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Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

Extracting stimulus features from neuronal ensembles is of great interest to the development of neuroprosthetics that project sensory information directly to the brain via electrical stimulation. Machine learning strategies that optimize…

Neurons and Cognition · Quantitative Biology 2020-09-08 Vivek Subramanian , Joshua Khani

Parkinson's Disease (PD) is one of the most prevalent neurodegenerative diseases that affects tens of millions of Americans. PD is highly progressive and heterogeneous. Quite a few studies have been conducted in recent years on predictive…

Computer Vision and Pattern Recognition · Computer Science 2019-05-08 Xi Sheryl Zhang , Lifang He , Kun Chen , Yuan Luo , Jiayu Zhou , Fei Wang

Anti-cancer drug sensitivity prediction using deep learning models for individual cell line is a significant challenge in personalized medicine. REFINED (REpresentation of Features as Images with NEighborhood Dependencies) CNN…

Machine Learning · Computer Science 2021-07-22 Omid Bazgir , Souparno Ghosh , Ranadip Pal

Graph neural networks (GNNs) have shown promise in integrating protein-protein interaction (PPI) networks for identifying cancer genes in recent studies. However, due to the insufficient modeling of the biological information in PPI…

Computational Engineering, Finance, and Science · Computer Science 2025-06-24 Yilong Zang , Lingfei Ren , Yue Li , Zhikang Wang , David Antony Selby , Zheng Wang , Sebastian Josef Vollmer , Hongzhi Yin , Jiangning Song , Junhang Wu

Admittedly, Graph Convolution Network (GCN) has achieved excellent results on graph datasets such as social networks, citation networks, etc. However, softmax used as the decision layer in these frameworks is generally optimized with…

Machine Learning · Computer Science 2022-07-19 Xuelong Li , Ziheng Jiao , Hongyuan Zhang , Rui Zhang

This study explores the use of graph neural networks (GNNs) with hierarchical pooling and multiple convolution layers for cancer classification based on RNA-seq data. We combine gene expression data from The Cancer Genome Atlas (TCGA) with…

Machine Learning · Computer Science 2026-01-13 Thomas Vaitses Fontanari , Mariana Recamonde-Mendoza

Motivation: Drug combination is a sensible strategy for disease treatment by improving the efficacy and reducing concomitant side effects. Due to the large number of possible combinations among candidate compounds, exhaustive screening is…

Quantitative Methods · Quantitative Biology 2020-02-26 Liang Yu , Mingfei Xia , Lin Gao

Multi-omics data is increasingly being utilized to advance computational methods for cancer classification. However, multi-omics data integration poses significant challenges due to the high dimensionality, data complexity, and distinct…

Genomics · Quantitative Biology 2024-10-10 Fadi Alharbi , Aleksandar Vakanski , Boyu Zhang , Murtada K. Elbashir , Mohanad Mohammed

We introduce Bi-GNN for modeling biological link prediction tasks such as drug-drug interaction (DDI) and protein-protein interaction (PPI). Taking drug-drug interaction as an example, existing methods using machine learning either only…

Computational Engineering, Finance, and Science · Computer Science 2020-06-26 Yunsheng Bai , Ken Gu , Yizhou Sun , Wei Wang

Accurately predicting drug-target interactions (DTIs) is pivotal for advancing drug discovery and target validation techniques. While machine learning approaches including those that are based on Graph Neural Networks (GNN) have achieved…

Machine Learning · Computer Science 2025-09-30 Yuehua Song , Yong Gao

Towards developing effective and efficient brain-computer interface (BCI) systems, precise decoding of brain activity measured by electroencephalogram (EEG), is highly demanded. Traditional works classify EEG signals without considering the…

Signal Processing · Electrical Eng. & Systems 2022-09-19 Yimin Hou , Shuyue Jia , Xiangmin Lun , Ziqian Hao , Yan Shi , Yang Li , Rui Zeng , Jinglei Lv

Geometric deep learning has demonstrated a great potential in non-Euclidean data analysis. The incorporation of geometric insights into learning architecture is vital to its success. Here we propose a curvature-enhanced graph convolutional…

Quantitative Methods · Quantitative Biology 2023-06-27 Cong Shen , Pingjian Ding , Junjie Wee , Jialin Bi , Jiawei Luo , Kelin Xia

Graph neural networks (GNN) extends deep learning to graph-structure dataset. Similar to Convolutional Neural Networks (CNN) using on image prediction, convolutional and pooling layers are the foundation to success for GNN on graph…

Machine Learning · Computer Science 2023-02-28 Lingjie Kong , Yun Liao

Latent representations of drugs and their targets produced by contemporary graph autoencoder models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and target-target…

Machine Learning · Computer Science 2023-02-20 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Latent representations of drugs and their targets produced by contemporary graph autoencoder-based models have proved useful in predicting many types of node-pair interactions on large networks, including drug-drug, drug-target, and…

Biomolecules · Quantitative Biology 2022-11-01 Nhat Khang Ngo , Truong Son Hy , Risi Kondor

Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…

Neurons and Cognition · Quantitative Biology 2023-12-21 Dominik Klepl , Fei He , Min Wu , Daniel J. Blackburn , Ptolemaios G. Sarrigiannis

Convolutional Neural Network (CNN) has demonstrated impressive ability to represent hyperspectral images and to achieve promising results in hyperspectral image classification. However, traditional CNN models can only operate convolution on…

Image and Video Processing · Electrical Eng. & Systems 2019-05-16 Sheng Wan , Chen Gong , Ping Zhong , Bo Du , Lefei Zhang , Jian Yang

The information diffusion performance of GCN and its variant models is limited by the adjacency matrix, which can lower their performance. Therefore, we introduce a new framework for graph convolutional networks called Hybrid…

Machine Learning · Computer Science 2023-04-03 Zhi Yang , Kang Li , Haitao Gan , Zhongwei Huang , Ming Shi

In structure-based drug design, accurately estimating the binding affinity between a candidate ligand and its protein receptor is a central challenge. Recent advances in artificial intelligence, particularly deep learning, have demonstrated…

Biomolecules · Quantitative Biology 2025-09-18 Md Masud Rana , Farjana Tasnim Mukta , Duc D. Nguyen
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