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Graphs are ubiquitous data structures for representing interactions between entities. With an emphasis on the use of graphs to represent chemical molecules, we explore the task of learning to generate graphs that conform to a distribution…

Machine Learning · Computer Science 2019-03-08 Qi Liu , Miltiadis Allamanis , Marc Brockschmidt , Alexander L. Gaunt

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…

Computer Vision and Pattern Recognition · Computer Science 2020-06-01 Guangfeng Lin , Xiaobing Kang , Kaiyang Liao , Fan Zhao , Yajun Chen

Structure learning of Gaussian graphical models is an extensively studied problem in the classical multivariate setting where the sample size n is larger than the number of random variables p, as well as in the more challenging setting when…

Methodology · Statistics 2012-02-20 Inma Tur , Robert Castelo

Graphs are a central representation in biomedical research, capturing molecular interaction networks, gene regulatory circuits, cell--cell communication maps, and knowledge graphs. Despite their importance, currently there is not a broadly…

Machine Learning · Computer Science 2026-04-09 Sakib Mostafa , Lei Xing , Md. Tauhidul Islam

In this work, we introduce a new algorithm for analyzing a diagram, which contains visual and textual information in an abstract and integrated way. Whereas diagrams contain richer information compared with individual image-based or…

Computer Vision and Pattern Recognition · Computer Science 2017-11-28 Daesik Kim , Youngjoon Yoo , Jeesoo Kim , Sangkuk Lee , Nojun Kwak

Effective information analysis generally boils down to properly identifying the structure or geometry of the data, which is often represented by a graph. In some applications, this structure may be partly determined by design constraints or…

Machine Learning · Computer Science 2016-11-07 Dorina Thanou , Xiaowen Dong , Daniel Kressner , Pascal Frossard

Graph representation learning models aim to represent the graph structure and its features into low-dimensional vectors in a latent space, which can benefit various downstream tasks, such as node classification and link prediction. Due to…

Machine Learning · Computer Science 2023-04-27 Thanh Sang Nguyen , Jooho Lee , Van Thuy Hoang , O-Joun Lee

The ability to control a complex network towards a desired behavior relies on our understanding of the complex nature of these social and technological networks. The existence of numerous control schemes in a network promotes us to wonder:…

Systems and Control · Computer Science 2016-12-01 Xizhe Zhang , Tianyang Lv , Yuanyuan Pu

To develop effective and efficient graph similarity learning (GSL) models, a series of data-driven neural algorithms have been proposed in recent years. Although GSL models are frequently deployed in privacy-sensitive scenarios, the user…

Machine Learning · Computer Science 2022-10-24 Yupeng Hou , Wayne Xin Zhao , Yaliang Li , Ji-Rong Wen

Biological and cellular systems are often modeled as graphs in which vertices represent objects of interest (genes, proteins, drugs) and edges represent relational ties among these objects (binds-to, interacts-with, regulates). This…

Machine Learning · Statistics 2017-03-16 Jose Lugo-Martinez , Predrag Radivojac

Chordal graphs can be used to encode dependency models that are representable by both directed acyclic and undirected graphs. This paper discusses a very simple and efficient algorithm to learn the chordal structure of a probabilistic model…

Machine Learning · Computer Science 2012-06-18 Vincent Auvray , Louis Wehenkel

With recent advancements in non-invasive techniques for measuring brain activity, such as magnetic resonance imaging (MRI), the study of structural and functional brain networks through graph signal processing (GSP) has gained notable…

Machine Learning · Computer Science 2025-11-13 Martín Schmidt , Sara Silva , Federico Larroca , Gonzalo Mateos , Pablo Musé

Interaction networks are of central importance in post-genomic molecular biology, with increasing amounts of data becoming available by high-throughput methods. Examples are gene regulatory networks or protein interaction maps. The main…

Statistical Mechanics · Physics 2009-11-10 Johannes Berg , Michael Lässig

In undirected graphical models, learning the graph structure and learning the functions that relate the predictive variables (features) to the responses given the structure are two topics that have been widely investigated in machine…

Artificial Intelligence · Computer Science 2015-03-19 Shilin Ding

Most existing popular methods for learning graph embedding only consider fixed-order global structural features and lack structures hierarchical representation. To address this weakness, we propose a novel graph embedding algorithm named…

Machine Learning · Computer Science 2021-02-03 Xue Liu , Wei Wei , Xiangnan Feng , Xiaobo Cao , Dan Sun

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

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Understanding the mathematical properties of graphs underling biological systems could give hints on the evolutionary mechanisms behind these structures. In this article we perform a complete statistical analysis over thousands of graphs…

Molecular Networks · Quantitative Biology 2019-08-29 D. Gamermann , J. Triana , R. Jaime

Many optimization, inference and learning tasks can be accomplished efficiently by means of decentralized processing algorithms where the network topology (i.e., the graph) plays a critical role in enabling the interactions among…

Multiagent Systems · Computer Science 2020-08-06 Vincenzo Matta , Augusto Santos , Ali H. Sayed

Chain graphs (CG) use undirected and directed edges to represent both structural and associative dependences. Like acyclic directed graphs (ADGs), the CG associated with a statistical Markov model may not be unique, so CGs fall into Markov…

Statistics Theory · Mathematics 2019-10-16 Steen A. Andersson , Michael D. Perlman