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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

A key challenge in enzyme annotation is identifying the biochemical reactions catalyzed by proteins. Most existing methods rely on Enzyme Commission (EC) numbers as intermediaries: they first predict an EC number and then retrieve the…

Machine Learning · Computer Science 2026-03-16 Zhenkun Shi , Jun Zhu , Dehang Wang , BoYu Chen , Qianqian Yuan , Zhitao Mao , Fan Wei , Weining Wu , Xiaoping Liao , Hongwu Ma

Protein homology search underlies function annotation, structure prediction, and evolutionary analysis, but remains challenging in the "twilight zone," where global sequence similarity is weak and classical alignment methods lose…

Machine Learning · Computer Science 2026-05-29 Gabrielle Cohn , Rohan Gumaste , Minh Hoang , Vihan Lakshman

Pretrained language models have shown success in various areas of natural language processing, including reading comprehension tasks. However, when applying machine learning methods to new domains, labeled data may not always be available.…

Computation and Language · Computer Science 2022-06-15 Xiang Pan , Alex Sheng , David Shimshoni , Aditya Singhal , Sara Rosenthal , Avirup Sil

This paper aims to retrieve proteins with similar structures and semantics from large-scale protein dataset, facilitating the functional interpretation of protein structures derived by structural determination methods like cryo-Electron…

Biomolecules · Quantitative Biology 2025-06-11 Qifeng Wu , Zhengzhe Liu , Han Zhu , Yizhou Zhao , Daisuke Kihara , Min Xu

As protein informatics advances rapidly, the demand for enhanced predictive accuracy, structural analysis, and functional understanding has intensified. Transformer models, as powerful deep learning architectures, have demonstrated…

Machine Learning · Computer Science 2025-05-28 Xiaowen Ling , Zhiqiang Li , Yanbin Wang , Zhuhong You

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the…

Machine Learning · Computer Science 2022-09-20 Minghao Xu , Zuobai Zhang , Jiarui Lu , Zhaocheng Zhu , Yangtian Zhang , Chang Ma , Runcheng Liu , Jian Tang

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

The ability to accurately model the fitness landscape of protein sequences is critical to a wide range of applications, from quantifying the effects of human variants on disease likelihood, to predicting immune-escape mutations in viruses…

Machine Learning · Computer Science 2022-05-30 Pascal Notin , Mafalda Dias , Jonathan Frazer , Javier Marchena-Hurtado , Aidan Gomez , Debora S. Marks , Yarin Gal

Survival analysis plays a vital role in making clinical decisions. However, the models currently in use are often difficult to interpret, which reduces their usefulness in clinical settings. Prototype learning presents a potential solution,…

Computer Vision and Pattern Recognition · Computer Science 2025-10-08 Shuo Jiang , Zhuwen Chen , Liaoman Xu , Yanming Zhu , Changmiao Wang , Jiong Zhang , Feiwei Qin , Yifei Chen , Zhu Zhu

Code completion is one of the most useful features in the Integrated Development Environments (IDEs), which can accelerate software development by suggesting the next probable token based on the contextual code in real-time. Recent studies…

Software Engineering · Computer Science 2021-01-01 Fang Liu , Ge Li , Yunfei Zhao , Zhi Jin

This paper presents an automated approach for interpretable feature recommendation for solving signal data analytics problems. The method has been tested by performing experiments on datasets in the domain of prognostics where…

Machine Learning · Statistics 2017-11-07 Snehasis Banerjee , Tanushyam Chattopadhyay , Ayan Mukherjee

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Textual explanations make image classifier decisions transparent by describing the prediction rationale in natural language. Large vision-language models can generate captions but are designed for general visual understanding, not…

Computer Vision and Pattern Recognition · Computer Science 2026-05-19 Toshinori Yamauchi , Hiroshi Kera , Kazuhiko Kawamoto

Deep learning models have driven significant progress in predicting protein function and interactions at the protein level. While these advancements have been invaluable for many biological applications such as enzyme engineering and…

Machine Learning · Computer Science 2025-05-20 Yang Tan , Wenrui Gou , Bozitao Zhong , Liang Hong , Huiqun Yu , Bingxin Zhou

We present a framework for optimizing prompts in vision-language models to elicit multimodal reasoning without model retraining. Using an evolutionary algorithm to guide prompt updates downstream of visual tasks, our approach improves upon…

Computation and Language · Computer Science 2025-04-01 Sid Bharthulwar , John Rho , Katrina Brown

In computer vision, fine-tuning is the de-facto approach to leverage pre-trained vision models to perform downstream tasks. However, deploying it in practice is quite challenging, due to adopting parameter inefficient global update and…

Computer Vision and Pattern Recognition · Computer Science 2022-08-24 Xing Nie , Bolin Ni , Jianlong Chang , Gaomeng Meng , Chunlei Huo , Zhaoxiang Zhang , Shiming Xiang , Qi Tian , Chunhong Pan

Motivation: In recent years, protein function prediction has broken through the bottleneck of sequence features, significantly improving prediction accuracy using high-precision protein structures predicted by AlphaFold2. While…

Machine Learning · Computer Science 2025-04-01 Beibei Wang , Boyue Cui , Shiqu Chen , Xuan Wang , Yadong Wang , Junyi Li

Data from discovery proteomic and phosphoproteomic experiments typically include missing values that correspond to proteins that have not been identified in the analyzed sample. Replacing the missing values with random numbers, a process…

Quantitative Methods · Quantitative Biology 2019-10-01 Matus Medo , Daniel M. Aebersold , Michaela Medova

Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs) to reason about downstream chemical tasks. However, the…

Computation and Language · Computer Science 2026-05-11 Feiyang Cai , Guijuan He , Yi Hu , Jingjing Wang , Joshua Luo , Tianyu Zhu , Srikanth Pilla , Gang Li , Ling Liu , Feng Luo