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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

Neural models for TCR-pMHC binding prediction are susceptible to shortcut learning: they exploit spurious correlations in training data -- such as peptide length bias or V-gene co-occurrence -- rather than the physical binding interface.…

Machine Learning · Computer Science 2026-04-16 Sanjar Khudoyberdiev , Arman Bekov

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

Understanding the confidence with which a machine learning model classifies an input datum is an important, and perhaps under-investigated, concept. In this paper, we propose a new calibration metric, the Entropic Calibration Difference…

Machine Learning · Computer Science 2025-02-21 Daniel James Sumler , Lee Devlin , Simon Maskell , Richard O. Lane

T cell receptors (TCRs) are critical components of adaptive immune systems, responsible for responding to threats by recognizing epitope sequences presented on host cell surface. Computational prediction of binding affinity between TCRs and…

Quantitative Methods · Quantitative Biology 2023-10-31 Pengfei Zhang , Seojin Bang , Heewook Lee

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

Language model outputs are not always reliable, thus prompting research into how to adapt model responses based on uncertainty. Common approaches include: \emph{abstention}, where models refrain from generating responses when uncertain; and…

Computation and Language · Computer Science 2025-08-13 Zhengping Jiang , Anqi Liu , Benjamin Van Durme

Safety-critical perception systems require both reliable uncertainty quantification and principled abstention mechanisms to maintain safety under diverse operational conditions. We present a novel dual-threshold conformalization framework…

Robotics · Computer Science 2025-09-23 Divake Kumar , Nastaran Darabi , Sina Tayebati , Amit Ranjan Trivedi

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

Video-based human movement analysis holds potential for movement assessment in clinical practice and research. However, the clinical implementation and trust of multi-view markerless motion capture (MMMC) require that, in addition to being…

Computer Vision and Pattern Recognition · Computer Science 2026-02-02 Seth Donahue , Irina Djuraskovic , Kunal Shah , Fabian Sinz , Ross Chafetz , R. James Cotton

Research on Knowledge Tracing (KT) models traditionally focuses on improving predictive accuracy. However, responsible real-world deployment requires models to know when to defer uncertain predictions to a human teacher. We introduce an…

Machine Learning · Computer Science 2026-05-04 Joshua Mitton , Prarthana Bhattacharyya , Ralph Abboud , Simon Woodhead

Deployed language models must decide not only what to answer but also when not to answer. We present UniCR, a unified framework that turns heterogeneous uncertainty evidence including sequence likelihoods, self-consistency dispersion,…

Computation and Language · Computer Science 2025-12-30 Markus Oehri , Giulia Conti , Kaviraj Pather , Alexandre Rossi , Laia Serra , Adrian Parody , Rogvi Johannesen , Aviaja Petersen , Arben Krasniqi

We present a formal problem formulation for \textit{Reliable} Audio-Visual Question Answering ($\mathcal{R}$-AVQA), where we prefer abstention over answering incorrectly. While recent AVQA models have high accuracy, their ability to…

Machine Learning · Computer Science 2026-02-06 Dinh Phu Tran , Jihoon Jeong , Saad Wazir , Seongah Kim , Thao Do , Cem Subakan , Daeyoung Kim

When language models lack relevant knowledge for a given query, they frequently generate plausible responses that can be hallucinations, rather than admitting being agnostic about the answer. Retraining models to reward admitting ignorance…

Computation and Language · Computer Science 2026-05-01 Rui Xu , Yi Chen , Sihong Xie , Hui Xiong

Recent advances in machine learning have significantly improved prediction accuracy in various applications. However, ensuring the calibration of probabilistic predictions remains a significant challenge. Despite efforts to enhance model…

Machine Learning · Statistics 2025-08-05 Yan Sun , Pratik Chaudhari , Ian J. Barnett , Edgar Dobriban

Our objective is to construct well-calibrated prediction sets for a time-to-event outcome subject to right-censoring with guaranteed coverage. Inspired by modern conformal inference, our approach avoids the need for a well-specified…

Methodology · Statistics 2026-01-27 Rebecca Farina , Eric J. Tchetgen Tchetgen , Arun Kumar Kuchibhotla

Fairness in toxicity classification involves three integrated axes: ranking, calibration, and abstention. Training-time interventions and post-hoc safety mechanisms cannot be evaluated independently because the former determines the…

Machine Learning · Computer Science 2026-05-15 Mokshit Surana

Accurate click-through rate (CTR) prediction is vital for online advertising and recommendation systems. Recent deep learning advancements have improved the ability to capture feature interactions and understand user interests. However,…

Information Retrieval · Computer Science 2025-02-24 Kefan Wang , Hao Wang , Kenan Song , Wei Guo , Kai Cheng , Zhi Li , Yong Liu , Defu Lian , Enhong Chen
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