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Scalable addressing of high dimensional constrained combinatorial optimization problems is a challenge that arises in several science and engineering disciplines. Recent work introduced novel application of graph neural networks for solving…

Optimization and Control · Mathematics 2024-05-20 Nasimeh Heydaribeni , Xinrui Zhan , Ruisi Zhang , Tina Eliassi-Rad , Farinaz Koushanfar

The pre-training and fine-tuning methods have gained widespread attention in the field of heterogeneous graph neural networks due to their ability to leverage large amounts of unlabeled data during the pre-training phase, allowing the model…

Machine Learning · Computer Science 2025-07-11 Pengfei Jiao , Jialong Ni , Di Jin , Xuan Guo , Huan Liu , Hongjiang Chen , Yanxian Bi

Routine clinical visits of a patient produce not only image data, but also non-image data containing clinical information regarding the patient, i.e., medical data is multi-modal in nature. Such heterogeneous modalities offer different and…

Computer Vision and Pattern Recognition · Computer Science 2023-03-16 Sein Kim , Namkyeong Lee , Junseok Lee , Dongmin Hyun , Chanyoung Park

Gene expression datasets offer insights into gene regulation mechanisms, biochemical pathways, and cellular functions. Additionally, comparing gene expression profiles between disease and control patients can deepen the understanding of…

Machine Learning · Computer Science 2025-03-27 Rita T. Sousa , Heiko Paulheim

Knowledge graphs (KGs) are powerful tools for modelling complex, multi-relational data and supporting hypothesis generation, particularly in applications like drug repurposing. However, for predictive methods to gain acceptance as credible…

Artificial Intelligence · Computer Science 2026-02-06 Susana Nunes , Samy Badreddine , Catia Pesquita

Heterogeneous graph convolutional networks have gained great popularity in tackling various network analytical tasks on heterogeneous network data, ranging from link prediction to node classification. However, most existing works ignore the…

Social and Information Networks · Computer Science 2022-08-15 Pengyang Yu , Chaofan Fu , Yanwei Yu , Chao Huang , Zhongying Zhao , Junyu Dong

The rise of single-cell sequencing technologies has revolutionized the exploration of drug resistance, revealing the crucial role of cellular heterogeneity in advancing precision medicine. By building computational models from existing…

Genomics · Quantitative Biology 2025-02-05 Yu-An Huang , Xiyue Cao , Zhu-Hong You , Yue-Chao Li , Xuequn Shang , Zhi-An Huang

Graphs have emerged as a natural choice to represent and analyze the intricate patterns and rich information of the Web, enabling applications such as online page classification and social recommendation. The prevailing "pre-train,…

Machine Learning · Computer Science 2025-02-06 Yihong Ma , Ning Yan , Jiayu Li , Masood Mortazavi , Nitesh V. Chawla

For translational impact, both accurate drug response prediction and biological plausibility of predictive features are needed. We present drGT, a heterogeneous graph deep learning model over drugs, genes, and cell lines that couples…

Machine Learning · Computer Science 2026-03-18 Yoshitaka Inoue , Hunmin Lee , Tianfan Fu , Rui Kuang , Augustin Luna

Predicting drug side-effects before they occur is a key task in keeping the number of drug-related hospitalizations low and to improve drug discovery processes. Automatic predictors of side-effects generally are not able to process the…

Machine Learning · Statistics 2022-12-01 Pietro Bongini , Elisa Messori , Niccolò Pancino , Monica Bianchini

Background and Objective: Heterogeneous complex networks are large graphs consisting of different types of nodes and edges. The knowledge extraction from these networks is complicated. Moreover, the scale of these networks is steadily…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-23 Erfan Farhangi Maleki , Nasser Ghadiri , Maryam Lotfi Shahreza , Zeinab Maleki

Heterogeneous graph neural networks (HGNNs) have emerged as powerful algorithms for processing heterogeneous graphs (HetGs), widely used in many critical fields. To capture both structural and semantic information in HetGs, HGNNs first…

Hardware Architecture · Computer Science 2024-04-29 Runzhen Xue , Dengke Han , Mingyu Yan , Mo Zou , Xiaocheng Yang , Duo Wang , Wenming Li , Zhimin Tang , John Kim , Xiaochun Ye , Dongrui Fan

Drug discovery requires a tremendous amount of time and cost. Computational drug-target interaction prediction, a significant part of this process, can reduce these requirements by narrowing the search space for wet lab experiments. In this…

Biomolecules · Quantitative Biology 2025-05-27 Mohammad Molaee , Nasrollah Moghadam Charkari , Foad Ghaderi

Heterogeneous graph neural networks (HGNNs) have attracted increasing research interest in recent three years. Most existing HGNNs fall into two classes. One class is meta-path-based HGNNs which either require domain knowledge to handcraft…

Machine Learning · Computer Science 2022-09-02 Nan Wu , Chaofan Wang

With the rapid development of biomedical software and hardware, a large amount of relational data interlinking genes, proteins, chemical components, drugs, diseases, and symptoms has been collected for modern biomedical research. Many…

Artificial Intelligence · Computer Science 2021-01-21 Yankai Chen , Yaozu Wu , Shicheng Ma , Irwin King

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 paper utilizes the graph embeddings generated for entities of a large biomedical database to perform link prediction to capture various new relationships among different entities. A novel node similarity measure is proposed that…

Information Retrieval · Computer Science 2021-11-01 Prakhar Gurawa , Matthias Nickles

Multi-disease diagnosis using multi-modal data like electronic health records and medical imaging is a critical clinical task. Although existing deep learning methods have achieved initial success in this area, a significant gap persists…

Multimedia · Computer Science 2025-09-22 Yueheng Jiang , Peng Zhang

Drug-target interaction (DTI) prediction is a core task in drug development and precision medicine in the biomedical field. However, traditional machine learning methods generally have the black box problem, which makes it difficult to…

Quantitative Methods · Quantitative Biology 2025-04-30 Wenfeng Dai , Yanhong Wang , Shuai Yan , Qingzhi Yu , Xiang Cheng

Computational methods in drug repositioning can help to conserve resources. In particular, methods based on biological networks are showing promise. Considering only the network topology and knowledge on drug target genes is not sufficient…

Molecular Networks · Quantitative Biology 2025-04-02 Atte Aalto , La Mi , Diego A. Blanco-Mora , Jorge Goncalves