AbICL: In-Context Learning for Antigen-Specific Antibody Affinity Ranking
- URL: http://arxiv.org/abs/2607.05846v1
- Date: Tue, 07 Jul 2026 05:06:53 GMT
- Title: AbICL: In-Context Learning for Antigen-Specific Antibody Affinity Ranking
- Abstract summary: We propose AbICL, an ICL framework for antigen-specific antibody affinity ranking.<n> experiments on the AbRank benchmark demonstrate that AbICL consistently outperforms existing ranking baselines.<n>These findings highlight the potential of ICL as an effective paradigm for antigen-specific antibody affinity ranking.
- Score: 14.780636181646818
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: 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. For many target antigens, a small number of experimentally characterized affinity comparisons are often available. An important question is whether the model can exploit these existing comparisons to infer antigen-specific ranking patterns that facilitate subsequent affinity ranking. This form of learning from labeled demonstrations closely resembles the paradigm of In-Context Learning, motivating us to revisit antibody affinity ranking from an ICL perspective. To this end, we propose AbICL, an ICL framework for antigen-specific antibody affinity ranking. AbICL combines a pretrained structural encoder with a context ranking head and is trained with an episodic meta-training strategy that enables the model to leverage support demonstrations for test-time adaptation without gradient updates. Experiments on the AbRank benchmark demonstrate that AbICL consistently outperforms existing ranking baselines across almost all data splits and evaluation benchmarks. Further analysis shows that the value of contextual demonstrations depends on how well they match the target inference task, and becomes increasingly pronounced under distribution shift and fine-grained affinity discrimination. These findings highlight the potential of ICL as an effective paradigm for antigen-specific antibody affinity ranking, particularly in challenging settings where a single global ranking function is insufficient.
Related papers
- Preference-based Antibody Expression Ranking: Scaling with Large-scale Weak Supervision [1.5623752145311105]
We propose a unified preference-based learning framework that integrates scarce quantitative expression data with large-scale weak positive supervision from immunization data.<n>We adapt Direct Preference Optimization to protein language models by introducing a union-masked log-likelihood approximation and IMGT-based alignment.<n>Our results demonstrate that preference learning can effectively learn from weak supervision, providing a scalable solution for antibody expressibility optimization in data-constrained settings.
arXiv Detail & Related papers (2026-06-29T03:34:12Z) - K-Models: a Flexible and Interpretable Method for Ordinal Clustering with Application to Antigen-Antibody Interaction Profiles [65.21921642886367]
K-Models is a novel framework that integrates ordinal constraints and estimates key underlying elements of the random process generating the observed functional profiles.<n>The proposed method is evaluated through simulations and real-world applications.
arXiv Detail & Related papers (2026-05-14T13:35:44Z) - AbLWR:A Context-Aware Listwise Ranking Framework for Antibody-Antigen Binding Affinity Prediction via Positive-Unlabeled Learning [31.99809102852669]
AbLWR (Antibody-antigen binding affinity List-Wise Ranking) is a novel framework that reformulates the conventional affinity regression task as a listwise ranking problem.<n>To mitigate label sparsity, AbLWR incorporates a PU (Positive-Unlabeled) learning mechanism leveraging a dual-level contrastive objective and meta-optimized refinement to learn robust representations.
arXiv Detail & Related papers (2026-04-13T10:28:36Z) - ABConformer: Physics-inspired Sliding Attention for Antibody-Antigen Interface Prediction [3.947298454012977]
We present ABCONFORMER, a model based on the Conformer backbone that captures both local and global features of a biosequence.<n>ABCONFORMER can accurately predict paratopes and antigens given the antibody and sequence, and predict pan-epitopes on the antigen without antibody information.
arXiv Detail & Related papers (2025-09-27T11:12:04Z) - AbRank: A Benchmark Dataset and Metric-Learning Framework for Antibody-Antigen Affinity Ranking [3.6572710422983445]
AbRank is a large-scale benchmark and evaluation framework that reframes affinity prediction as a pairwise ranking problem.<n>We introduce WALLE-Affinity, a graph-based approach that integrates protein language model embeddings with structural information to predict pairwise binding preferences.
arXiv Detail & Related papers (2025-06-21T23:34:46Z) - Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimization [61.06622479173572]
We propose a novel Relation-Aware Design (RAAD) framework, which models antigen-antibody interactions for co-designing sequences and structures of antigen-specific CDRs.<n> Furthermore, we propose a new evaluation metric to better measure antibody specificity and develop a contrasting specificity-enhancing constraint to optimize the specificity of antibodies.
arXiv Detail & Related papers (2024-12-14T03:00:44Z) - Evaluating Zero-Shot Scoring for In Vitro Antibody Binding Prediction
with Experimental Validation [0.08968838300743379]
We compare 8 common scoring paradigms based on open-source models to classify antibody designs as binders or non-binders.
Results show that existing methods struggle to detect binders, and performance is highly variable across antigens.
arXiv Detail & Related papers (2023-12-07T23:34:03Z) - Incorporating Pre-training Paradigm for Antibody Sequence-Structure
Co-design [134.65287929316673]
Deep learning-based computational antibody design has attracted popular attention since it automatically mines the antibody patterns from data that could be complementary to human experiences.
The computational methods heavily rely on high-quality antibody structure data, which is quite limited.
Fortunately, there exists a large amount of sequence data of antibodies that can help model the CDR and alleviate the reliance on structure data.
arXiv Detail & Related papers (2022-10-26T15:31:36Z) - Reprogramming Pretrained Language Models for Antibody Sequence Infilling [72.13295049594585]
Computational design of antibodies involves generating novel and diverse sequences, while maintaining structural consistency.
Recent deep learning models have shown impressive results, however the limited number of known antibody sequence/structure pairs frequently leads to degraded performance.
In our work we address this challenge by leveraging Model Reprogramming (MR), which repurposes pretrained models on a source language to adapt to the tasks that are in a different language and have scarce data.
arXiv Detail & Related papers (2022-10-05T20:44:55Z) - Hierarchical Semi-Supervised Contrastive Learning for
Contamination-Resistant Anomaly Detection [81.07346419422605]
Anomaly detection aims at identifying deviant samples from the normal data distribution.
Contrastive learning has provided a successful way to sample representation that enables effective discrimination on anomalies.
We propose a novel hierarchical semi-supervised contrastive learning framework, for contamination-resistant anomaly detection.
arXiv Detail & Related papers (2022-07-24T18:49:26Z) - Adversarial Contrastive Learning via Asymmetric InfoNCE [64.42740292752069]
We propose to treat adversarial samples unequally when contrasted with an asymmetric InfoNCE objective.
In the asymmetric fashion, the adverse impacts of conflicting objectives between CL and adversarial learning can be effectively mitigated.
Experiments show that our approach consistently outperforms existing Adversarial CL methods.
arXiv Detail & Related papers (2022-07-18T04:14:36Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.