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With recent advances in high-throughput cell biology the amount of cellular biological data has grown drastically. Such data is often modeled as graphs (also called networks) and studying them can lead to new insights into molecule-level…

Social and Information Networks · Computer Science 2015-11-09 David Aparício , Pedro Ribeiro , Fernando Silva

Real-world complex networks are usually being modeled as graphs. The concept of graphs assumes that the relations within the network are binary (for instance, between pairs of nodes); however, this is not always true for many real-life…

Social and Information Networks · Computer Science 2020-05-06 Alessia Antelmi , Gennaro Cordasco , Bogumił Kamiński , Paweł Prałat , Vittorio Scarano , Carmine Spagnuolo , Przemyslaw Szufel

Protein-protein interaction (PPI) networks, providing a comprehensive landscape of protein interacting patterns, enable us to explore biological processes and cellular components at multiple resolutions. For a biological process, a number…

Molecular Networks · Quantitative Biology 2016-04-13 Xiuli Ma , Guangyu Zhou , Jingjing Wang , Jian Peng , Jiawei Han

The modeling flexibility provided by hypergraphs has drawn a lot of interest from the combinatorial scientific community, leading to novel models and algorithms, their applications, and development of associated tools. Hypergraphs are now a…

Data Structures and Algorithms · Computer Science 2015-03-19 Enver Kayaaslan , Ali Pinar , Umit V. Catalyurek , Cevdet Aykanat

Natural physical, chemical, and biological dynamical systems are often complex, with heterogeneous components interacting in diverse ways. We show how simple graph neural networks can be designed to jointly learn the interaction rules and…

Hypergraphs provide an effective modeling approach for modeling high-order relationships in many real-world datasets. To capture such complex relationships, several hypergraph neural networks have been proposed for learning hypergraph…

Machine Learning · Computer Science 2024-04-08 Rongping Ye , Xiaobing Pei , Haoran Yang , Ruiqi Wang

With the rapid development of biomedical software and hardware, a large amount of relational data interlinking genes, proteins, chemical components, drugs, diseases, and symptoms has been collected for modern biomedical research. Many…

Artificial Intelligence · Computer Science 2021-01-21 Yankai Chen , Yaozu Wu , Shicheng Ma , Irwin King

Inferring topological characteristics of complex networks from observed data is critical to understand the dynamical behavior of networked systems, ranging from the Internet and the World Wide Web to biological networks and social networks.…

Multiagent Systems · Computer Science 2020-05-13 Chunheng Jiang , Jianxi Gao , Malik Magdon-Ismail

Graphs are naturally used to describe the structures of various real-world systems in biology, society, computer science etc., where subgraphs or motifs as basic blocks play an important role in function expression and information…

Social and Information Networks · Computer Science 2021-02-11 Jinhuan Wang , Pengtao Chen , Bin Ma , Jiajun Zhou , Zhongyuan Ruan , Guanrong Chen , Qi Xuan

Link prediction aims to infer missing links or predicting the future ones based on currently observed partial networks, it is a fundamental problem in network science with tremendous real-world applications. However, conventional link…

Social and Information Networks · Computer Science 2019-10-30 Weiwei Gu , Fei Gao , Xiaodan Lou , Jiang Zhang

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Machine Learning · Computer Science 2022-11-28 Hatem Helal , Jesun Firoz , Jenna Bilbrey , Mario Michael Krell , Tom Murray , Ang Li , Sotiris Xantheas , Sutanay Choudhury

Complex networks often exhibit community structure, with communities corresponding to denser subgraphs in which nodes are closely linked. When modelling systems where interactions extend beyond node pairs to arbitrary numbers of nodes,…

Physics and Society · Physics 2025-10-16 Bianka Kovács , Barnabás Benedek , Gergely Palla

We consider representation learning for proteins with 3D structures. We build 3D graphs based on protein structures and develop graph networks to learn their representations. Depending on the levels of details that we wish to capture,…

Machine Learning · Computer Science 2023-03-07 Limei Wang , Haoran Liu , Yi Liu , Jerry Kurtin , Shuiwang Ji

We introduce a random hypergraph model for core-periphery structure. By leveraging our model's sufficient statistics, we develop a novel statistical inference algorithm that is able to scale to large hypergraphs with runtime that is…

Social and Information Networks · Computer Science 2022-06-03 Marios Papachristou , Jon Kleinberg

Link prediction in complex networks has attracted considerable attention from interdisciplinary research communities, due to its ubiquitous applications in biological networks, social networks, transportation networks, telecommunication…

Social and Information Networks · Computer Science 2020-12-22 Ece C. Mutlu , Toktam A. Oghaz , Amirarsalan Rajabi , Ivan Garibay

Gene and protein networks are very important to model complex large-scale systems in molecular biology. Inferring or reverseengineering such networks can be defined as the process of identifying gene/protein interactions from experimental…

Machine Learning · Computer Science 2017-03-10 Stefano Beretta , Mauro Castelli , Ivo Goncalves , Ivan Merelli , Daniele Ramazzotti

Complex networks can be used to analyze structures and systems in the embryo. Not only can we characterize growth and the emergence of form, but also differentiation. The process of differentiation from precursor cell populations to…

Quantitative Methods · Quantitative Biology 2023-11-30 Bradly Alicea

We address the problem of graph classification based only on structural information. Inspired by natural language processing techniques (NLP), our model sequentially embeds information to estimate class membership probabilities. Besides, we…

Machine Learning · Computer Science 2019-05-14 Edouard Pineau , Nathan de Lara

Machine learning techniques paired with the availability of massive datasets dramatically enhance our ability to explore the chemical compound space by providing fast and accurate predictions of molecular properties. However, learning on…

To incorporate spatial (neighborhood) and bidirectional hierarchical relationships as well as features and priors of the samples into their classification, we formulated the classification problem on three variants of multiresolution…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Faezeh Fallah
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