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Reconstruction of gene regulatory networks is the process of identifying gene dependency from gene expression profile through some computation techniques. In our human body, though all cells pose similar genetic material but the activation…

The abundance of large and heterogeneous systems is rendering contemporary data more pervasive, intricate, and with a non-regular structure. With classical techniques facing troubles to deal with the irregular (non-Euclidean) domain where…

Signal Processing · Electrical Eng. & Systems 2023-12-25 Samuel Rey

Gene Regulatory Networks (GRNs) are intricate biological systems that control gene expression and regulation in response to environmental and developmental cues. Advances in computational biology, coupled with high throughput sequencing…

Machine Learning · Computer Science 2025-04-18 Akshata Hegde , Tom Nguyen , Jianlin Cheng

Geometric deep learning provides a principled and versatile manner for the integration of imaging and non-imaging modalities in the medical domain. Graph Convolutional Networks (GCNs) in particular have been explored on a wide variety of…

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

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

Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early…

Machine Learning · Computer Science 2019-07-15 Vikash Singh , Pietro Lio'

Gene expression-based heterogeneity analysis has been extensively conducted. In recent studies, it has been shown that network-based analysis, which takes a system perspective and accommodates the interconnections among genes, can be more…

Methodology · Statistics 2023-08-09 Rong Li , Qingzhao Zhang , Shuangge Ma

Modern high-throughput gene perturbation screens are key technologies at the forefront of genetic research. Combined with rich phenotypic descriptors they enable researchers to observe detailed cellular reactions to experimental…

Molecular Networks · Quantitative Biology 2010-10-08 Florian Markowetz

The human brain is the central hub of the neurobiological system, controlling behavior and cognition in complex ways. Recent advances in neuroscience and neuroimaging analysis have shown a growing interest in the interactions between brain…

Neurons and Cognition · Quantitative Biology 2023-05-25 Yi Yang , Hejie Cui , Carl Yang

There is a growing interest in designing Graph Neural Networks (GNNs) for seeded graph matching, which aims to match two unlabeled graphs using only topological information and a small set of seed nodes. However, most previous GNNs for this…

Machine Learning · Computer Science 2023-07-11 Liren Yu , Jiaming Xu , Xiaojun Lin

Factors such as the proliferation of renewable energy and electrification contribute to grid congestion as a pressing problem. Topology control is an appealing method for relieving congestion, but traditional approaches for topology…

Machine Learning · Computer Science 2025-10-06 Matthijs de Jong , Jan Viebahn , Yuliya Shapovalova

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

Heterogeneous Graph Neural Network (HGNN) has been successfully employed in various tasks, but we cannot accurately know the importance of different design dimensions of HGNNs due to diverse architectures and applied scenarios. Besides, in…

Machine Learning · Computer Science 2022-05-16 Tianyu Zhao , Cheng Yang , Yibo Li , Quan Gan , Zhenyi Wang , Fengqi Liang , Huan Zhao , Yingxia Shao , Xiao Wang , Chuan Shi

Heterogeneous Graph Neural Networks(HGNNs) have advanced mainly through better encoders, yet their decoding/projection stage still relies on a single shared linear head, assuming it can map rich node embeddings to labels. We call this the…

Machine Learning · Computer Science 2026-01-12 Wei Zhou , Hong Huang , Ruize Shi , Bang Liu

How to obtain informative representations of molecules is a crucial prerequisite in AI-driven drug design and discovery. Recent researches abstract molecules as graphs and employ Graph Neural Networks (GNNs) for molecular representation…

Biomolecules · Quantitative Biology 2020-10-30 Yu Rong , Yatao Bian , Tingyang Xu , Weiyang Xie , Ying Wei , Wenbing Huang , Junzhou Huang

Delays in protein synthesis cause a confounding effect when constructing Gene Regulatory Networks (GRNs) from RNA-sequencing time-series data. Accurate GRNs can be very insightful when modelling development, disease pathways, and drug…

Molecular Networks · Quantitative Biology 2020-10-07 Jacob Moss , Pietro Lió

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

As powerful tools for representation learning on graphs, graph neural networks (GNNs) have facilitated various applications from drug discovery to recommender systems. Nevertheless, the effectiveness of GNNs is immensely challenged by…

Machine Learning · Computer Science 2023-02-28 Wei Jin , Tong Zhao , Jiayuan Ding , Yozen Liu , Jiliang Tang , Neil Shah