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Bridging the exponentially growing gap between the numbers of unlabeled and labeled protein sequences, several studies adopted semi-supervised learning for protein sequence modeling. In these studies, models were pre-trained with a…

Biomolecules · Quantitative Biology 2021-09-20 Seonwoo Min , Seunghyun Park , Siwon Kim , Hyun-Soo Choi , Byunghan Lee , Sungroh Yoon

Rapid development of modern sequencing platforms enabled an unprecedented growth of protein families databases. The abundance of sets composed of hundreds of thousands sequences is a great challenge for multiple sequence alignment…

Genomics · Quantitative Biology 2017-03-03 Sebastin Deorowicz , Agnieszka Debudaj-Grabysz , Adam Gudys

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein…

Machine Learning · Computer Science 2023-10-20 Yufei Huang , Siyuan Li , Jin Su , Lirong Wu , Odin Zhang , Haitao Lin , Jingqi Qi , Zihan Liu , Zhangyang Gao , Yuyang Liu , Jiangbin Zheng , Stan. ZQ. Li

Retrieving homologous protein sequences is essential for a broad range of protein modeling tasks such as fitness prediction, protein design, structure modeling, and protein-protein interactions. Traditional workflows have relied on a…

Quantitative Methods · Quantitative Biology 2025-06-11 Ruben Weitzman , Peter Mørch Groth , Lood Van Niekerk , Aoi Otani , Yarin Gal , Debora Marks , Pascal Notin

Antibodies play a central role in the immune response by specifically recognizing and neutralizing antigens, and therapeutic antibodies have become major drugs for cancer and autoimmune diseases. However, their discovery still relies on…

Quantitative Methods · Quantitative Biology 2026-05-29 Xiao Luo

Retrieval-augmented language models (LMs) have received much attention recently. However, typically the retriever is not trained jointly as a native component of the LM, but added post-hoc to an already-pretrained LM, which limits the…

Computation and Language · Computer Science 2024-07-23 Ohad Rubin , Jonathan Berant

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Despite remarkable progress, existing multimodal large language models (MLLMs) are still inferior in granular visual recognition. Contrary to previous works, we study this problem from the perspective of image resolution, and reveal that a…

Computer Vision and Pattern Recognition · Computer Science 2024-03-06 Gen Luo , Yiyi Zhou , Yuxin Zhang , Xiawu Zheng , Xiaoshuai Sun , Rongrong Ji

In this study, we tackle the challenging task of predicting secondary structures from protein primary sequences, a pivotal initial stride towards predicting tertiary structures, while yielding crucial insights into protein activity,…

Machine Learning · Computer Science 2025-11-18 Disha Varshney , Samarth Garg , Sarthak Tyagi , Deeksha Varshney , Nayan Deep , Asif Ekbal

Modern approaches to enhancing Large Language Models' factual accuracy and knowledge utilization face a fundamental trade-off: non-parametric retrieval-augmented generation (RAG) provides flexible access to external knowledge but suffers…

Computation and Language · Computer Science 2026-03-02 Rubin Wei , Jiaqi Cao , Jiarui Wang , Jushi Kai , Qipeng Guo , Bowen Zhou , Zhouhan Lin

The Automated Protein Structure Analysis (APSA) method is used for the classification of supersecondary structures. Basis for the classification is the encoding of three-dimensional (3D) residue conformations into a 16-letter code (3D-1D…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Ranganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

Assembly code analysis and comprehension play critical roles in applications like reverse engineering, yet they face substantial challenges due to low information density and a lack of explicit syntactic structures. While traditional masked…

Software Engineering · Computer Science 2025-05-23 Xinyi Wang , Jiashui Wang , Jinbo Su , Ke Wang , Peng Chen , Yanming Liu , Long Liu , Xiang Li , Yangdong Wang , Qiyuan Chen , Rongze Chen , Chunfu Jia

Fine-tuning helps large language models (LLM) recover degraded information and enhance task performance. Although Low-Rank Adaptation (LoRA) is widely used and effective for fine-tuning, we have observed that its scaling factor can limit or…

Machine Learning · Computer Science 2025-01-14 Jun Liu , Zhenglun Kong , Peiyan Dong , Changdi Yang , Xuan Shen , Pu Zhao , Hao Tang , Geng Yuan , Wei Niu , Wenbin Zhang , Xue Lin , Dong Huang , Yanzhi Wang

Retrieval-augmented Generation (RAG) extends large language models (LLMs) with external knowledge but faces key challenges: restricted effective context length and redundancy in retrieved documents. Pure compression-based approaches reduce…

Computation and Language · Computer Science 2025-07-09 Yiqiao Jin , Kartik Sharma , Vineeth Rakesh , Yingtong Dou , Menghai Pan , Mahashweta Das , Srijan Kumar

While protein language models (PLMs) are one of the most promising avenues of research for future de novo protein design, the way in which they transform sequences to hidden representations, as well as the information encoded in such…

Machine Learning · Computer Science 2026-05-29 Kosio Beshkov , Anders Malthe-Sørenssen

Retrieval-based augmentations (RA) incorporating knowledge from an external database into language models have greatly succeeded in various knowledge-intensive (KI) tasks. However, integrating retrievals in non-knowledge-intensive (NKI)…

Computation and Language · Computer Science 2024-05-28 Shangyu Wu , Ying Xiong , Yufei Cui , Xue Liu , Buzhou Tang , Tei-Wei Kuo , Chun Jason Xue

Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

AlphaFold2 (AF2) has transformed protein structure prediction by harnessing co-evolutionary constraints embedded in multiple sequence alignments (MSAs). MSAs not only encode static structural information, but also hold critical details…

Biomolecules · Quantitative Biology 2025-03-04 Enming Xing , Junjie Zhang , Shen Wang , Xiaolin Cheng

Requirements Satisfaction Assessment (RSA) evaluates whether the set of design elements linked to a single requirement provide sufficient coverage of that requirement -- typically meaning that all concepts in the requirement are addressed…

Software Engineering · Computer Science 2023-12-08 Amrit Poudel , Jinfeng Lin , Jane Cleland-Huang

Self-supervised representation learning~(SSRL) has advanced considerably by exploiting the transformation invariance assumption under artificially designed data augmentations. While augmentation-based SSRL algorithms push the boundaries of…

Machine Learning · Computer Science 2024-03-22 Yi Sui , Tongzi Wu , Jesse C. Cresswell , Ga Wu , George Stein , Xiao Shi Huang , Xiaochen Zhang , Maksims Volkovs
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