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Related papers: Generating Graphs via Spectral Diffusion

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Generating molecular graphs is a challenging task due to their discrete nature and the competitive objectives involved. Diffusion models have emerged as SOTA approaches in data generation across various modalities. For molecular graphs,…

Machine Learning · Computer Science 2025-01-08 Prashanth Pombala , Gerrit Grossmann , Verena Wolf

Diffusion-based generative graph models have been proven effective in generating high-quality small graphs. However, they need to be more scalable for generating large graphs containing thousands of nodes desiring graph statistics. In this…

Machine Learning · Computer Science 2023-06-01 Xiaohui Chen , Jiaxing He , Xu Han , Li-Ping Liu

Despite advances in generative methods, accurately modeling the distribution of graphs remains a challenging task primarily because of the absence of predefined or inherent unique graph representation. Two main strategies have emerged to…

Machine Learning · Computer Science 2024-01-31 Yoann Boget , Magda Gregorova , Alexandros Kalousis

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales…

Machine Learning · Computer Science 2026-04-02 Yoann Boget , Pablo Strasser , Alexandros Kalousis

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for…

Machine Learning · Computer Science 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Graphs possess exotic features like variable size and absence of natural ordering of the nodes that make them difficult to analyze and compare. To circumvent this problem and learn on graphs, graph feature representation is required. A good…

Machine Learning · Computer Science 2019-12-03 Edouard Pineau

Graph-based techniques and spectral graph theory have enriched the field of machine learning with a variety of critical advances. A central object in the analysis is the graph Laplacian L, which encodes the structure of the graph. We…

Machine Learning · Computer Science 2026-04-23 Daniele Calandriello , Ioannis Koutis , Alessandro Lazaric , Michal Valko

Graph neural networks (GNNs), especially dynamic GNNs, have become a research hotspot in spatio-temporal forecasting problems. While many dynamic graph construction methods have been developed, relatively few of them explore the causal…

Machine Learning · Computer Science 2023-05-18 Guojun Liang , Prayag Tiwari , Sławomir Nowaczyk , Stefan Byttner , Fernando Alonso-Fernandez

This is a tutorial and survey paper for nonlinear dimensionality and feature extraction methods which are based on the Laplacian of graph of data. We first introduce adjacency matrix, definition of Laplacian matrix, and the interpretation…

Machine Learning · Statistics 2022-08-09 Benyamin Ghojogh , Ali Ghodsi , Fakhri Karray , Mark Crowley

Graph Convolutional Networks (GCNs) have proven to be successful tools for semi-supervised classification on graph-based datasets. We propose a new GCN variant whose three-part filter space is targeted at dense graphs. Examples include…

Machine Learning · Computer Science 2021-01-29 Dominik Alfke , Martin Stoll

Diffusion models are central to generative modeling and have been adapted to graphs by diffusing adjacency matrix representations. The challenge of having up to $n!$ such representations for graphs with $n$ nodes is only partially mitigated…

In graph signal processing, the graph adjacency matrix or the graph Laplacian commonly define the shift operator. The spectral decomposition of the shift operator plays an important role in that the eigenvalues represent frequencies and the…

Numerical Analysis · Computer Science 2016-11-09 Stephen Kruzick , Jose M. F. Moura

Learning a graph with a specific structure is essential for interpretability and identification of the relationships among data. It is well known that structured graph learning from observed samples is an NP-hard combinatorial problem. In…

Machine Learning · Statistics 2019-09-26 Sandeep Kumar , Jiaxi Ying , Jos'e Vin'icius de M. Cardoso , Daniel P. Palomar

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

Laplacian Eigenvectors of the graph constructed from a data set are used in many spectral manifold learning algorithms such as diffusion maps and spectral clustering. Given a graph constructed from a random sample of a $d$-dimensional…

Machine Learning · Statistics 2015-10-29 Xu Wang

We study the problem of constructing a graph Fourier transform (GFT) for directed graphs (digraphs), which decomposes graph signals into different modes of variation with respect to the underlying network. Accordingly, to capture low,…

Spectral Theory · Mathematics 2017-06-01 Rasoul Shafipour , Ali Khodabakhsh , Gonzalo Mateos , Evdokia Nikolova

We introduce an unsupervised graph embedding that trades off local node similarity and connectivity, and global structure. The embedding is based on a generalized graph Laplacian, whose eigenvectors compactly capture both network structure…

Machine Learning · Computer Science 2020-10-01 Shay Deutsch , Stefano Soatto

Graph neural networks (GNNs) enable the analysis of graphs using deep learning, with promising results in capturing structured information in graphs. This paper focuses on creating a small graph to represent the original graph, so that GNNs…

Machine Learning · Computer Science 2022-06-29 Mengyang Liu , Shanchuan Li , Xinshi Chen , Le Song

Graph Neural Networks (GNNs) conventionally rely on standard Laplacian or adjacency matrices for structural message passing. In this work, we substitute the traditional Laplacian with a Doubly Stochastic graph Matrix (DSM), derived from the…

Machine Learning · Computer Science 2026-04-17 Zhaobo Hu , Vincent Gauthier , Mehdi Naima

Graph learning methods have recently been receiving increasing interest as means to infer structure in datasets. Most of the recent approaches focus on different relationships between a graph and data sample distributions, mostly in…

Machine Learning · Computer Science 2020-03-23 Hermina Petric Maretic , Pascal Frossard