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Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Identification of protein-protein interactions (PPIs) helps derive cellular mechanistic understanding, particularly in the context of complex conditions such as neurodegenerative disorders, metabolic syndromes, and cancer. Large Language…

Machine Learning · Computer Science 2025-08-18 Sanket Jantre , Tianle Wang , Gilchan Park , Kriti Chopra , Nicholas Jeon , Xiaoning Qian , Nathan M. Urban , Byung-Jun Yoon

Click-through rate (CTR) prediction has become increasingly indispensable for various Internet applications. Traditional CTR models convert the multi-field categorical data into ID features via one-hot encoding, and extract the…

Information Retrieval · Computer Science 2024-06-27 Jianghao Lin , Bo Chen , Hangyu Wang , Yunjia Xi , Yanru Qu , Xinyi Dai , Kangning Zhang , Ruiming Tang , Yong Yu , Weinan Zhang

The transformers have achieved significant accomplishments in the natural language processing as its outstanding parallel processing capabilities and highly flexible attention mechanism. In addition, increasing studies based on transformers…

Computation and Language · Computer Science 2024-07-19 Wei Lan , Guohang He , Mingyang Liu , Qingfeng Chen , Junyue Cao , Wei Peng

Protein Language Models (PLMs), pre-trained on extensive evolutionary data from natural proteins, have emerged as indispensable tools for protein design. While powerful, PLMs often struggle to produce proteins with precisely specified…

Biomolecules · Quantitative Biology 2025-09-15 Long-Kai Huang , Rongyi Zhu , Bing He , Jianhua Yao

Protein language models (pLMs) produce per-residue representations that capture evolutionary and structural information, yet their mean-pooled sequence embeddings are not explicitly trained to reflect functional, evolutionary or structural…

Machine Learning · Computer Science 2026-05-11 Dan Ofer , Oriel Perets , Michal Linial , Nadav Rappoport

Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural…

Machine Learning · Computer Science 2024-10-31 Yizhen Luo , Zikun Nie , Massimo Hong , Suyuan Zhao , Hao Zhou , Zaiqing Nie

Recent advancements in Large Language Models (LLMs), particularly those built on Transformer architectures, have significantly broadened the scope of natural language processing (NLP) applications, transcending their initial use in chatbot…

Computation and Language · Computer Science 2024-05-29 Chen Wang , Jin Zhao , Jiaqi Gong

Predicting protein stability changes induced by single-point mutations has been a persistent challenge over the years, attracting immense interest from numerous researchers. The ability to precisely predict protein thermostability is…

Biomolecules · Quantitative Biology 2023-12-08 Yijie Zhang , Zhangyang Gao , Cheng Tan , Stan Z. Li

How we choose to represent our data has a fundamental impact on our ability to subsequently extract information from them. Machine learning promises to automatically determine efficient representations from large unstructured datasets, such…

Biomolecules · Quantitative Biology 2022-05-31 Nicki Skafte Detlefsen , Søren Hauberg , Wouter Boomsma

Protein language models (PLMs) have advanced computational protein science through large-scale pretraining and scalable architectures. In parallel, reinforcement learning (RL) has broadened exploration and enabled precise multi-objective…

Recent advancements in specialized large-scale architectures for training image and language have profoundly impacted the field of computer vision and natural language processing (NLP). Language models, such as the recent ChatGPT and GPT4…

Biomolecules · Quantitative Biology 2023-05-04 Sergio Romero-Romero , Sebastian Lindner , Noelia Ferruz

Regression testing is an essential activity to assure that software code changes do not adversely affect existing functionalities. With the wide adoption of Continuous Integration (CI) in software projects, which increases the frequency of…

Software Engineering · Computer Science 2022-09-07 Rongqi Pan , Mojtaba Bagherzadeh , Taher A. Ghaleb , Lionel Briand

Transformer-based pretrained language models (PLMs) have started a new era in modern natural language processing (NLP). These models combine the power of transformers, transfer learning, and self-supervised learning (SSL). Following the…

Computation and Language · Computer Science 2021-09-03 Katikapalli Subramanyam Kalyan , Ajit Rajasekharan , Sivanesan Sangeetha

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep…

Biomolecules · Quantitative Biology 2023-12-08 Julia R. Rogers , Gergő Nikolényi , Mohammed AlQuraishi

Recent advancements in deep learning, particularly large language models (LLMs), made a significant impact on how researchers study microbiome and metagenomics data. Microbial protein and genomic sequences, like natural languages, form a…

Quantitative Methods · Quantitative Biology 2024-09-18 Binghao Yan , Yunbi Nam , Lingyao Li , Rebecca A. Deek , Hongzhe Li , Siyuan Ma

Deep learning has become a powerful tool in computational biology, revolutionising the analysis and interpretation of biological data over time. In our article review, we delve into various aspects of deep learning in computational biology.…

Protein language models (pLMs) have emerged as powerful predictors of protein structure and function. However, the computational circuits underlying their predictions remain poorly understood. Recent mechanistic interpretability methods…

Machine Learning · Computer Science 2026-05-14 Darin Tsui , Kunal Talreja , Daniel Saeedi , Amirali Aghazadeh

This paper introduces a novel approach for identifying the possible large language models (LLMs) involved in text generation. Instead of adding an additional classification layer to a base LM, we reframe the classification task as a…

Computation and Language · Computer Science 2024-02-08 Yutian Chen , Hao Kang , Vivian Zhai , Liangze Li , Rita Singh , Bhiksha Raj

Transformer-based pretrained language models (T-PTLMs) have achieved great success in almost every NLP task. The evolution of these models started with GPT and BERT. These models are built on the top of transformers, self-supervised…

Computation and Language · Computer Science 2021-08-31 Katikapalli Subramanyam Kalyan , Ajit Rajasekharan , Sivanesan Sangeetha
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