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Given a set of graphs from some unknown family, we want to generate new graphs from that family. Recent methods use diffusion on either graph embeddings or the discrete space of nodes and edges. However, simple changes to embeddings (say,…

机器学习 · 计算机科学 2026-05-08 Rahul Nandakumar , Deepayan Chakrabarti

Generative models for graphs have been actively studied for decades, and they have a wide range of applications. Recently, learning-based graph generation that reproduces real-world graphs has been attracting the attention of many…

机器学习 · 计算机科学 2023-04-07 Kohei Watabe , Shohei Nakazawa , Yoshiki Sato , Sho Tsugawa , Kenji Nakagawa

Social and information networks are gaining huge popularity recently due to their various applications. Knowledge representation through graphs in the form of nodes and edges should preserve as many characteristics of the original data as…

机器学习 · 计算机科学 2021-02-08 Rucha Bhalchandra Joshi , Subhankar Mishra

The theory of Group Equivariant Non-Expansive Operators (GENEOs) was initially developed in Topological Data Analysis for the geometric approximation of data observers, including their invariances and symmetries. This paper departs from…

机器学习 · 计算机科学 2025-02-27 Giovanni Bocchi , Massimo Ferri , Patrizio Frosini

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…

机器学习 · 计算机科学 2020-03-03 Chenhao Niu , Yang Song , Jiaming Song , Shengjia Zhao , Aditya Grover , Stefano Ermon

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

机器学习 · 计算机科学 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

Graph neural networks (GNNs) have achieved significant progress in graph-based learning tasks, yet their performance often deteriorates when facing heterophilous structures where connected nodes differ substantially in features and labels.…

机器学习 · 计算机科学 2025-11-13 Xuanze Chen , Jiajun Zhou , Yadong Li , Jinsong Chen , Shanqing Yu , Qi Xuan

Diffusion-based graph generative models have recently obtained promising results for graph generation. However, existing diffusion-based graph generative models are mostly one-shot generative models that apply Gaussian diffusion in the…

人工智能 · 计算机科学 2023-07-19 Lingkai Kong , Jiaming Cui , Haotian Sun , Yuchen Zhuang , B. Aditya Prakash , Chao Zhang

We present an approach to synthesizing new graph structures from empirically specified distributions. The generative model is an auto-decoder that learns to synthesize graphs from latent codes. The graph synthesis model is learned jointly…

机器学习 · 计算机科学 2020-06-05 Sohil Atul Shah , Vladlen Koltun

Nodes residing in different parts of a graph can have similar structural roles within their local network topology. The identification of such roles provides key insight into the organization of networks and can be used for a variety of…

社会与信息网络 · 计算机科学 2018-06-21 Claire Donnat , Marinka Zitnik , David Hallac , Jure Leskovec

In this work, we present a probabilistic model for directed graphs where nodes have attributes and labels. This model serves as a generative classifier capable of predicting the labels of unseen nodes using either maximum likelihood or…

机器学习 · 计算机科学 2025-01-06 Diego Huerta , Gerardo Arizmendi

The simulation of discrete karst networks presents a significant challenge due to the complexity of the physicochemical processes occurring within various geological and hydrogeological contexts over extended periods. This complex interplay…

机器学习 · 统计学 2025-06-12 Dany Lauzon , Julien Straubhaar , Philippe Renard

Many real-world problems can be represented as graph-based learning problems. In this paper, we propose a novel framework for learning spatial and attentional convolution neural networks on arbitrary graphs. Different from previous…

机器学习 · 计算机科学 2019-02-26 Hao Peng , Jianxin Li , Qiran Gong , Senzhang Wang , Yuanxing Ning , Philip S. Yu

We introduce graph normalizing flows: a new, reversible graph neural network model for prediction and generation. On supervised tasks, graph normalizing flows perform similarly to message passing neural networks, but at a significantly…

机器学习 · 计算机科学 2019-05-31 Jenny Liu , Aviral Kumar , Jimmy Ba , Jamie Kiros , Kevin Swersky

Diffusion models, as a novel generative paradigm, have achieved remarkable success in various image generation tasks such as image inpainting, image-to-text translation, and video generation. Graph generation is a crucial computational task…

机器学习 · 计算机科学 2023-08-29 Chengyi Liu , Wenqi Fan , Yunqing Liu , Jiatong Li , Hang Li , Hui Liu , Jiliang Tang , Qing Li

A graph is a very common and powerful data structure used for modeling communication and social networks. Models that generate graphs with arbitrary features are important basic technologies in repeated simulations of networks and…

机器学习 · 计算机科学 2023-09-06 Takahiro Yokoyama , Yoshiki Sato , Sho Tsugawa , Kohei Watabe

We consider a class of growing random graphs obtained by creating vertices sequentially one by one: at each step, we choose uniformly the neighbours of the newly created vertex; its degree is a random variable with a fixed but arbitrary…

组合数学 · 数学 2013-11-13 Svante Janson , Simone Severini

Graph neural networks (GNNs) have achieved strong performance in various applications. In the real world, network data is usually formed in a streaming fashion. The distributions of patterns that refer to neighborhood information of nodes…

机器学习 · 计算机科学 2020-12-07 Junshan Wang , Guojie Song , Yi Wu , Liang Wang

Deep learning on graphs has become a popular research topic with many applications. However, past work has concentrated on learning graph embedding tasks, which is in contrast with advances in generative models for images and text. Is it…

机器学习 · 计算机科学 2018-02-13 Martin Simonovsky , Nikos Komodakis

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