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Bayesian optimization offers a sample-efficient framework for navigating the exploration-exploitation trade-off in the vast design space of biological sequences. Whereas it is possible to optimize the various properties of interest jointly…

The adaptive immune response, largely mediated by B-cell receptors (BCRs), plays a crucial role for effective pathogen neutralization due to its diversity and antigen specificity. Designing BCRs de novo, or from scratch, has been…

Biomolecules · Quantitative Biology 2024-09-11 Desmond Kuan , Amir Barati Farimani

Antibodies offer great potential for the treatment of various diseases. However, the discovery of therapeutic antibodies through traditional wet lab methods is expensive and time-consuming. The use of generative models in designing…

Transformers have made great progress in dealing with computer vision tasks. However, existing vision transformers do not yet possess the ability of building the interactions among features of different scales, which is perceptually…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Wenxiao Wang , Lu Yao , Long Chen , Binbin Lin , Deng Cai , Xiaofei He , Wei Liu

Recent advances in diffusion models have shown remarkable potential for antibody design, yet existing approaches apply uniform generation strategies that cannot adapt to each antigen's unique requirements. Inspired by B cell affinity…

Machine Learning · Computer Science 2025-08-19 Hanqi Feng , Peng Qiu , Mengchun Zhang , Yiran Tao , You Fan , Jingtao Xu , Barnabas Poczos

Antibodies are versatile proteins that can bind to pathogens and provide effective protection for human body. Recently, deep learning-based computational antibody design has attracted popular attention since it automatically mines the…

Biomolecules · Quantitative Biology 2022-11-18 Kaiyuan Gao , Lijun Wu , Jinhua Zhu , Tianbo Peng , Yingce Xia , Liang He , Shufang Xie , Tao Qin , Haiguang Liu , Kun He , Tie-Yan Liu

We give a novel logical characterization of encoder-decoder transformers, the foundational architecture for LLMs that also sees use in various settings that benefit from cross-attention. We study such transformers over text in the practical…

Logic in Computer Science · Computer Science 2026-05-11 Veeti Ahvonen , Damian Heiman , Antti Kuusisto , Miguel Moreno , Matias Selin

Machine learning and deep learning have gained popularity and achieved immense success in Drug discovery in recent decades. Historically, machine learning and deep learning models were trained on either structural data or chemical…

Machine Learning · Statistics 2019-09-18 Huy Ngoc Pham , Trung Hoang Le

Antibody design is valuable for therapeutic usage and biological research. Existing deep-learning-based methods encounter several key issues: 1) incomplete context for Complementarity-Determining Regions (CDRs) generation; 2) incapability…

Biomolecules · Quantitative Biology 2023-03-31 Xiangzhe Kong , Wenbing Huang , Yang Liu

In this paper, we propose a novel cross-attention-based generative adversarial network (GAN) for the challenging person image generation task. Cross-attention is a novel and intuitive multi-modal fusion method in which an…

Computer Vision and Pattern Recognition · Computer Science 2025-01-16 Hao Tang , Ling Shao , Nicu Sebe , Luc Van Gool

In this paper, we propose a novel architecture for multi-modal speech and text input. We combine pretrained speech and text encoders using multi-headed cross-modal attention and jointly fine-tune on the target problem. The resultant…

Computation and Language · Computer Science 2022-04-21 Karan Singla , Daniel Pressel , Ryan Price , Bhargav Srinivas Chinnari , Yeon-Jun Kim , Srinivas Bangalore

Recent advances in Transformer architectures have empowered their empirical success in a variety of tasks across different domains. However, existing works mainly focus on predictive accuracy and computational cost, without considering…

Machine Learning · Computer Science 2023-11-09 Xing Han , Tongzheng Ren , Tan Minh Nguyen , Khai Nguyen , Joydeep Ghosh , Nhat Ho

The powerful modeling capabilities of all-attention-based transformer architectures often cause overfitting and - for natural language processing tasks - lead to an implicitly learned internal language model in the autoregressive…

Machine Learning · Computer Science 2022-09-21 Timo Lohrenz , Björn Möller , Zhengyang Li , Tim Fingscheidt

Code-switching (CS) occurs when a speaker alternates words of two or more languages within a single sentence or across sentences. Automatic speech recognition (ASR) of CS speech has to deal with two or more languages at the same time. In…

Audio and Speech Processing · Electrical Eng. & Systems 2020-06-19 Xinyuan Zhou , Emre Yılmaz , Yanhua Long , Yijie Li , Haizhou Li

Optical coherence tomography (OCT) is one of the non-invasive and easy-to-acquire biomarkers (the thickness of the retinal layers, which is detectable within OCT scans) being investigated to diagnose Alzheimer's disease (AD). This work aims…

Image and Video Processing · Electrical Eng. & Systems 2022-06-14 Paria Jeihouni , Omid Dehzangi , Annahita Amireskandari , Ali Dabouei , Ali Rezai , Nasser M. Nasrabadi

Existing work in multilingual pretraining has demonstrated the potential of cross-lingual transferability by training a unified Transformer encoder for multiple languages. However, much of this work only relies on the shared vocabulary and…

Computation and Language · Computer Science 2021-06-03 Fuli Luo , Wei Wang , Jiahao Liu , Yijia Liu , Bin Bi , Songfang Huang , Fei Huang , Luo Si

Antibodies are Y-shaped proteins that neutralize pathogens and constitute the core of our adaptive immune system. De novo generation of new antibodies that target specific antigens holds the key to accelerating vaccine discovery. However,…

Machine Learning · Computer Science 2023-06-05 Yogesh Verma , Markus Heinonen , Vikas Garg

Therapeutic antibodies require not only high-affinity target engagement, but also favorable manufacturability, stability, and safety profiles for clinical effectiveness. These properties are collectively called `developability'. To enable a…

Machine Learning · Computer Science 2025-07-04 Siqi Zhao , Joshua Moller , Porfi Quintero-Cadena , Lood van Niekerk

Domain-specific text embeddings are critical for clinical natural language processing, yet systematic comparisons across model architectures remain limited. This study evaluates ten transformer-based embedding models adapted for cardiology…

Computation and Language · Computer Science 2025-11-26 Richard J. Young , Alice M. Matthews

We present TreeGPT, an attention-free neural architecture that explores the potential of pure TreeFFN encoder-decoder design for structured reasoning tasks. Unlike traditional transformer approaches that rely on attention mechanisms,…

Artificial Intelligence · Computer Science 2025-09-12 Zixi Li