Accurate ranking of antibody candidates according to their binding affinity is essential for therapeutic antibody discovery. However, existing methods treat affinity comparisons independently and ignore the contextual information encoded in other labeled comparisons, limiting their ability to capture antigen-specific binding landscapes.
arXiv:2607. 05846v1 Announce Type: cross Abstract: Accurate ranking of antibody candidates according to their binding affinity is essential for therapeutic antibody discovery.
By Zhiyuan Chen, Jing Hu, Junzhe Wang, Yueyang Huang, Xinyi Yang, Zhaoyang Wang, Feng Zhu
arXiv:2609.00518v1 Announce Type: new
Abstract: Antibody-specific language models pretrained via masked language modeling (MLM) learn representations that are critical for downstream sequence design...
By Ayan Goel, Thomas A. Walton, Amirali Aghazadeh
The paper introduces a flexible sampling technique for masked language models (MLMs) called stochastic beam search, which leverages MLMs’ efficiency in evaluating the pseudo‑perplexity of a sequence’s 1‑edit neighborhood. This method reframes generation as whole‑sequence evaluation, allowing guidance across multiple optimization objectives. Extensive in‑silico and in‑vitro tests on antibody therapeutics demonstrate that the sampling strategy significantly influences outcomes, highlighting the need for further research in this area.
By Calvin McCarter, Nick Bhattacharya, Sebastian W. Ober, Hunter Elliott
Antibodies are essential proteins that play a central role in immune recognition by binding specific antigen molecules. Although recent protein language models have enabled progress in single-chain protein modeling and generation, they often fall short in antigen-specific antibody design, where effective modeling requires explicit pairing between antibody and antigen, particularly at the epitope level.
arXiv:2607. 20057v1 Announce Type: cross Abstract: Antibodies are essential proteins that play a central role in immune recognition by binding specific antigen molecules.
By Xiaoliang Shi, Zichen Wang, Runze Ma, Zhongyue Zhang, Shuangjia Zheng
arXiv:2606. 07690v1 Announce Type: cross Abstract: Finetuning data selection requires balancing two competing goals: selecting examples that improve the downstream objective, and doing so without repeatedly finetuning models.
By Ning Wang, Zhengxin Zhang, Maosen Tang, Yitang Gao, Claire Cardie, Sainyam Galhotra
arXiv:2603. 13431v3 Announce Type: replace-cross Abstract: Computational antibody design has seen rapid methodological progress, with dozens of deep generative methods proposed in the past three years, yet the field lacks a standardized benchmark for fair comparison and model development.
By Mansoor Ahmed, Nadeem Taj, Imdad Ullah Khan, Hemanth Venkateswara, Murray Patterson
DuaDeep-SeqAffinity is a sequence-only deep learning framework that predicts antibody–antigen binding affinity directly from primary amino acid sequences, eliminating the need for resolved 3D structures. The model processes the antigen and the antibody heavy and light chains as three independent streams, each embedded with a frozen ESM‑2 protein language model and passed through parallel Transformer and CNN branches before late fusion. On a sequence‑disjoint split of the AbRank benchmark, it achieves a Pearson correlation of 0.683, an R² of 0.460, and a pairwise ranking AUC of 0.895, outperforming single‑branch ablations and showing attention to CDR loops and epitope residues.
By Aicha Boutorh, Soumia Bouyahiaoui, Manel Kara Laouar, Sara Belhadj, Nour El Yakine Guendouz, Asma Boutorh
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
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
Protein language models (PLMs) have emerged as powerful tools for controllable biomolecular design, yet their post-training adaptation typically relies on costly wet-lab validation or curated preference datasets. To overcome this supervision bottleneck, we introduce unsupervised reward optimization of PLMs, a comprehensive framework for steerable protein generation without ground-truth labels.