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AI-driven drug response prediction holds great promise for advancing personalized cancer treatment. However, the inherent heterogenity of cancer and high cost of data generation make accurate prediction challenging. In this study, we…

Machine Learning · Computer Science 2025-05-14 Till Rossner , Ziteng Li , Jonas Balke , Nikoo Salehfard , Tom Seifert , Ming Tang

Drug resistance presents a major challenge in cancer therapy. Single cell profiling offers insights into cellular heterogeneity, yet the application of large-scale foundation models for predicting drug response in single cell data remains…

Artificial Intelligence · Computer Science 2025-05-12 Qing Wang , Yining Pan , Minghao Zhou , Zijia Tang , Yanfei Wang , Guangyu Wang , Qianqian Song

The advancement of single-cell sequencing technology has promoted the generation of a large amount of single-cell transcriptional profiles, providing unprecedented opportunities to identify drug-resistant cell subpopulations within a tumor.…

Artificial Intelligence · Computer Science 2025-01-08 Hui Liu , Wei Duan , Judong Luo

Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective representation learning. These models focus exclusively on…

Machine Learning · Computer Science 2025-06-05 Yaorui Shi , Jiaqi Yang , Changhao Nai , Sihang Li , Junfeng Fang , Xiang Wang , Zhiyuan Liu , Yang Zhang

Single-cell RNA sequencing (scRNA-seq) technology provides high-throughput gene expression data to study the cellular heterogeneity and dynamics of complex organisms. Graph neural networks (GNNs) have been widely used for automatic cell…

Machine Learning · Computer Science 2023-12-19 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Dapeng Wu , Hongkai Xiong

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

Intercellular heterogeneity is a major obstacle to successful precision medicine. Single-cell RNA sequencing (scRNA-seq) technology has enabled in-depth analysis of intercellular heterogeneity in various diseases. However, its full…

Quantitative Methods · Quantitative Biology 2022-12-26 Bing He , Yao Xiao , Haodong Liang , Qianhui Huang , Yuheng Du , Yijun Li , David Garmire , Duxin Sun , Lana X. Garmire

This paper introduces the Single-Cell Perturbation Prediction Diffusion Model (scPPDM), the first diffusion-based framework for single-cell drug-response prediction from scRNA-seq data. scPPDM couples two condition channels,…

Quantitative Methods · Quantitative Biology 2025-10-15 Zhaokang Liang , Shuyang Zhuang , Xiaoran Jiao , Weian Mao , Hao Chen , Chunhua Shen

Single-Cell RNA sequencing (scRNA-seq) measurements have facilitated genome-scale transcriptomic profiling of individual cells, with the hope of deconvolving cellular dynamic changes in corresponding cell sub-populations to better…

Genomics · Quantitative Biology 2021-04-06 Seyednami Niyakan , Ehsan Hajiramezanali , Shahin Boluki , Siamak Zamani Dadaneh , Xiaoning Qian

Single-cell RNA sequencing (scRNA-seq) provides unprecedented insights into cellular heterogeneity, enabling detailed analysis of complex biological systems at single-cell resolution. However, the high dimensionality and technical noise…

Genomics · Quantitative Biology 2025-09-04 Hojjat Torabi Goudarzi , Maziyar Baran Pouyan

Single-cell RNA sequencing (scRNA-seq) data analysis is pivotal for understanding cellular heterogeneity. However, the high sparsity and complex noise patterns inherent in scRNA-seq data present significant challenges for traditional…

Genomics · Quantitative Biology 2024-08-13 Wenwen Min , Zhen Wang , Fangfang Zhu , Taosheng Xu , Shunfang Wang

Single-cell RNA sequencing (scRNA-seq) is essential for unraveling cellular heterogeneity and diversity, offering invaluable insights for bioinformatics advancements. Despite its potential, traditional clustering methods in scRNA-seq data…

Machine Learning · Computer Science 2025-10-01 Ping Xu , Zhiyuan Ning , Meng Xiao , Guihai Feng , Xin Li , Yuanchun Zhou , Pengfei Wang

This dissertation explores the application of machine learning in molecular biology, focusing on gene expression regulation and cellular behavior at the single-cell level. Using modern neural networks, the research addresses key challenges…

Quantitative Methods · Quantitative Biology 2024-10-01 Yongjian Yang

Motivation: Drug repurposing is a viable solution for reducing the time and cost associated with drug development. However, thus far, the proposed drug repurposing approaches still need to meet expectations. Therefore, it is crucial to…

Machine Learning · Computer Science 2024-05-21 Ali Gharizadeh , Karim Abbasi , Amin Ghareyazi , Mohammad R. K. Mofrad , Hamid R. Rabiee

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

Recent advancements in single-cell genomics necessitate precision in gene panel selection to interpret complex biological data effectively. Those methods aim to streamline the analysis of scRNA-seq data by focusing on the most informative…

Artificial Intelligence · Computer Science 2024-06-12 Weiliang Zhang , Zhen Meng , Dongjie Wang , Min Wu , Kunpeng Liu , Yuanchun Zhou , Meng Xiao

Understanding gene perturbation effects across diverse cellular contexts is a central challenge in functional genomics, with important implications for therapeutic discovery and precision medicine. Single-cell technologies enable…

Genomics · Quantitative Biology 2025-11-25 Abrar Rahman Abir , Sajib Acharjee Dip , Liqing Zhang

Phenotype-based screening has attracted much attention for identifying cell-active compounds. Transcriptional and proteomic profiles of cell population or single cells are informative phenotypic measures of cellular responses to…

Quantitative Methods · Quantitative Biology 2023-11-20 Wei Huang , Aichun Zhu , Hui Liu

Unsupervised cell type identification is crucial for uncovering and characterizing heterogeneous populations in single cell omics studies. Although a range of clustering methods have been developed, most focus exclusively on intrinsic…

Artificial Intelligence · Computer Science 2025-12-12 Liang Peng , Haopeng Liu , Yixuan Ye , Cheng Liu , Wenjun Shen , Si Wu , Hau-San Wong

Cancer cell lines have frequently been used to link drug sensitivity and resistance with genomic profiles. To capture genomic complexity in cancer, the Cancer Genome Project (CGP) (Garnett et al., 2012) screened 639 human tumor cell lines…

Applications · Statistics 2017-02-09 Hongmei Liu , J. Sunil Rao
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