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For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield…

Machine Learning · Computer Science 2020-12-02 Pascal Sturmfels , Jesse Vig , Ali Madani , Nazneen Fatema Rajani

Supervised fine-tuning (SFT) is a fundamental post-training strategy to align Large Language Models (LLMs) with human intent. However, traditional SFT often ignores the one-to-many nature of language by forcing alignment with a single…

Computation and Language · Computer Science 2026-05-07 Tao Liu , Taiqiang Wu , Runming Yang , Shaoning Sun , Junjie Wang , Yujiu Yang

Foundation models have recently gained attention within the field of machine learning thanks to its efficiency in broad data processing. While researchers had attempted to extend this success to time series models, the main challenge is…

Machine Learning · Computer Science 2023-11-22 Trang H. Tran , Lam M. Nguyen , Kyongmin Yeo , Nam Nguyen , Roman Vaculin

Every data selection method inherently has a target. In practice, these targets often emerge implicitly through benchmark-driven iteration: researchers develop selection strategies, train models, measure benchmark performance, then refine…

Learning to adapt pretrained language models to unlabeled, out-of-distribution data is a critical challenge, as models often falter on structurally novel reasoning tasks even while excelling within their training distribution. We introduce…

Computation and Language · Computer Science 2025-05-29 Mohammad Mahdi Moradi , Hossam Amer , Sudhir Mudur , Weiwei Zhang , Yang Liu , Walid Ahmed

Deploying models on target domain data subject to distribution shift requires adaptation. Test-time training (TTT) emerges as a solution to this adaptation under a realistic scenario where access to full source domain data is not available,…

Machine Learning · Computer Science 2023-03-21 Yongyi Su , Xun Xu , Tianrui Li , Kui Jia

Predicting the biophysical and functional properties of proteins is essential for in silico protein design. Machine learning has emerged as a promising technique for such prediction tasks. However, the relative scarcity of in vitro…

Machine Learning · Computer Science 2025-07-17 Jacob Beck , Shikha Surana , Manus McAuliffe , Oliver Bent , Thomas D. Barrett , Juan Jose Garau Luis , Paul Duckworth

Computational models that accurately predict the binding affinity of an input protein-chemical pair can accelerate drug discovery studies. These models are trained on available protein-chemical interaction datasets, which may contain…

Quantitative Methods · Quantitative Biology 2023-01-10 Rıza Özçelik , Alperen Bağ , Berk Atıl , Melih Barsbey , Arzucan Özgür , Elif Özkırımlı

Proteins are complex molecules responsible for different functions in nature. Enhancing the functionality of proteins and cellular fitness can significantly impact various industries. However, protein optimization using computational…

Machine Learning · Computer Science 2024-05-30 Minji Lee , Luiz Felipe Vecchietti , Hyunkyu Jung , Hyun Joo Ro , Meeyoung Cha , Ho Min Kim

We propose ProtLLM, a versatile cross-modal large language model (LLM) for both protein-centric and protein-language tasks. ProtLLM features a unique dynamic protein mounting mechanism, enabling it to handle complex inputs where the natural…

Biomolecules · Quantitative Biology 2024-03-14 Le Zhuo , Zewen Chi , Minghao Xu , Heyan Huang , Heqi Zheng , Conghui He , Xian-Ling Mao , Wentao Zhang

Large language models (LLMs) have achieved remarkable progress, with post-training playing a crucial role in enhancing their reasoning capabilities. Among post-training paradigms, supervised fine-tuning (SFT) is widely used: it leverages…

Computation and Language · Computer Science 2026-05-27 Lisong Sun , Li Wang , Chen Zhang , Jinyang Wu , Kui Zhang , Tianhao Peng , Wenjun Wu

Protein engineering is an emerging field in biotechnology that has the potential to revolutionize various areas, such as antibody design, drug discovery, food security, ecology, and more. However, the mutational space involved is too vast…

Biomolecules · Quantitative Biology 2023-07-28 Yuchi Qiu , Guo-Wei Wei

Tokenization is a promising path to multi-modal models capable of jointly understanding protein sequences, structure, and function. Existing protein structure tokenizers create tokens by pooling information from local neighborhoods, an…

Machine Learning · Computer Science 2026-02-09 Rohit Dilip , Ayush Varshney , David Van Valen

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

We consider the problem of improving the human instance segmentation mask quality for a given test image using keypoints estimation. We compare two alternative approaches. The first approach is a test-time adaptation (TTA) method, where we…

Computer Vision and Pattern Recognition · Computer Science 2022-12-14 Kambiz Azarian , Debasmit Das , Hyojin Park , Fatih Porikli

Understanding the relationships between protein sequence, structure and function is a long-standing biological challenge with manifold implications from drug design to our understanding of evolution. Recently, protein language models have…

Quantitative Methods · Quantitative Biology 2024-01-29 Dexiong Chen , Philip Hartout , Paolo Pellizzoni , Carlos Oliver , Karsten Borgwardt

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance…

Biomolecules · Quantitative Biology 2026-03-03 Shuo Yan , Yuliang Yan , Bin Ma , Chenao Li , Haochun Tang , Jiahua Lu , Minhua Lin , Yuyuan Feng , Enyan Dai

Motivation: Proteins are of great significance in living organisms. However, understanding their functions encounters numerous challenges, such as insufficient integration of multimodal information, a large number of training parameters,…

Machine Learning · Computer Science 2025-05-23 Zhicong Wang , Zicheng Ma , Ziqiang Cao , Changlong Zhou , Jun Zhang , Yiqin Gao

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…

Quantitative Methods · Quantitative Biology 2024-12-10 Bo Chen , Xingyi Cheng , Pan Li , Yangli-ao Geng , Jing Gong , Shen Li , Zhilei Bei , Xu Tan , Boyan Wang , Xin Zeng , Chiming Liu , Aohan Zeng , Yuxiao Dong , Jie Tang , Le Song

There are growing interests in adapting large-scale language models using parameter-efficient fine-tuning methods. However, accelerating the model itself and achieving better inference efficiency through model compression has not been…