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Predicting gene functions is a challenge for biologists in the post genomic era. Interactions among genes and their products compose networks that can be used to infer gene functions. Most previous studies adopt a linkage assumption, i.e.,…

Molecular Networks · Quantitative Biology 2022-04-25 Xin Li , Hsinchun Chen , Jiexun Li , Zhu Zhang

Graph Neural Networks (GNNs) have become the leading paradigm for learning on (static) graph-structured data. However, many real-world systems are dynamic in nature, since the graph and node/edge attributes change over time. In recent…

In this paper, we study using graph neural networks (GNNs) for \textit{multi-node representation learning}, where a representation for a set of more than one node (such as a link) is to be learned. Existing GNNs are mainly designed to learn…

Machine Learning · Computer Science 2025-03-11 Xiyuan Wang , Pan Li , Muhan Zhang

Recent work on Graph Neural Networks has demonstrated that self-supervised pretraining can further enhance performance on downstream graph, link, and node classification tasks. However, the efficacy of pretraining tasks has not been fully…

Machine Learning · Computer Science 2023-03-28 Jonathan Pilault , Michael Galkin , Bahare Fatemi , Perouz Taslakian , David Vasquez , Christopher Pal

Cold-start problem is a fundamental challenge for recommendation tasks. Despite the recent advances on Graph Neural Networks (GNNs) incorporate the high-order collaborative signal to alleviate the problem, the embeddings of the cold-start…

Information Retrieval · Computer Science 2020-12-15 Bowen Hao , Jing Zhang , Hongzhi Yin , Cuiping Li , Hong Chen

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

Graph neural networks (GNNs) have been demonstrated to be a powerful algorithmic model in broad application fields for their effectiveness in learning over graphs. To scale GNN training up for large-scale and ever-growing graphs, the most…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-30 Haiyang Lin , Mingyu Yan , Xiaochun Ye , Dongrui Fan , Shirui Pan , Wenguang Chen , Yuan Xie

Graph neural networks (GNNs) build on the success of deep learning models by extending them for use in graph spaces. Transfer learning has proven extremely successful for traditional deep learning problems: resulting in faster training and…

Machine Learning · Computer Science 2022-02-03 Nishai Kooverjee , Steven James , Terence van Zyl

Constructing transferable descriptors for conformation representation of molecular and biological systems finds numerous applications in drug discovery, learning-based molecular dynamics, and protein mechanism analysis. Geometric graph…

Machine Learning · Computer Science 2024-10-30 Zihan Pengmei , Zhengyuan Shen , Zichen Wang , Marcus Collins , Huzefa Rangwala

Graph learning models have demonstrated great prowess in learning expressive representations from large-scale graph data in a wide variety of real-world scenarios. As a prevalent strategy for training powerful graph learning models, the…

Machine Learning · Computer Science 2025-06-11 Xingbo Fu , Zehong Wang , Zihan Chen , Jiazheng Li , Yaochen Zhu , Zhenyu Lei , Cong Shen , Yanfang Ye , Chuxu Zhang , Jundong Li

Graph neural networks (GNNs) have been widely applied in the recommendation tasks and have obtained very appealing performance. However, most GNN-based recommendation methods suffer from the problem of data sparsity in practice. Meanwhile,…

Information Retrieval · Computer Science 2021-12-15 Yiqi Wang , Chaozhuo Li , Zheng Liu , Mingzheng Li , Jiliang Tang , Xing Xie , Lei Chen , Philip S. Yu

Graph Neural Networks (GNNs) are powerful tools in representation learning for graphs. However, recent studies show that GNNs are vulnerable to carefully-crafted perturbations, called adversarial attacks. Adversarial attacks can easily fool…

Machine Learning · Computer Science 2020-06-30 Wei Jin , Yao Ma , Xiaorui Liu , Xianfeng Tang , Suhang Wang , Jiliang Tang

Real data collected from different applications that have additional topological structures and connection information are amenable to be represented as a weighted graph. Considering the node labeling problem, Graph Neural Networks (GNNs)…

Social and Information Networks · Computer Science 2020-02-06 Xiaoxiao Li , Joao Saude

Subgraph representation learning based on Graph Neural Network (GNN) has exhibited broad applications in scientific advancements, such as predictions of molecular structure-property relationships and collective cellular function. In…

Machine Learning · Computer Science 2022-10-17 Yili Shen , Xiao Liu , Cheng-Wei Ju , Jiaxu Yan , Jun Yi , Zhou Lin , Hui Guan

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

Machine Learning · Computer Science 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Graph neural networks (GNNs) have extended the success of deep neural networks (DNNs) to non-Euclidean graph data, achieving ground-breaking performance on various tasks such as node classification and graph property prediction.…

Machine Learning · Computer Science 2021-12-17 Tianfeng Liu , Yangrui Chen , Dan Li , Chuan Wu , Yibo Zhu , Jun He , Yanghua Peng , Hongzheng Chen , Hongzhi Chen , Chuanxiong Guo

Graph neural networks (GNNs) are powerful graph-based machine-learning models that are popular in various domains, e.g., social media, transportation, and drug discovery. However, owing to complex data representations, GNNs do not easily…

Machine Learning · Computer Science 2024-05-14 Pantea Habibi , Peyman Baghershahi , Sourav Medya , Debaleena Chattopadhyay

In recent years, deep neural networks (DNNs) have known an important rise in popularity. However, although they are state-of-the-art in many machine learning challenges, they still suffer from several limitations. For example, DNNs require…

Machine Learning · Computer Science 2021-10-11 Carlos Lassance , Myriam Bontonou , Mounia Hamidouche , Bastien Pasdeloup , Lucas Drumetz , Vincent Gripon

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
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