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Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how…

Machine Learning · Computer Science 2022-06-29 Erik Nijkamp , Jeffrey Ruffolo , Eli N. Weinstein , Nikhil Naik , Ali Madani

Proteins are the basic building blocks of life. They usually perform functions by folding to a particular structure. Understanding the folding process could help the researchers to understand the functions of proteins and could also help to…

Computational Engineering, Finance, and Science · Computer Science 2015-10-21 Jianzhu Ma

Self-supervised Learning (SSL) including the mainstream contrastive learning has achieved great success in learning visual representations without data annotations. However, most of methods mainly focus on the instance level information…

Computer Vision and Pattern Recognition · Computer Science 2021-07-26 Mingkai Zheng , Shan You , Fei Wang , Chen Qian , Changshui Zhang , Xiaogang Wang , Chang Xu

Low-rank adaptation (LoRA) has been prominently employed for parameter-efficient fine-tuning of large language models (LLMs). However, the limited expressive capacity of LoRA, stemming from the low-rank constraint, has been recognized as a…

Computation and Language · Computer Science 2025-03-18 Zhiwei He , Zhaopeng Tu , Xing Wang , Xingyu Chen , Zhijie Wang , Jiahao Xu , Tian Liang , Wenxiang Jiao , Zhuosheng Zhang , Rui Wang

In recent years, self-supervised learning has been studied to deal with the limitation of available labeled-dataset. Among the major components of self-supervised learning, the data augmentation pipeline is one key factor in enhancing the…

Computer Vision and Pattern Recognition · Computer Science 2022-05-25 Van-Nhiem Tran , Chi-En Huang , Shen-Hsuan Liu , Kai-Lin Yang , Timothy Ko , Yung-Hui Li

Accurate identification of protein active sites at the residue level is crucial for understanding protein function and advancing drug discovery. However, current methods face two critical challenges: vulnerability in single-instance…

Artificial Intelligence · Computer Science 2026-03-09 Jiayang Wu , Jiale Zhou , Rubo Wang , Xingyi Zhang , Xun Lin , Tianxu Lv , Leong Hou U , Yefeng Zheng

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through…

Computation and Language · Computer Science 2025-11-11 Juntong Wu , Zijing Liu , He Cao , Hao Li , Bin Feng , Zishan Shu , Ke Yu , Li Yuan , Yu Li

Proteins are complex biomolecules that play a central role in various biological processes, making them critical targets for breakthroughs in molecular biology, medical research, and drug discovery. Deciphering their intricate, hierarchical…

Machine Learning · Computer Science 2025-05-09 Viet Thanh Duy Nguyen , Truong-Son Hy

Reference-based image super-resolution (RefSR) has shown promising success in recovering high-frequency details by utilizing an external reference image (Ref). In this task, texture details are transferred from the Ref image to the…

Computer Vision and Pattern Recognition · Computer Science 2021-06-07 Liying Lu , Wenbo Li , Xin Tao , Jiangbo Lu , Jiaya Jia

Protein evolution through amino acid mutations is a cornerstone of life sciences. Recent advances in protein language models have shown rich evolutionary patterns, offering unprecedented potential for in-silicon directed evolution. However,…

Artificial Intelligence · Computer Science 2026-01-08 Yaodong Yang , Yang Wang , Jinpeng Li , Pei Guo , Da Han , Guangyong Chen , Pheng-Ann Heng

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Attention-based deep networks have been successfully applied on textual data in the field of NLP. However, their application on protein sequences poses additional challenges due to the weak semantics of the protein words, unlike the plain…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , Akshay Deepak

Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protein representations for predicting structures beyond…

Biomolecules · Quantitative Biology 2026-05-27 Taewon Kim , Hyosoon Jang , Hyunjin Seo , Seonghwan Seo , Hyeongwoo Kim , Wonho Zhung , Mingyeong Shin , Wooyoun Kim , Sungsoo Ahn

The multiple sequence alignment (MSA) of a protein family provides a wealth of information in terms of the conservation pattern of amino acid residues not only at each alignment site but also between distant sites. In order to statistically…

Biomolecules · Quantitative Biology 2016-04-27 Akira R. Kinjo

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Biomolecules · Quantitative Biology 2025-06-11 Logan Hallee , Nikolaos Rafailidis , David B. Bichara , Jason P. Gleghorn

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

Protein retrieval, which targets the deconstruction of the relationship between sequences, structures and functions, empowers the advancing of biology. Basic Local Alignment Search Tool (BLAST), a sequence-similarity-based algorithm, has…

Information Retrieval · Computer Science 2025-01-06 Yuxuan Wu , Xiao Yi , Yang Tan , Huiqun Yu , Guisheng Fan , Gaowei Zheng

Machine-learning models that learn from data to predict how protein sequence encodes function are emerging as a useful protein engineering tool. However, when using these models to suggest new protein designs, one must deal with the vast…

Quantitative Methods · Quantitative Biology 2021-07-07 Brian L. Hie , Kevin K. Yang

Less than 1% of protein sequences are structurally and functionally annotated. Natural Language Processing (NLP) community has recently embraced self-supervised learning as a powerful approach to learn representations from unlabeled text,…

Biomolecules · Quantitative Biology 2020-12-08 Modestas Filipavicius , Matteo Manica , Joris Cadow , Maria Rodriguez Martinez

Large language models (LLMs) have demonstrated strong capabilities in medical question answering; however, purely parametric models often suffer from knowledge gaps and limited factual grounding. Retrieval-augmented generation (RAG)…

Computation and Language · Computer Science 2026-04-09 Nusrat Sultana , Abdullah Muhammad Moosa , Kazi Afzalur Rahman , Sajal Chandra Banik