arXiv:2606. 04154v1 Announce Type: cross Abstract: Antibodies neutralize foreign antigens by binding to specific surface regions called epitopes.
By Mansoor Ahmed, Huirong Chai, Haoxin Wang, Hemanth Venkateswara, Murray Patterson
CaliPPer is a post‑hoc framework that calibrates and predicts the performance of binding‑prediction models by combining a multi‑chain Sample‑to‑Domain Distance (S2DD) metric with distance‑aware Bayesian recalibration. It operates at three resolutions—generalisability score, aggregate performance prediction, and per‑sample confidence—achieving strong distance‑performance correlations (|r| = 0.80–0.92) and low prediction errors for AUROC, AP, and F1. In retrospective analyses of five published studies, CaliPPer increased true discovery rates, improving AUROC by up to +0.20 on unseen epitopes and variants and raising confirmed neoantigen findings from 0/5 to 3/5.
By Jian-Qing Zheng, Hantao Lou, Zinan Yin, Sam Farrar, Yuze Zhou, Elie Antoun, Xiangxi Wang, Xuetao Cao, Tao Dong
arXiv:2602. 17330v5 Announce Type: replace-cross Abstract: Comparative analysis of adaptive immune repertoires at population scale is hampered by two practical bottlenecks: the near-quadratic cost of pairwise affinity evaluations and dataset imbalances that obscure clinically important minority clonotypes.
By Rong Fu, Zijian Zhang, Kun Liu, Jiekai Wu, Xianda Li, Simon Fong
arXiv:2605. 21610v2 Announce Type: replace Abstract: Antibody design methods condition on antigen structure to generate complementarity-determining regions (CDR), yet a systematic evaluation of baseline methods reveals that they largely ignore the antigen input.
By Mansoor Ahmed, Murray Patterson
The paper introduces Explainability from Training (EFT), a model‑agnostic method that tracks how deep learning models learn and organize evidence during training. EFT is applied to four leading T cell receptor‑epitope prediction models, revealing distinct learning trajectories for CNNs and transformers, conflicts between TCR alpha and beta chain evidence, and differences in feature preferences when using real versus predicted structural data. The authors also present a new benchmark, TCR‑XAI2, comprising 388 experimentally resolved TCR‑epitope structures and several predicted models to evaluate these insights.
By Jiarui Li, Zixiang Yin, Samuel Landry, Zhengming Ding, Ramgopal Mettu
arXiv:2606. 28655v1 Announce Type: cross Abstract: Parameterized quantum circuits (PQCs) provide a flexible substrate for hybrid quantum machine learning (QML), but their practical value on Noisy Intermediate-Scale Quantum (NISQ) devices remains an empirical question, especially because training depth and scale can introduce optimization challenges such as barren plateaus.
By Aspen Erlandsson Brisebois, Luis Pablo Gonzalez Dominguez, Shivansi Prajapati, Zahed Khatooni, Heather L. Wilson, Connor Burbridge, Brook Byrns, Sureesh Tikoo, Christophe Pere, Steven Rayan, Gordon Broderick