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Modern scientific discovery faces growing challenges in integrating vast and heterogeneous knowledge critical to breakthroughs in biomedicine and drug development. Traditional hypothesis-driven research, though effective, is constrained by…

Human-Computer Interaction · Computer Science 2025-07-24 Haoran Jiang , Shaohan Shi , Yunjie Yao , Chang Jiang , Quan Li

We propose a novel solution to addressing a long-standing dilemma in the representation learning of graph neural networks (GNNs): how to effectively capture and represent useful information embedded in long-distance nodes to improve the…

Machine Learning · Computer Science 2022-02-17 Ailing Zeng , Minhao Liu , Zhiwei Liu , Ruiyuan Gao , Jing Qin , Qiang Xu

Effective and efficient graph representation learning is essential for enabling critical downstream tasks, such as node classification, link prediction, and subgraph search. However, existing graph neural network (GNN) architectures often…

Machine Learning · Computer Science 2025-09-24 Sixuan Wang , Jiao Yin , Jinli Cao , MingJian Tang , Hua Wang , Yanchun Zhang

Background: Computational drug repurposing is a cost- and time-efficient approach that aims to identify new therapeutic targets or diseases (indications) of existing drugs/compounds. It is especially critical for emerging and/or orphan…

Quantitative Methods · Quantitative Biology 2023-04-26 Chunyu Ma , Zhihan Zhou , Han Liu , David Koslicki

Link prediction is a fundamental problem in graph data analysis. While most of the literature focuses on transductive link prediction that requires all the graph nodes and majority of links in training, inductive link prediction, which only…

Machine Learning · Computer Science 2021-10-01 Huidong Liang , Junbin Gao

Graph Neural Networks (GNNs) have achieved remarkable success in various applications, but their performance can be sensitive to specific data properties of the graph datasets they operate on. Current literature on understanding the…

Machine Learning · Computer Science 2023-10-31 Ting Wei Li , Qiaozhu Mei , Jiaqi Ma

Nutritional interventions are important for managing chronic health conditions, but current computational methods provide limited support for personalized dietary guidance. We identify three key gaps: (1) dietary pattern studies often…

Computation and Language · Computer Science 2026-01-27 Jiatan Huang , Zheyuan Zhang , Tianyi Ma , Mingchen Li , Yaning Zheng , Yanfang Ye , Chuxu Zhang

The task of data integration for multi-omics data has emerged as a powerful strategy to unravel the complex biological underpinnings of cancer. Recent advancements in graph neural networks (GNNs) offer an effective framework to model…

Machine Learning · Computer Science 2025-06-24 Payam Zohari , Mostafa Haghir Chehreghani

Network-based computational approaches to predict unknown genes associated with certain diseases are of considerable significance for uncovering the molecular basis of human diseases. In this paper, we proposed a kind of new…

Molecular Networks · Quantitative Biology 2018-11-14 Ke Hu , Jing-Bo Hu , Ju Xiang , Hui-Jia Li , Yan Zhang , Shi Chen , Chen-He Yi

This paper presents a novel approach to credit risk prediction by employing Graph Convolutional Neural Networks (GCNNs) to assess the creditworthiness of borrowers. Leveraging the power of big data and artificial intelligence, the proposed…

Machine Learning · Computer Science 2024-10-08 Mengfang Sun , Wenying Sun , Ying Sun , Shaobo Liu , Mohan Jiang , Zhen Xu

Link prediction is a pivotal task in graph mining with wide-ranging applications in social networks, recommendation systems, and knowledge graph completion. However, many leading Graph Neural Network (GNN) models often neglect the valuable…

Social and Information Networks · Computer Science 2025-11-11 Ankit Mazumder , Srikanta Bedathur

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

The structural properties of naturally arising social graphs are extensively studied to understand their evolution. Prior approaches for modeling network dynamics typically rely on rule-based models, which lack realism and generalizability,…

Computation and Language · Computer Science 2025-01-07 Jiarui Ji , Runlin Lei , Jialing Bi , Zhewei Wei , Xu Chen , Yankai Lin , Xuchen Pan , Yaliang Li , Bolin Ding

Identifying critical nodes and links in graphs is a crucial task. These nodes/links typically represent critical elements/communication links that play a key role in a system's performance. However, a majority of the methods available in…

Social and Information Networks · Computer Science 2022-05-31 Sai Munikoti , Laya Das , Balasubramaniam Natarajan

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

Machine Learning · Computer Science 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Graph embedding learning that aims to automatically learn low-dimensional node representations, has drawn increasing attention in recent years. To date, most recent graph embedding methods are evaluated on social and information networks…

We propose a novel graph-driven generative model, that unifies multiple heterogeneous learning tasks into the same framework. The proposed model is based on the fact that heterogeneous learning tasks, which correspond to different…

Machine Learning · Computer Science 2019-11-21 Wenlin Wang , Hongteng Xu , Zhe Gan , Bai Li , Guoyin Wang , Liqun Chen , Qian Yang , Wenqi Wang , Lawrence Carin

The advent of Graph Neural Networks (GNNs) has revolutionized the field of machine learning, offering a novel paradigm for learning on graph-structured data. Unlike traditional neural networks, GNNs are capable of capturing complex…

Hardware Architecture · Computer Science 2024-06-26 Kaustubh Shivdikar

Recent progress in deep learning is revolutionizing the healthcare domain including providing solutions to medication recommendations, especially recommending medication combination for patients with complex health conditions. Existing…

Artificial Intelligence · Computer Science 2019-03-08 Junyuan Shang , Cao Xiao , Tengfei Ma , Hongyan Li , Jimeng Sun

Elucidating the genetic basis of human diseases is a central goal of genetics and molecular biology. While traditional linkage analysis and modern high-throughput techniques often provide long lists of tens or hundreds of disease gene…

Quantitative Methods · Quantitative Biology 2011-06-03 Fantine Mordelet , Jean-Philippe Vert