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T cell receptor (TCR) recognition of peptide-MHC (pMHC) complexes is fundamental to adaptive immunity and central to the development of T cell-based immunotherapies. While transformer-based models have shown promise in predicting TCR-pMHC…

Computational Engineering, Finance, and Science · Computer Science 2025-09-23 Jiarui Li , Zixiang Yin , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

T cell receptor (TCR) recognition of peptide-MHC (pMHC) complexes is a central component of adaptive immunity, with implications for vaccine design, cancer immunotherapy, and autoimmune disease. While recent advances in machine learning…

Quantitative Methods · Quantitative Biology 2026-03-09 Jiarui Li , Zixiang Yin , Zhengming Ding , Samuel J. Landry , Ramgopal R. Mettu

It has been verified that only a small fraction of the neoantigens presented by MHC class I molecules on the cell surface can elicit T cells. The limitation can be attributed to the binding specificity of T cell receptor (TCR) to…

Quantitative Methods · Quantitative Biology 2022-06-24 Yiming Fang , Xuejun Liu , Hui Liu

The immune checkpoint inhibitors have demonstrated promising clinical efficacy across various tumor types, yet the percentage of patients who benefit from them remains low. The bindings between tumor antigens and HLA-I/TCR molecules…

Biomolecules · Quantitative Biology 2025-01-13 Chenpeng Yu , Xing Fang , Hui Liu

T-cells play a key role in adaptive immunity by mounting specific responses against diverse pathogens. An effective binding between T-cell receptors (TCRs) and pathogen-derived peptides presented on Major Histocompatibility Complexes (MHCs)…

Quantitative Methods · Quantitative Biology 2025-09-05 Gian Marco Visani , Michael N. Pun , Anastasia A. Minervina , Philip Bradley , Paul Thomas , Armita Nourmohammad

An accurate binding affinity prediction between T-cell receptors and epitopes contributes decisively to develop successful immunotherapy strategies. Some state-of-the-art computational methods implement deep learning techniques by…

Machine Learning · Computer Science 2024-01-18 Etienne Goffinet , Raghvendra Mall , Ankita Singh , Rahul Kaushik , Filippo Castiglione

The complex nature of tripartite peptide-MHC-TCR interactions is a critical yet underexplored area in immunogenicity prediction. Traditional studies on TCR-antigen binding have not fully addressed the complex dependencies in triad binding.…

Biomolecules · Quantitative Biology 2025-01-06 Jiahao Ma , Hongzong Li , Jian-Dong Huang , Ye-Fan Hu , Yifan Chen

The T cell arm of the adaptive immune system provides the host protection against unknown pathogens by discriminating between host and foreign material. This discriminatory capability is achieved by the creation of a repertoire of cells…

Biological Physics · Physics 2022-01-03 Kevin Ng Chau , Jason T. George , José N. Onuchic , Xingcheng Lin , Herbert Levine

Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts have been made to model the effect of drug response on…

Machine Learning · Computer Science 2022-07-12 Jie Gao , Jing Hu , Wanqing Sun , Yili Shen , Xiaonan Zhang , Xiaomin Fang , Fan Wang , Guodong Zhao

Understanding the binding specificity between T-cell receptors (TCRs) and peptide-major histocompatibility complexes (pMHCs) is central to immunotherapy and vaccine development. However, current predictive models struggle with…

Quantitative Methods · Quantitative Biology 2025-12-29 Cong Qi , Hanzhang Fang , Siqi jiang , Tianxing Hu , Zhi Wei

The attention mechanism lies at the core of the transformer architecture, providing an interpretable model-internal signal that has motivated a growing interest in attention-based model explanations. Although attention weights do not…

Machine Learning · Computer Science 2025-08-13 Marte Eggen , Jacob Lysnæs-Larsen , Inga Strümke

We propose a simple, intuitive yet powerful method for human-object interaction (HOI) detection. HOIs are so diverse in spatial distribution in an image that existing CNN-based methods face the following three major drawbacks; they cannot…

Computer Vision and Pattern Recognition · Computer Science 2021-03-10 Masato Tamura , Hiroki Ohashi , Tomoaki Yoshinaga

Time-to-event prediction, e.g. cancer survival analysis or hospital length of stay, is a highly prominent machine learning task in medical and healthcare applications. However, only a few interpretable machine learning methods comply with…

Computer Vision and Pattern Recognition · Computer Science 2024-11-25 Hubert Baniecki , Bartlomiej Sobieski , Patryk Szatkowski , Przemyslaw Bombinski , Przemyslaw Biecek

Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data…

Machine Learning · Computer Science 2025-08-05 Laziz Abdullaev , Tan M. Nguyen

The Transformer architecture aggregates input information through the self-attention mechanism, but there is no clear understanding of how this information is mixed across the entire model. Additionally, recent works have demonstrated that…

Computation and Language · Computer Science 2022-10-25 Javier Ferrando , Gerard I. Gállego , Marta R. Costa-jussà

T cells are a critical component of the adaptive immune system, playing a role in infectious disease, autoimmunity, and cancer. T cell function is mediated by the T cell receptor (TCR) protein, a highly diverse receptor targeting specific…

Machine Learning · Computer Science 2026-03-31 Marco Garcia Noceda , Matthew T Noakes , Andrew FigPope , Daniel E Mattox , Bryan Howie , Harlan Robins

Triple-negative breast cancer (TNBC) remains a major clinical challenge due to its aggressive behavior and lack of targeted therapies. Accurate early prediction of response to neoadjuvant chemotherapy (NACT) is essential for guiding…

Quantitative Methods · Quantitative Biology 2025-07-29 Hikmat Khan , Ziyu Su , Huina Zhang , Yihong Wang , Bohan Ning , Shi Wei , Hua Guo , Zaibo Li , Muhammad Khalid Khan Niazi

Cross-attention is a core mechanism in encoder-decoder architectures, widespread in many fields, including speech-to-text (S2T) processing. Its scores have been repurposed for various downstream applications--such as timestamp estimation…

Computation and Language · Computer Science 2025-09-23 Sara Papi , Dennis Fucci , Marco Gaido , Matteo Negri , Luisa Bentivogli

Recent advancements in immune sequencing and experimental techniques are generating extensive T cell receptor (TCR) repertoire data, enabling the development of models to predict TCR binding specificity. Despite the computational challenges…

Quantitative Methods · Quantitative Biology 2024-07-24 Anna Weber , Aurélien Pélissier , María Rodríguez Martínez

Hypervariable T-cell receptors (TCR) play a key role in adaptive immunity, recognising a vast diversity of pathogen-derived antigens. High throughput sequencing of TCR repertoires (RepSeq) produces huge datasets of T-cell receptor sequences…

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