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Graphs are a commonly used construct for representing relationships between elements in complex high dimensional datasets. Many real-world phenomenon are dynamic in nature, meaning that any graph used to represent them is inherently…

Social and Information Networks · Computer Science 2018-11-21 Stephen Bonner , John Brennan , Ibad Kureshi , Georgios Theodoropoulos , Andrew Stephen McGough , Boguslaw Obara

Training generative models that capture rich semantics of the data and interpreting the latent representations encoded by such models are very important problems in un-/self-supervised learning. In this work, we provide a simple algorithm…

Machine Learning · Computer Science 2024-09-02 Samuel C. Hoffman , Payel Das , Karthikeyan Shanmugam , Kahini Wadhawan , Prasanna Sattigeri

Learning a faithful directed acyclic graph (DAG) from samples of a joint distribution is a challenging combinatorial problem, owing to the intractable search space superexponential in the number of graph nodes. A recent breakthrough…

Machine Learning · Computer Science 2019-04-24 Yue Yu , Jie Chen , Tian Gao , Mo Yu

In this note we explore a fully unsupervised deep-learning framework for simulating non-linear structural equation models from observational training data. The main contribution of this note is an architecture for applying moment-matching…

Machine Learning · Statistics 2020-07-28 Michael Park

Deep learning-based graph generation approaches have remarkable capacities for graph data modeling, allowing them to solve a wide range of real-world problems. Making these methods able to consider different conditions during the generation…

Machine Learning · Computer Science 2023-01-11 Faezeh Faez , Negin Hashemi Dijujin , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

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

Causal structure learning has been a challenging task in the past decades and several mainstream approaches such as constraint- and score-based methods have been studied with theoretical guarantees. Recently, a new approach has transformed…

Machine Learning · Computer Science 2019-11-19 Ignavier Ng , Shengyu Zhu , Zhitang Chen , Zhuangyan Fang

Variational Autoencoders (VAEs) are powerful in data representation inference, but it cannot learn relations between features with its vanilla form and common variations. The ability to capture relations within data can provide the much…

Machine Learning · Computer Science 2020-07-23 Chen Wang , Chengyuan Deng , Vladimir Ivanov

In this paper, we propose Multiresolution Equivariant Graph Variational Autoencoders (MGVAE), the first hierarchical generative model to learn and generate graphs in a multiresolution and equivariant manner. At each resolution level, MGVAE…

Machine Learning · Computer Science 2022-06-30 Truong Son Hy , Risi Kondor

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

Joint-Embedding Predictive Architectures (JEPAs) have recently emerged as a novel and powerful technique for self-supervised representation learning. They aim to learn an energy-based model by predicting the latent representation of a…

Machine Learning · Computer Science 2025-01-22 Geri Skenderi , Hang Li , Jiliang Tang , Marco Cristani

Graph autoencoders (GAEs) are powerful tools in representation learning for graph embedding. However, the performance of GAEs is very dependent on the quality of the graph structure, i.e., of the adjacency matrix. In other words, GAEs would…

Machine Learning · Computer Science 2021-03-24 Rui Zhang , Yunxing Zhang , Xuelong Li

Graph generation is an extremely important task, as graphs are found throughout different areas of science and engineering. In this work, we focus on the modern equivalent of the Erdos-Renyi random graph model: the graph variational…

Machine Learning · Computer Science 2020-02-19 Daniel Flam-Shepherd , Tony Wu , Alan Aspuru-Guzik

We provide a novel approach to construct generative models for graphs. Instead of using the traditional probabilistic models or deep generative models, we propose to instead find an algorithm that generates the data. We achieve this using…

Machine Learning · Computer Science 2023-04-26 Mihai Babiac , Karolis Martinkus , Roger Wattenhofer

We consider multi-solution optimization and generative models for the generation of diverse artifacts and the discovery of novel solutions. In cases where the domain's factors of variation are unknown or too complex to encode manually,…

Machine Learning · Computer Science 2021-05-11 Alexander Hagg , Sebastian Berns , Alexander Asteroth , Simon Colton , Thomas Bäck

A graph is a powerful concept for representation of relations between pairs of entities. Data with underlying graph structure can be found across many disciplines and there is a natural desire for understanding such data better. Deep…

Machine Learning · Computer Science 2019-01-25 Martin Simonovsky

By composing graphical models with deep learning architectures, we learn generative models with the strengths of both frameworks. The structured variational autoencoder (SVAE) inherits structure and interpretability from graphical models,…

Machine Learning · Computer Science 2023-11-15 Harry Bendekgey , Gabriel Hope , Erik B. Sudderth

Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the…

Machine Learning · Statistics 2018-11-28 Yingxue Zhang , Soumyasundar Pal , Mark Coates , Deniz Üstebay

We present a graph neural network model for solving graph-to-graph learning problems. Most deep learning on graphs considers ``simple'' problems such as graph classification or regressing real-valued graph properties. For such tasks, the…

Machine Learning · Computer Science 2021-06-08 Guan Wang , Francois Bernard Lauze , Aasa Feragen

Deep generative models for Natural Language data offer a new angle on the problem of graph synthesis: by optimizing differentiable models that directly generate graphs, it is possible to side-step expensive search procedures in the discrete…

Machine Learning · Computer Science 2023-06-12 Robert Lo , Arnhav Datar , Abishek Sridhar