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Graph kernels are widely used for measuring the similarity between graphs. Many existing graph kernels, which focus on local patterns within graphs rather than their global properties, suffer from significant structure information loss when…

Machine Learning · Computer Science 2019-12-02 Lingfei Wu , Ian En-Hsu Yen , Zhen Zhang , Kun Xu , Liang Zhao , Xi Peng , Yinglong Xia , Charu Aggarwal

Graphs are fundamental data structures which concisely capture the relational structure in many important real-world domains, such as knowledge graphs, physical and social interactions, language, and chemistry. Here we introduce a powerful…

Machine Learning · Computer Science 2018-03-12 Yujia Li , Oriol Vinyals , Chris Dyer , Razvan Pascanu , Peter Battaglia

Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs. However, many graph analytics tasks such as graph…

Artificial Intelligence · Computer Science 2017-07-18 Annamalai Narayanan , Mahinthan Chandramohan , Rajasekar Venkatesan , Lihui Chen , Yang Liu , Shantanu Jaiswal

In the realm of generative models for graphs, extensive research has been conducted. However, most existing methods struggle with large graphs due to the complexity of representing the entire joint distribution across all node pairs and…

Social and Information Networks · Computer Science 2024-05-15 Andreas Bergmeister , Karolis Martinkus , Nathanaël Perraudin , Roger Wattenhofer

Graph generation is a crucial task in many fields, including network science and bioinformatics, as it enables the creation of synthetic graphs that mimic the properties of real-world networks for various applications. Graph Generative…

Machine Learning · Computer Science 2026-01-21 Salvatore Romano , Marco Grassia , Giuseppe Mangioni

Modeling generative process of growing graphs has wide applications in social networks and recommendation systems, where cold start problem leads to new nodes isolated from existing graph. Despite the emerging literature in learning graph…

Machine Learning · Computer Science 2019-06-03 Da Xu , Chuanwei Ruan , Kamiya Motwani , Evren Korpeoglu , Sushant Kumar , Kannan Achan

Generative models of graph structure have applications in biology and social sciences. The state of the art is GraphRNN, which decomposes the graph generation process into a series of sequential steps. While effective for modest sizes, it…

Machine Learning · Computer Science 2019-10-18 Tony Duan , Juho Lee

In genome-scale constraint-based metabolic models, gene deletion strategies are essential for achieving growth-coupled production, where cell growth and target metabolite synthesis occur simultaneously. Despite the inherently networked…

Quantitative Methods · Quantitative Biology 2026-04-10 Ziwei Yang , Takeyuki Tamura

With the development of graph applications, generative models for graphs have been more crucial. Classically, stochastic models that generate graphs with a pre-defined probability of edges and nodes have been studied. Recently, some models…

Machine Learning · Computer Science 2023-04-07 Shohei Nakazawa , Yoshiki Sato , Kenji Nakagawa , Sho Tsugawa , Kohei Watabe

Graph kernels are kernel methods measuring graph similarity and serve as a standard tool for graph classification. However, the use of kernel methods for node classification, which is a related problem to graph representation learning, is…

Machine Learning · Computer Science 2019-10-08 Yu Tian , Long Zhao , Xi Peng , Dimitris N. Metaxas

While a wide range of interpretable generative procedures for graphs exist, matching observed graph topologies with such procedures and choices for its parameters remains an open problem. Devising generative models that closely reproduce…

Machine Learning · Computer Science 2019-11-11 Niklas Stoehr , Emine Yilmaz , Marc Brockschmidt , Jan Stuehmer

This note describes a new approach to classifying graphs that leverages graph generative models (GGM). Assuming a GGM that defines a joint probability distribution over graphs and their class labels, I derive classification formulas for the…

Machine Learning · Computer Science 2023-07-25 Oliver Schulte

Periodic graphs are graphs consisting of repetitive local structures, such as crystal nets and polygon mesh. Their generative modeling has great potential in real-world applications such as material design and graphics synthesis. Classical…

Machine Learning · Computer Science 2022-10-07 Shiyu Wang , Xiaojie Guo , Liang Zhao

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

We present GraphMoE, a novel neural network-based approach to learning generative models for random graphs. The neural network is trained to match the distribution of a class of random graphs by way of a moment estimator. The features used…

Machine Learning · Statistics 2022-04-19 Vittorio Loprinzo , Laurent Younes

This work proposes a framework LGKDE that learns kernel density estimation for graphs. The key challenge in graph density estimation lies in effectively capturing both structural patterns and semantic variations while maintaining…

Machine Learning · Computer Science 2026-05-27 Xudong Wang , Ziheng Sun , Chris Ding , Jicong Fan

Many scientific datasets are of high dimension, and the analysis usually requires visual manipulation by retaining the most important structures of data. Principal curve is a widely used approach for this purpose. However, many existing…

Artificial Intelligence · Computer Science 2016-01-19 Qi Mao , Li Wang , Ivor W. Tsang , Yijun Sun

Deep Neural Networks have shown tremendous success in the area of object recognition, image classification and natural language processing. However, designing optimal Neural Network architectures that can learn and output arbitrary graphs…

Machine Learning · Computer Science 2019-07-02 Mital Kinderkhedia

In real world domains, most graphs naturally exhibit a hierarchical structure. However, data-driven graph generation is yet to effectively capture such structures. To address this, we propose a novel approach that recursively generates…

Machine Learning · Computer Science 2023-06-01 Mahdi Karami , Jun Luo
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