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Graph Neural Networks (GNNs) have achieved significant success across various applications. However, their complex structures and inner workings can be challenging for non-AI experts to understand. To address this issue, this study presents…

Human-Computer Interaction · Computer Science 2025-12-18 Yilin Lu , Chongwei Chen , Yuxin Chen , Kexin Huang , Marinka Zitnik , Qianwen Wang

Recent genomic and bioinformatic advances have motivated the development of numerous random network models purporting to describe graphs of biological, technological, and sociological origin. The success of a model has been evaluated by how…

Molecular Networks · Quantitative Biology 2007-05-23 Manuel Middendorf , Etay Ziv , Carter Adams , Jen Hom , Robin Koytcheff , Chaya Levovitz , Gregory Woods , Linda Chen , Chris Wiggins

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

Machine Learning · Computer Science 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

Graph neural networks (GNNs) are powerful graph-based deep-learning models that have gained significant attention and demonstrated remarkable performance in various domains, including natural language processing, drug discovery, and…

Machine Learning · Computer Science 2023-06-06 Jaykumar Kakkad , Jaspal Jannu , Kartik Sharma , Charu Aggarwal , Sourav Medya

Graphs are a powerful tool for representing and analyzing unstructured, non-Euclidean data ubiquitous in the healthcare domain. Two prominent examples are molecule property prediction and brain connectome analysis. Importantly, recent works…

Machine Learning · Computer Science 2022-04-04 Kamilia Mullakaeva , Luca Cosmo , Anees Kazi , Seyed-Ahmad Ahmadi , Nassir Navab , Michael M. Bronstein

This work presents the use of graph learning for the prediction of multi-step experimental outcomes for applications across experimental research, including material science, chemistry, and biology. The viability of geometric learning for…

Machine Learning · Computer Science 2024-08-13 Amanda A. Volk , Robert W. Epps , Jeffrey G. Ethier , Luke A. Baldwin

The explainability of deep networks is becoming a central issue in the deep learning community. It is the same for learning on graphs, a data structure present in many real world problems. In this paper, we propose a method that is more…

Machine Learning · Computer Science 2022-07-27 Adrien Raison , Pascal Bourdon , David Helbert

Graph and network visualization supports exploration, analysis and communication of relational data arising in many domains: from biological and social networks, to transportation and powergrid systems. With the arrival of AI-based…

Comparative graph and network analysis play an important role in both systems biology and pattern recognition, but existing surveys on the topic have historically ignored or underserved one or the other of these fields. We present an…

Social and Information Networks · Computer Science 2019-05-17 Emily Evans , Marissa Graham

Graph drawings are useful tools for exploring the structure and dynamics of data that can be represented by pair-wise relationships among a set of objects. Typical real-world social, biological or technological networks exhibit high…

Social and Information Networks · Computer Science 2018-07-05 Christian Schulz

Understanding and interacting with everyday physical scenes requires rich knowledge about the structure of the world, represented either implicitly in a value or policy function, or explicitly in a transition model. Here we introduce a new…

Graph Neural Networks (GNNs) have recently shown to be powerful tools for representing and analyzing graph data. So far GNNs is becoming an increasingly critical role in software engineering including program analysis, type inference, and…

Artificial Intelligence · Computer Science 2021-02-17 Jintang Li , Kun Xu , Liang Chen , Zibin Zheng , Xiao Liu

Graphs are a fundamental abstraction for modeling relational data. However, graphs are discrete and combinatorial in nature, and learning representations suitable for machine learning tasks poses statistical and computational challenges. In…

Machine Learning · Statistics 2019-05-16 Aditya Grover , Aaron Zweig , Stefano Ermon

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Graph Neural Networks (GNNs) have demonstrated strong representation learning capabilities for graph-based tasks. Recent advances on GNNs leverage geometric properties, such as curvature, to enhance its representation capabilities by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Ahad N. Zehmakan , Qing Wang

Graph clustering, which aims to divide nodes in the graph into several distinct clusters, is a fundamental yet challenging task. Benefiting from the powerful representation capability of deep learning, deep graph clustering methods have…

Machine Learning · Computer Science 2023-09-13 Yue Liu , Jun Xia , Sihang Zhou , Xihong Yang , Ke Liang , Chenchen Fan , Yan Zhuang , Stan Z. Li , Xinwang Liu , Kunlun He

This tutorial serves as a comprehensive guide for understanding graph databases, focusing on the fundamentals of graph theory while showcasing practical applications across various fields. It starts by introducing foundational concepts and…

Databases · Computer Science 2024-11-18 Sydney Anuyah , Victor Bolade , Oluwatosin Agbaakin

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,…

Machine Learning · Computer Science 2026-05-08 Rahul Nandakumar , Deepayan Chakrabarti

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Background: Representing biological networks as graphs is a powerful approach to reveal underlying patterns, signatures, and critical components from high-throughput biomolecular data. However, graphs do not natively capture the multi-way…