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T cells monitor the health status of cells by identifying foreign peptides displayed on their surface. T-cell receptors (TCRs), which are protein complexes found on the surface of T cells, are able to bind to these peptides. This process is…

Quantitative Methods · Quantitative Biology 2023-03-07 Ziqi Chen , Martin Renqiang Min , Hongyu Guo , Chao Cheng , Trevor Clancy , Xia Ning

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Machine Learning · Computer Science 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these…

Compound-protein pairs dominate FDA-approved drug-target pairs and the prediction of compound-protein affinity and contact (CPAC) could help accelerate drug discovery. In this study we consider proteins as multi-modal data including 1D…

Biomolecules · Quantitative Biology 2020-12-02 Yuning You , Yang Shen

Recently exciting progress has been made on protein contact prediction, but the predicted contacts for proteins without many sequence homologs is still of low quality and not very useful for de novo structure prediction. This paper presents…

Biomolecules · Quantitative Biology 2017-01-10 Sheng Wang , Siqi Sun , Zhen Li , Renyu Zhang , Jinbo Xu

This study assesses the efficiency of several popular machine learning approaches in the prediction of molecular binding affinity: CatBoost, Graph Attention Neural Network, and Bidirectional Encoder Representations from Transformers. The…

Machine Learning · Computer Science 2020-12-16 Oleksandr Gurbych , Maksym Druchok , Dzvenymyra Yarish , Sofiya Garkot

CD8+ "killer" T cells and CD4+ "helper" T cells play a central role in the adaptive immune system by recognizing antigens presented by Major Histocompatibility Complex (pMHC) molecules via T Cell Receptors (TCRs). Modeling binding between T…

Computational Engineering, Finance, and Science · Computer Science 2026-03-09 Jiarui Li , Zixiang Yin , Haley Smith , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

Antibodies are a critical part of the immune system, having the function of directly neutralising or tagging undesirable objects (the antigens) for future destruction. Being able to predict which amino acids belong to the paratope, the…

Machine Learning · Statistics 2020-04-14 Andreea Deac , Petar Veličković , Pietro Sormanni

Computational prediction of the interaction of T cell receptors (TCRs) and their ligands is a grand challenge in immunology. Despite advances in high-throughput assays, specificity-labelled TCR data remains sparse. In other domains, the…

In silico drug-target interaction (DTI) prediction is an important and challenging problem in biomedical research with a huge potential benefit to the pharmaceutical industry and patients. Most existing methods for DTI prediction including…

Machine Learning · Computer Science 2019-08-22 Qingyuan Feng , Evgenia Dueva , Artem Cherkasov , Martin Ester

Motivation: In silico methods for the prediction of antigenic peptides binding to MHC class I molecules play an increasingly important role in the identification of T-cell epitopes. Statistical and machine learning methods, in particular,…

Quantitative Methods · Quantitative Biology 2007-05-23 Laurent Jacob , Jean-Philippe Vert

Predicting T-cell receptor (TCR)--peptide-MHC (pMHC) binding is central to vaccine design and T-cell therapy, yet deployed models frequently encounter epitopes unseen during training, causing silent overconfidence and unreliable…

Graphics · Computer Science 2026-04-16 Arman Bekov , Timur Bekzhanov , Bekzat Sadykov

The anti-cancer immune response relies on the bindings between T-cell receptors (TCRs) and antigens, which elicits adaptive immunity to eliminate tumor cells. This ability of the immune system to respond to novel various neoantigens arises…

Quantitative Methods · Quantitative Biology 2025-11-11 Xing Fang , Chenpeng Yu , Shiye Tian , Hui Liu

Spectrum sharing allows different protocols of the same standard (e.g., 802.11 family) or different standards (e.g., LTE and DVB) to coexist in overlapping frequency bands. As this paradigm continues to spread, wireless systems must also…

Survival prediction for esophageal squamous cell cancer (ESCC) is crucial for doctors to assess a patient's condition and tailor treatment plans. The application and development of multi-modal deep learning in this field have attracted…

Image and Video Processing · Electrical Eng. & Systems 2024-08-27 Chengyu Wu , Yatao Zhang , Yaqi Wang , Qifeng Wang , Shuai Wang

The ability to model intra-modal and inter-modal interactions is fundamental in multimodal machine learning. The current state-of-the-art models usually adopt deep learning models with fixed structures. They can achieve exceptional…

Computer Vision and Pattern Recognition · Computer Science 2023-06-27 Qingpei Guo , Kaisheng Yao , Wei Chu

Multimodal self-supervised pretraining offers a promising route to cancer prognosis by integrating histopathology whole-slide images, gene expression, and pathology reports, yet most existing approaches require fully paired and complete…

Machine Learning · Computer Science 2026-04-08 Kai Yu , Shuang Zhou , Yiran Song , Zaifu Zhan , Jie Peng , Kaixiong Zhou , Tianlong Chen , Feng Xie , Meng Wang , Huazhu Fu , Mingquan Lin , Rui Zhang

Cross-modality magnetic resonance (MR) image synthesis can be used to generate missing modalities from given ones. Existing (supervised learning) methods often require a large number of paired multi-modal data to train an effective…

Image and Video Processing · Electrical Eng. & Systems 2023-06-21 Yonghao Li , Tao Zhou , Kelei He , Yi Zhou , Dinggang Shen

Today, the acquisition of various behavioral log data has enabled deeper understanding of customer preferences and future behaviors in the marketing field. In particular, multimodal deep learning has achieved highly accurate predictions by…

Computational Engineering, Finance, and Science · Computer Science 2024-05-14 Junichiro Niimi

We propose cross-modal attentive connections, a new dynamic and effective technique for multimodal representation learning from wearable data. Our solution can be integrated into any stage of the pipeline, i.e., after any convolutional…

Machine Learning · Computer Science 2022-06-10 Anubhav Bhatti , Behnam Behinaein , Paul Hungler , Ali Etemad