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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

Molecular interaction networks are powerful resources for the discovery. They are increasingly used with machine learning methods to predict biologically meaningful interactions. While deep learning on graphs has dramatically advanced the…

Molecular Networks · Quantitative Biology 2020-12-10 Kexin Huang , Cao Xiao , Lucas Glass , Marinka Zitnik , Jimeng Sun

The person re-identification task requires to robustly estimate visual similarities between person images. However, existing person re-identification models mostly estimate the similarities of different image pairs of probe and gallery…

Computer Vision and Pattern Recognition · Computer Science 2018-07-27 Yantao Shen , Hongsheng Li , Shuai Yi , Dapeng Chen , Xiaogang Wang

Identifying cancer driver genes (CDGs) is essential for understanding cancer mechanisms and developing targeted therapies. Graph neural networks (GNNs) have recently been employed to identify CDGs by capturing patterns in biological…

Genomics · Quantitative Biology 2025-10-09 Bang Chen , Lijun Guo , Houli Fan , Wentao He , Rong Zhang

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Deep learning models have achieved huge success in numerous fields, such as computer vision and natural language processing. However, unlike such fields, it is hard to apply traditional deep learning models on the graph data due to the…

Machine Learning · Computer Science 2019-10-01 Lin Meng , Jiawei Zhang

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…

Machine Learning · Computer Science 2024-11-26 Hung-Chun Hsu , Bo-Jun Wu , Ming-Yi Hong , Che Lin , Chih-Yu Wang

Graph data, with its structurally variable nature, represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing…

Machine Learning · Computer Science 2025-02-05 Jianming Huang , Hiroyuki Kasai

The remarkable success of foundation models has sparked growing interest in their application to single-cell biology. Models like Geneformer and scGPT promise to serve as versatile tools in this specialized field. However, representing a…

Quantitative Methods · Quantitative Biology 2024-11-12 Jiabei Cheng , Jiachen Li , Kaiyuan Yang , Hongbin Shen , Ye Yuan

Graph Neural Networks (GNNs) have achieved promising performance in semi-supervised node classification in recent years. However, the problem of insufficient supervision, together with representation collapse, largely limits the performance…

Machine Learning · Computer Science 2025-03-07 Xihong Yang , Yiqi Wang , Yue Liu , Yi Wen , Lingyuan Meng , Sihang Zhou , Xinwang Liu , En Zhu

Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Machine Learning · Computer Science 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

Semi-supervised node classification on graphs is an important research problem, with many real-world applications in information retrieval such as content classification on a social network and query intent classification on an e-commerce…

Machine Learning · Computer Science 2022-03-29 Zhihao Wen , Yuan Fang , Zemin Liu

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN)…

Machine Learning · Computer Science 2023-04-04 Lu Bai , Yuhang Jiao , Luca Rossi , Lixin Cui , Jian Cheng , Edwin R. Hancock

Single-cell RNA sequencing (scRNA-seq) has made significant strides in unraveling the intricate cellular diversity within complex tissues. This is particularly critical in the brain, presenting a greater diversity of cell types than other…

Machine Learning · Computer Science 2023-10-05 Gyutaek Oh , Baekgyu Choi , Inkyung Jung , Jong Chul Ye

Cell clustering is crucial for uncovering cellular heterogeneity in single-cell RNA sequencing (scRNA-seq) data by identifying cell types and marker genes. Despite its importance, benchmarks for scRNA-seq clustering methods remain…

Genomics · Quantitative Biology 2025-12-03 Ping Xu , Zaitian Wang , Zhirui Wang , Pengjiang Li , Jiajia Wang , Ran Zhang , Pengfei Wang , Yuanchun Zhou

Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in…

Machine Learning · Computer Science 2025-03-04 Mufan Qiu , Xinyu Hu , Fengwei Zhan , Sukwon Yun , Jie Peng , Ruichen Zhang , Bhavya Kailkhura , Jiekun Yang , Tianlong Chen

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

We present Bi-Level Attention-Based Relational Graph Convolutional Networks (BR-GCN), unique neural network architectures that utilize masked self-attentional layers with relational graph convolutions, to effectively operate on highly…

Machine Learning · Computer Science 2024-04-16 Roshni G. Iyer , Wei Wang , Yizhou Sun