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Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM…

Biomolecules · Quantitative Biology 2023-10-06 Zeyuan Wang , Qiang Zhang , Keyan Ding , Ming Qin , Xiang Zhuang , Xiaotong Li , Huajun Chen

Large language models are trained on massive scrapes of the web, as required by current scaling laws. Most progress is made for English, given its abundance of high-quality pretraining data. For most other languages, however, such high…

Computation and Language · Computer Science 2025-02-07 Skyler Seto , Maartje ter Hoeve , Richard He Bai , Natalie Schluter , David Grangier

Many applications of machine learning methods involve an iterative protocol in which data are collected, a model is trained, and then outputs of that model are used to choose what data to consider next. For example, one data-driven approach…

Machine Learning · Computer Science 2025-04-07 Clara Fannjiang , Stephen Bates , Anastasios N. Angelopoulos , Jennifer Listgarten , Michael I. Jordan

Protein analysis tasks arising in healthcare settings often require accurate reasoning under protein sequence constraints, involving tasks such as functional interpretation of disease-related variants, protein-level analysis for clinical…

Artificial Intelligence · Computer Science 2026-03-03 Congying Liu , Taihao Li , Ming Huang , Xingyuan Wei , Peipei Liu , Yiqing Shen , Yanxu Mao , Tiehan Cui

Protein activity is a significant characteristic for recombinant proteins which can be used as biocatalysts. High activity of proteins reduces the cost of biocatalysts. A model that can predict protein activity from amino acid sequence is…

Quantitative Methods · Quantitative Biology 2018-07-23 X. Han , X. Wang , K. Zhou

The protein design problem involves finding polypeptide sequences folding into a given threedimensional structure. Its rigorous algorithmic solution is computationally demanding, involving a nested search in sequence and structure spaces.…

Quantum Physics · Physics 2024-07-11 Veronica Panizza , Philipp Hauke , Cristian Micheletti , Pietro Faccioli

Fine-tuning Large Language Models (LLMs) on specific datasets is a common practice to improve performance on target tasks. However, this performance gain often leads to overfitting, where the model becomes too specialized in either the task…

Computation and Language · Computer Science 2024-09-10 Sonam Gupta , Yatin Nandwani , Asaf Yehudai , Mayank Mishra , Gaurav Pandey , Dinesh Raghu , Sachindra Joshi

Self-supervised Pretrained Models (PTMs) have demonstrated remarkable performance in computer vision and natural language processing tasks. These successes have prompted researchers to design PTMs for time series data. In our experiments,…

This article focuses on large language models (LLMs) fine-tuning in the scarce data regime (also known as the "few-shot" learning setting). We propose a method to increase the generalization capabilities of LLMs based on neural network…

Machine Learning · Computer Science 2023-10-25 Louis Falissard , Vincent Guigue , Laure Soulier

Adversarial Training (AT) with Projected Gradient Descent (PGD) is an effective approach for improving the robustness of the deep neural networks. However, PGD AT has been shown to suffer from two main limitations: i) high computational…

Computer Vision and Pattern Recognition · Computer Science 2020-12-29 Ahmadreza Jeddi , Mohammad Javad Shafiee , Alexander Wong

Large self-supervised models pretrained on millions of protein sequences have recently gained popularity in generating embeddings of protein sequences for protein function prediction. However, the absence of random baselines makes it…

Biomolecules · Quantitative Biology 2021-05-03 Tianyu Lu , Alex X. Lu , Alan M. Moses

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…

Prompt tuning (PT) is an effective approach to adapting pre-trained language models to downstream tasks. Without a good initialization, prompt tuning doesn't perform well under few-shot settings. So pre-trained prompt tuning (PPT) is…

Computation and Language · Computer Science 2022-05-26 Yukun Huang , Kun Qian , Zhou Yu

Accurately finding proteins and genes that have a certain function is the prerequisite for a broad range of biomedical applications. Despite the encouraging progress of existing computational approaches in protein function prediction, it…

Quantitative Methods · Quantitative Biology 2022-04-22 Hanwen Xu , Sheng Wang

This work presents a general unsupervised learning method to improve the accuracy of sequence to sequence (seq2seq) models. In our method, the weights of the encoder and decoder of a seq2seq model are initialized with the pretrained weights…

Computation and Language · Computer Science 2018-02-23 Prajit Ramachandran , Peter J. Liu , Quoc V. Le

Recent advances in protein large language models, such as ProtTeX, represent both side-chain amino acids and backbone structure as discrete token sequences of residue length. While this design enables unified modeling of multimodal protein…

Machine Learning · Computer Science 2025-08-19 Chuanliu Fan , Zicheng Ma , Jun Gao , Nan Yu , Jun Zhang , Ziqiang Cao , Yi Qin Gao , Guohong Fu

Large Language Models (LLMs) excel in general tasks, but adapting them to specialized domains relies on high-quality supervised fine-tuning (SFT) data. Although existing methods can identify subsets of high-quality data and reduce training…

Computation and Language · Computer Science 2025-10-17 Zhaoyang Shang , Sibo Wei , Jianbin Guo , Rui Zhou , Lifeng Dong , Yin Luo

Machine learning training methods depend plentifully and intricately on hyperparameters, motivating automated strategies for their optimisation. Many existing algorithms restart training for each new hyperparameter choice, at considerable…

Machine Learning · Computer Science 2022-04-22 Ross M. Clarke , Elre T. Oldewage , José Miguel Hernández-Lobato

Protein function annotation is an important yet challenging task in biology. Recent deep learning advancements show significant potential for accurate function prediction by learning from protein sequences and structures. Nevertheless,…

Biomolecules · Quantitative Biology 2024-02-14 Zuobai Zhang , Jiarui Lu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

We introduce a pioneering methodology for boosting large language models in the domain of protein representation learning. Our primary contribution lies in the refinement process for correlating the over-reliance on co-evolution knowledge,…

Artificial Intelligence · Computer Science 2024-12-05 Yaoyao Xu , Xinjian Zhao , Xiaozhuang Song , Benyou Wang , Tianshu Yu