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The microbiome constitutes a complex microbial ecology of interacting components that regulates important pathways in the host. Measurements of microbial abundances are key to learning the intricate network of interactions amongst microbes.…

Methodology · Statistics 2024-06-17 Veronica Vinciotti , Ernst Wit , Francisco Richter

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis

Retrieving gene functional networks from knowledge databases presents a challenge due to the mismatch between disease networks and subtype-specific variations. Current solutions, including statistical and deep learning methods, often fail…

Machine Learning · Computer Science 2025-02-25 Ziwei Yang , Zheng Chen , Xin Liu , Rikuto Kotoge , Peng Chen , Yasuko Matsubara , Yasushi Sakurai , Jimeng Sun

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Many previous studies aim to augment collaborative filtering with deep neural network techniques, so as to achieve better recommendation performance. However, most existing deep learning-based recommender systems are designed for modeling…

Information Retrieval · Computer Science 2022-03-29 Lianghao Xia , Chao Huang , Yong Xu , Peng Dai , Mengyin Lu , Liefeng Bo

Numerous industries have benefited from the use of machine learning and fashion in industry is no exception. By gaining a better understanding of what makes a good outfit, companies can provide useful product recommendations to their users.…

Computation and Language · Computer Science 2024-04-30 Samaksh Gulati

Effectively predicting molecular interactions has the potential to accelerate molecular dynamics by multiple orders of magnitude and thus revolutionize chemical simulations. Graph neural networks (GNNs) have recently shown great successes…

Computational Physics · Physics 2024-06-25 Johannes Gasteiger , Florian Becker , Stephan Günnemann

Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

Machine Learning · Statistics 2025-08-26 Michela Lapenna , Caterina De Bacco

Graph Neural Networks (GNNs) are important across different domains, such as social network analysis and recommendation systems, due to their ability to model complex relational data. This paper introduces subgraph queries as a new task for…

Machine Learning · Computer Science 2024-08-09 Erfaneh Mahmoudzadeh , Parmis Naddaf , Kiarash Zahirnia , Oliver Schulte

Graph-based Neural Networks (GNNs) are recent models created for learning representations of nodes (and graphs), which have achieved promising results when detecting patterns that occur in large-scale data relating different entities. Among…

Machine Learning · Computer Science 2021-08-20 Ronald D. R. Pereira , Fabrício Murai

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

Predicting the emergence of links in large evolving networks is a difficult task with many practical applications. Recently, the Science4cast competition has illustrated this challenge presenting a network of 64.000 AI concepts and asking…

Social and Information Networks · Computer Science 2022-01-26 Francisco Andrades , Ricardo Ñanculef

Learning graph representations of n-ary relational data has a number of real world applications like anti-money laundering, fraud detection, and customer due diligence. Contact tracing of COVID19 positive persons could also be posed as a…

Social and Information Networks · Computer Science 2020-09-01 Balaji Ganesan , Srinivas Parkala , Neeraj R Singh , Sumit Bhatia , Gayatri Mishra , Matheen Ahmed Pasha , Hima Patel , Somashekar Naganna

The prediction modeling of drug-target interactions is crucial to drug discovery and design, which has seen rapid advancements owing to deep learning technologies. Recently developed methods, such as those based on graph neural networks…

Quantitative Methods · Quantitative Biology 2025-11-19 Xinnan Zhang , Jialin Wu , Junyi Xie , Tianlong Chen , Kaixiong Zhou

This study focuses on the problem of user satisfaction classification and proposes a framework based on graph neural networks to address the limitations of traditional methods in handling complex interaction relationships and…

Human-Computer Interaction · Computer Science 2025-11-07 Rui Liu , Runsheng Zhang , Shixiao Wang

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Graph neural networks (GNNs) have gained prominence in recommendation systems in recent years. By representing the user-item matrix as a bipartite and undirected graph, GNNs have demonstrated their potential to capture short- and…

Information Retrieval · Computer Science 2023-11-29 Daniele Malitesta , Claudio Pomo , Tommaso Di Noia

Recommender system research has oftentimes focused on approaches that operate on large-scale datasets containing millions of user interactions. However, many small businesses struggle to apply state-of-the-art models due to their very…

Graph Neural Networks (GNNs) have emerged as powerful tools for modeling complex, interconnected data, making them particularly well suited for a wide range of Intelligent Transportation System (ITS) applications. This survey presents the…

Emerging Technologies · Computer Science 2025-11-19 Elham Binshaflout , Aymen Hamrouni , Hakim Ghazzai

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

Machine Learning · Computer Science 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang