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Generative learning has advanced network neuroscience, enabling tasks like graph super-resolution, temporal graph prediction, and multimodal brain graph fusion. However, current methods, mainly based on graph neural networks (GNNs), focus…

Machine Learning · Computer Science 2025-09-16 Mayssa Soussia , Yijun Lin , Mohamed Ali Mahjoub , Islem Rekik

Graph Neural Networks (GNNs) have become powerful tools in modeling graph-structured data in recommender systems. However, real-life recommendation scenarios usually involve heterogeneous relationships (e.g., social-aware user influence,…

Information Retrieval · Computer Science 2023-03-03 Mengru Chen , Chao Huang , Lianghao Xia , Wei Wei , Yong Xu , Ronghua Luo

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them…

Machine Learning · Computer Science 2020-03-04 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Yizhou Sun

Link prediction is a classical problem in graph analysis with many practical applications. For directed graphs, recently developed deep learning approaches typically analyze node similarities through contrastive learning and aggregate…

Machine Learning · Computer Science 2025-06-26 Yuyang Zhang , Xu Shen , Yu Xie , Ka-Chun Wong , Weidun Xie , Chengbin Peng

A large number of real-world graphs or networks are inherently heterogeneous, involving a diversity of node types and relation types. Heterogeneous graph embedding is to embed rich structural and semantic information of a heterogeneous…

Social and Information Networks · Computer Science 2020-04-01 Xinyu Fu , Jiani Zhang , Ziqiao Meng , Irwin King

Deep learning models often struggle to maintain generalizability in medical imaging, particularly under domain-fracture scenarios where distribution shifts arise from varying imaging techniques, acquisition protocols, patient populations,…

Machine Learning · Computer Science 2025-08-15 Furkan Pala , Islem Rekik

Pre-training Graph Neural Networks (GNN) via self-supervised contrastive learning has recently drawn lots of attention. However, most existing works focus on node-level contrastive learning, which cannot capture global graph structure. The…

Machine Learning · Computer Science 2021-04-19 Shichang Zhang , Ziniu Hu , Arjun Subramonian , Yizhou Sun

Predicting signed interactions in biological networks is crucial for understanding drug mechanisms and facilitating drug repurposing. While deep graph models have demonstrated success in modeling complex biological systems, existing…

Machine Learning · Computer Science 2025-03-19 Shuyi Jin , Mengji Zhang , Meijie Wang , Lun Yu

In the field of image-based drug discovery, capturing the phenotypic response of cells to various drug treatments and perturbations is a crucial step. However, existing methods require computationally extensive and complex multi-step…

Machine Learning · Computer Science 2025-02-28 Bo Li , Bob Zhang , Chengyang Zhang , Minghao Zhou , Weiliang Huang , Shihang Wang , Qing Wang , Mengran Li , Yong Zhang , Qianqian Song

Various graph contrastive learning models have been proposed to improve the performance of learning tasks on graph datasets in recent years. While effective and prevalent, these models are usually carefully customized. In particular,…

Machine Learning · Computer Science 2021-11-01 Dongkuan Xu , Wei Cheng , Dongsheng Luo , Haifeng Chen , Xiang Zhang

Omics data analysis is crucial for studying complex diseases, but its high dimensionality and heterogeneity challenge classical statistical and machine learning methods. Graph neural networks have emerged as promising alternatives, yet the…

Graph similarity search is among the most important graph-based applications, e.g. finding the chemical compounds that are most similar to a query compound. Graph similarity computation, such as Graph Edit Distance (GED) and Maximum Common…

Machine Learning · Computer Science 2020-03-03 Yunsheng Bai , Hao Ding , Song Bian , Ting Chen , Yizhou Sun , Wei Wang

Program similarity is a fundamental concept, central to the solution of software engineering tasks such as software plagiarism, clone identification, code refactoring and code search. Accurate similarity estimation between programs requires…

Machine Learning · Computer Science 2020-07-31 Aravind Nair , Avijit Roy , Karl Meinke

Medical image interpretation using deep learning has shown promise but often requires extensive expert-annotated datasets. To reduce this annotation burden, we develop an Image-Graph Contrastive Learning framework that pairs chest X-rays…

Image and Video Processing · Electrical Eng. & Systems 2024-05-17 Sameer Khanna , Daniel Michael , Marinka Zitnik , Pranav Rajpurkar

Imbalanced classification on graphs is ubiquitous yet challenging in many real-world applications, such as fraudulent node detection. Recently, graph neural networks (GNNs) have shown promising performance on many network analysis tasks.…

Machine Learning · Computer Science 2021-06-08 Liang Qu , Huaisheng Zhu , Ruiqi Zheng , Yuhui Shi , Hongzhi Yin

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

The use of networks to integrate different genetic, proteomic, and metabolic datasets has been proposed as a viable path toward elucidating the origins of specific diseases. Here we introduce a new phenotypic database summarizing…

Biological Physics · Physics 2015-05-14 Cesar A. Hidalgo , Nicholas Blumm , Albert-Laszlo Barabasi , Nicholas Christakis

We present GNN-Suite, a robust modular framework for constructing and benchmarking Graph Neural Network (GNN) architectures in computational biology. GNN-Suite standardises experimentation and reproducibility using the Nextflow workflow to…

Machine Learning · Computer Science 2025-05-19 Sebestyén Kamp , Giovanni Stracquadanio , T. Ian Simpson

Functional connectivity (FC) studies have demonstrated the overarching value of studying the brain and its disorders through the undirected weighted graph of fMRI correlation matrix. Most of the work with the FC, however, depends on the way…

Neurons and Cognition · Quantitative Biology 2021-12-09 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

Graph contrastive learning defines a contrastive task to pull similar instances close and push dissimilar instances away. It learns discriminative node embeddings without supervised labels, which has aroused increasing attention in the past…

Machine Learning · Computer Science 2023-04-25 Lin Shu , Chuan Chen , Zibin Zheng