become an essential task due to the wide range of applications in chemistry, biology, social networks, and knowledge representation. In this work, we propose a novel framework for generating graphs by adapting…

Machine Learning · Statistics 2026-02-04 Anthony Stephenson , Ian Gallagher , Christopher Nemeth

Designing molecular structures with desired chemical properties is an essential task in drug discovery and material design. However, finding molecules with the optimized desired properties is still a challenging task due to combinatorial…

Biomolecules · Quantitative Biology 2023-02-02 Masatsugu Yamada , Mahito Sugiyama

Recently the Transformer structure has shown good performances in graph learning tasks. However, these Transformer models directly work on graph nodes and may have difficulties learning high-level information. Inspired by the vision…

Machine Learning · Computer Science 2023-04-11 Han Gao , Xu Han , Jiaoyang Huang , Jian-Xun Wang , Li-Ping Liu

We study how to generate molecule conformations (i.e., 3D structures) from a molecular graph. Traditional methods, such as molecular dynamics, sample conformations via computationally expensive simulations. Recently, machine learning…

Machine Learning · Computer Science 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang