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We propose a graph spectrum-based Gaussian process for prediction of signals defined on nodes of the graph. The model is designed to capture various graph signal structures through a highly adaptive kernel that incorporates a flexible…

Machine Learning · Computer Science 2020-10-29 Yin-Cong Zhi , Yin Cheng Ng , Xiaowen Dong

The opaque reasoning of Graph Neural Networks induces a lack of human trust. Existing graph network explainers attempt to address this issue by providing post-hoc explanations, however, they fail to make the model itself more interpretable.…

Graph generation techniques are increasingly being adopted for drug discovery. Previous graph generation approaches have utilized relatively small molecular building blocks such as atoms or simple cycles, limiting their effectiveness to…

Machine Learning · Computer Science 2020-04-21 Wengong Jin , Regina Barzilay , Tommi Jaakkola

One significant challenge of exploiting Graph neural networks (GNNs) in real-life scenarios is that they are always treated as black boxes, therefore leading to the requirement of interpretability. To address this, model-level…

Machine Learning · Computer Science 2025-09-22 Xiao Yue , Guangzhi Qu , Lige Gan

We present RL-VAE, a graph-to-graph variational autoencoder that uses reinforcement learning to decode molecular graphs from latent embeddings. Methods have been described previously for graph-to-graph autoencoding, but these approaches…

Machine Learning · Computer Science 2019-06-06 Steven Kearnes , Li Li , Patrick Riley

Graph neural networks (GNNs) have emerged as a powerful framework for a wide range of node-level graph learning tasks. However, their performance typically depends on random or minimally informed initial feature representations, where poor…

Machine Learning · Computer Science 2026-02-24 Shiyu Chen , Cencheng Shen , Youngser Park , Carey E. Priebe

We present a learned image compression system based on GANs, operating at extremely low bitrates. Our proposed framework combines an encoder, decoder/generator and a multi-scale discriminator, which we train jointly for a generative learned…

Computer Vision and Pattern Recognition · Computer Science 2019-08-20 Eirikur Agustsson , Michael Tschannen , Fabian Mentzer , Radu Timofte , Luc Van Gool

The representation learning on textual graph is to generate low-dimensional embeddings for the nodes based on the individual textual features and the neighbourhood information. Recent breakthroughs on pretrained language models and graph…

Computation and Language · Computer Science 2023-10-10 Junhan Yang , Zheng Liu , Shitao Xiao , Chaozhuo Li , Defu Lian , Sanjay Agrawal , Amit Singh , Guangzhong Sun , Xing Xie

Many systems comprising entities in interactions can be represented as graphs, whose structure gives significant insights about how these systems work. Network theory has undergone further developments, in particular in relation to…

Data Analysis, Statistics and Probability · Physics 2016-06-14 Ronan Hamon , Pierre Borgnat , Patrick Flandrin , Céline Robardet

Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the success is limited to small-scale graphs due to the drawbacks of…

Machine Learning · Computer Science 2022-10-05 Jinyoung Park , Seongjun Yun , Hyeonjin Park , Jaewoo Kang , Jisu Jeong , Kyung-Min Kim , Jung-woo Ha , Hyunwoo J. Kim

With the rapid growth of graph-structured data in critical domains, unsupervised graph-level anomaly detection (UGAD) has become a pivotal task. UGAD seeks to identify entire graphs that deviate from normal behavioral patterns. However,…

Machine Learning · Computer Science 2025-11-07 Qingfeng Chen , Haojin Zeng , Jingyi Jie , Shichao Zhang , Debo Cheng

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

Artificial Intelligence · Computer Science 2026-05-05 Nidhi Vakil , Hadi Amiri

Generative adversarial networks (GANs) are capable of producing high quality image samples. However, unlike variational autoencoders (VAEs), GANs lack encoders that provide the inverse mapping for the generators, i.e., encode images back to…

Machine Learning · Statistics 2018-12-20 Paul K. Rubenstein , Yunpeng Li , Dominik Roblek

Graph representation learning has many real-world applications, from super-resolution imaging, 3D computer vision to drug repurposing, protein classification, social networks analysis. An adequate representation of graph data is vital to…

Machine Learning · Computer Science 2021-12-17 Xuebin Zheng , Bingxin Zhou , Yu Guang Wang , Xiaosheng Zhuang

Graph convolutional networks (GCNs) have shown promising results in processing graph data by extracting structure-aware features. This gave rise to extensive work in geometric deep learning, focusing on designing network architectures that…

Machine Learning · Computer Science 2022-01-20 Yimeng Min , Frederik Wenkel , Guy Wolf

Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the…

Machine Learning · Computer Science 2022-10-06 Xiaojie Guo , Liang Zhao

Graph generative models become increasingly effective for data distribution approximation and data augmentation. While they have aroused public concerns about their malicious misuses or misinformation broadcasts, just as what Deepfake…

Cryptography and Security · Computer Science 2023-06-14 Yihan Ma , Zhikun Zhang , Ning Yu , Xinlei He , Michael Backes , Yun Shen , Yang Zhang

Recent work on graph generative models has made remarkable progress towards generating increasingly realistic graphs, as measured by global graph features such as degree distribution, density, and clustering coefficients. Deep generative…

Machine Learning · Computer Science 2021-06-30 Kiarash Zahirnia , Ankita Sakhuja , Oliver Schulte , Parmis Nadaf , Ke Li , Xia Hu

Graph neural network (GNN) is an efficient neural network model for graph data and is widely used in different fields, including wireless communications. Different from other neural network models, GNN can be implemented in a decentralized…

Information Theory · Computer Science 2021-11-16 Mengyuan Lee , Guanding Yu , Huaiyu Dai