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The prediction of protein structures from sequences is an important task for function prediction, drug design, and related biological processes understanding. Recent advances have proved the power of language models (LMs) in processing the…

Quantitative Methods · Quantitative Biology 2022-12-01 Bozhen Hu , Jun Xia , Jiangbin Zheng , Cheng Tan , Yufei Huang , Yongjie Xu , Stan Z. Li

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

Vision-language pretraining on large datasets of images-text pairs is one of the main building blocks of current Vision-Language Models. While with additional training, these models excel in various downstream tasks, including visual…

Computer Vision and Pattern Recognition · Computer Science 2025-05-06 Madhukar Reddy Vongala , Saurabh Srivastava , Jana Košecká

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen

In this work, we propose a simple method that applies a large language model (LLM) to large-scale retrieval in zero-shot scenarios. Our method, the Language language model as Retriever (LameR), is built upon no other neural models but an…

Computation and Language · Computer Science 2023-08-03 Tao Shen , Guodong Long , Xiubo Geng , Chongyang Tao , Tianyi Zhou , Daxin Jiang

Recent deep learning-based methods for lossy image compression achieve competitive rate-distortion performance through extensive end-to-end training and advanced architectures. However, emerging applications increasingly prioritize semantic…

Computer Vision and Pattern Recognition · Computer Science 2025-09-09 Ruiqi Shen , Haotian Wu , Wenjing Zhang , Jiangjing Hu , Deniz Gunduz

This paper proposes Comprehensive Pathology Language Image Pre-training (CPLIP), a new unsupervised technique designed to enhance the alignment of images and text in histopathology for tasks such as classification and segmentation. This…

Computer Vision and Pattern Recognition · Computer Science 2024-06-11 Sajid Javed , Arif Mahmood , Iyyakutti Iyappan Ganapathi , Fayaz Ali Dharejo , Naoufel Werghi , Mohammed Bennamoun

Vision-language foundation models such as CLIP have shown impressive zero-shot performance on many tasks and datasets, especially thanks to their free-text inputs. However, they struggle to handle some downstream tasks, such as fine-grained…

Computer Vision and Pattern Recognition · Computer Science 2023-07-14 Denis Coquenet , Clément Rambour , Emanuele Dalsasso , Nicolas Thome

Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with…

Quantitative Methods · Quantitative Biology 2025-02-28 Taylor A Phillips , Alejandro W. Huskey , Patrick T. Huskey , Seth L. Robia , Peter M. Kekenes-Huskey

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid…

Machine Learning · Computer Science 2023-01-31 Zuobai Zhang , Minghao Xu , Arian Jamasb , Vijil Chenthamarakshan , Aurelie Lozano , Payel Das , Jian Tang

Recognizing and disentangling visual attributes from objects is a foundation to many computer vision applications. While large vision language representations like CLIP had largely resolved the task of zero-shot object recognition,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-03 William Yicheng Zhu , Keren Ye , Junjie Ke , Jiahui Yu , Leonidas Guibas , Peyman Milanfar , Feng Yang

Background:Prediction of protein three-dimensional structures from amino acid sequences is a long-standing goal in computational/molecular biology. The successful discrimination of protein folds would help to improve the accuracy of protein…

Biomolecules · Quantitative Biology 2007-05-23 Y-h. Taguchi , M. Michael Gromiha

Structure determination is key to understanding protein function at a molecular level. Whilst significant advances have been made in predicting structure and function from amino acid sequence, researchers must still rely on expensive,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-01 Alexander Hudson , Shaogang Gong

Despite recent advances in protein-ligand structure prediction, deep learning methods remain limited in their ability to accurately predict binding affinities, particularly for novel protein targets dissimilar from the training set. In…

Quantitative Methods · Quantitative Biology 2025-12-04 Michael Brocidiacono , James Wellnitz , Konstantin I. Popov , Alexander Tropsha

Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Xiao Fei , Michail Chatzianastasis , Sarah Almeida Carneiro , Hadi Abdine , Lawrence P. Petalidis , Michalis Vazirgiannis

Unlike the predictable scaling laws in natural language processing and computer vision, protein language models (PLMs) scale poorly: for many tasks, models within the same family plateau or even decrease in performance, with mid-sized…

Machine Learning · Computer Science 2026-03-10 Darius Catrina , Christian Bepler , Samuel Sledzieski , Rohit Singh

Modern Protein Language Models (PLMs) apply transformer-based model architectures from natural language processing to biological sequences, predicting a variety of protein functions and properties. However, protein language has key…

Machine Learning · Computer Science 2026-02-25 Anna Hart , Chi Han , Jeonghwan Kim , Huimin Zhao , Heng Ji

A basic assumption of molecular biology is that proteins sharing close three-dimensional (3D) structures are likely to share a common function and in most cases derive from a same ancestor. Computing the similarity between two protein…

Quantitative Methods · Quantitative Biology 2009-02-02 Noël Malod-Dognin , Rumen Andonov , Nicola Yanev

With the immense growth of dataset sizes and computing resources in recent years, so-called foundation models have become popular in NLP and vision tasks. In this work, we propose to explore foundation models for the task of keypoint…

Computer Vision and Pattern Recognition · Computer Science 2024-03-28 Thomas Wimmer , Peter Wonka , Maks Ovsjanikov

Protein-protein interactions are fundamental to many biological processes. Experimental screens have identified tens of thousands of interactions and structural biology has provided detailed functional insight for select 3D protein…

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