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Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

机器学习 · 计算机科学 2025-02-05 Xiyuan Wang , Yewei Liu , Lexi Pang , Siwei Chen , Muhan Zhang

Dynamic graphs are rife with higher-order interactions, such as co-authorship relationships and protein-protein interactions in biological networks, that naturally arise between more than two nodes at once. In spite of the ubiquitous…

机器学习 · 计算机科学 2021-02-09 Manohar Kaul , Masaaki Imaizumi

Deep generative models have achieved remarkable success in various data domains, including images, time series, and natural languages. There remain, however, substantial challenges for combinatorial structures, including graphs. One of the…

机器学习 · 计算机科学 2018-09-21 Tengfei Ma , Jie Chen , Cao Xiao

There are a number of existing studies analysing the convergence behaviour of graph neural networks on large random graphs. Unfortunately, the majority of these studies do not model correlations between node features, which would naturally…

机器学习 · 计算机科学 2026-02-19 Mohammed Zain Ali Ahmed

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

机器学习 · 计算机科学 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

Self-supervised representation learning on text-attributed graphs, which aims to create expressive and generalizable representations for various downstream tasks, has received increasing research attention lately. However, existing methods…

计算与语言 · 计算机科学 2023-10-24 Yichuan Li , Kaize Ding , Kyumin Lee

Graph embedding is essential for graph mining tasks. With the prevalence of graph data in real-world applications, many methods have been proposed in recent years to learn high-quality graph embedding vectors various types of graphs.…

机器学习 · 计算机科学 2021-05-25 Jianxin Li , Xingcheng Fu , Hao Peng , Senzhang Wang , Shijie Zhu , Qingyun Sun , Philip S. Yu , Lifang He

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…

机器学习 · 计算机科学 2021-04-01 Minkai Xu , Shitong Luo , Yoshua Bengio , Jian Peng , Jian Tang

We introduce the Graph Sylvester Embedding (GSE), an unsupervised graph representation of local similarity, connectivity, and global structure. GSE uses the solution of the Sylvester equation to capture both network structure and…

机器学习 · 计算机科学 2022-05-10 Shay Deutsch , Stefano Soatto

Graph Neural Networks (GNNs) perform effectively when training and testing graphs are drawn from the same distribution, but struggle to generalize well in the face of distribution shifts. To address this issue, existing mainstreaming graph…

机器学习 · 计算机科学 2024-12-18 Yujie Wang , Kui Yu , Yuhong Zhang , Fuyuan Cao , Jiye Liang

Functional brain graphs are often characterized with separate graph-theoretic or spectral descriptors, overlooking how these properties covary and partially overlap across brains and conditions. We anticipate that dense, weighted functional…

神经元与认知 · 定量生物学 2025-11-07 Subati Abulikemu , Tiago Azevedo , Michail Mamalakis , John Suckling

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

性能 · 计算机科学 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

机器学习 · 计算机科学 2025-03-21 Kaizhe Fan , Quanjun Li

A fundamental problem on graph-structured data is that of quantifying similarity between graphs. Graph kernels are an established technique for such tasks; in particular, those based on random walks and return probabilities have proven to…

机器学习 · 计算机科学 2021-01-21 Leo Huang , Andrew Graven , David Bindel

To understand a scene in depth not only involves locating/recognizing individual objects, but also requires to infer the relationships and interactions among them. However, since the distribution of real-world relationships is seriously…

计算机视觉与模式识别 · 计算机科学 2019-03-11 Tianshui Chen , Weihao Yu , Riquan Chen , Liang Lin

Diffusion models have established themselves as state-of-the-art generative models across various data modalities, including images and videos, due to their ability to accurately approximate complex data distributions. Unlike traditional…

机器学习 · 计算机科学 2025-10-23 Daniel Wesego

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…

机器学习 · 计算机科学 2024-01-23 Jaeyoon Sim , Sooyeon Jeon , InJun Choi , Guorong Wu , Won Hwa Kim

Graph learning (GL) can dynamically capture the distribution structure (graph structure) of data based on graph convolutional networks (GCN), and the learning quality of the graph structure directly influences GCN for semi-supervised…

计算机视觉与模式识别 · 计算机科学 2020-06-01 Guangfeng Lin , Xiaobing Kang , Kaiyang Liao , Fan Zhao , Yajun Chen

We propose a kernel regression method to predict a target signal lying over a graph when an input observation is given. The input and the output could be two different physical quantities. In particular, the input may not be a graph signal…

信息论 · 计算机科学 2019-08-02 Arun Venkitaraman , Saikat Chatterjee , Peter Händel

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…

密码学与安全 · 计算机科学 2023-06-14 Yihan Ma , Zhikun Zhang , Ning Yu , Xinlei He , Michael Backes , Yun Shen , Yang Zhang