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Cryo-EM reconstruction algorithms seek to determine a molecule's 3D density map from a series of noisy, unlabeled 2D projection images captured with an electron microscope. Although reconstruction algorithms typically model the 3D volume as…

Biomolecules · Quantitative Biology 2021-07-06 Ellen D. Zhong , Adam Lerer , Joseph H. Davis , Bonnie Berger

Recent contrastive multimodal vision-language models like CLIP have demonstrated robust open-world semantic understanding, becoming the standard image backbones for vision-language applications. However, recent findings suggest high…

Computer Vision and Pattern Recognition · Computer Science 2025-03-25 Mayug Maniparambil , Raiymbek Akshulakov , Yasser Abdelaziz Dahou Djilali , Sanath Narayan , Ankit Singh , Noel E. O'Connor

Vision-language (V+L) pretraining models have achieved great success in supporting multimedia applications by understanding the alignments between images and text. While existing vision-language pretraining models primarily focus on…

Computer Vision and Pattern Recognition · Computer Science 2022-05-02 Manling Li , Ruochen Xu , Shuohang Wang , Luowei Zhou , Xudong Lin , Chenguang Zhu , Michael Zeng , Heng Ji , Shih-Fu Chang

Comprehensive knowledge of protein-ligand interactions should provide a useful basis for annotating protein functions, studying protein evolution, engineering enzymatic activity, and designing drugs. To investigate the diversity and…

Biomolecules · Quantitative Biology 2009-02-11 Akira R. Kinjo , Haruki Nakamura

Protein-protein interactions (PPIs) are fundamental to numerous cellular processes, and their characterization is vital for understanding disease mechanisms and guiding drug discovery. While protein language models (PLMs) have demonstrated…

We introduce DiffFit, a differentiable algorithm for fitting protein atomistic structures into an experimental reconstructed Cryo-Electron Microscopy (cryo-EM) volume map. In structural biology, this process is necessary to…

Quantitative Methods · Quantitative Biology 2025-01-09 Deng Luo , Zainab Alsuwaykit , Dawar Khan , Ondřej Strnad , Tobias Isenberg , Ivan Viola

Current protein language models (PLMs) learn protein representations mainly based on their sequences, thereby well capturing co-evolutionary information, but they are unable to explicitly acquire protein functions, which is the end goal of…

Biomolecules · Quantitative Biology 2023-07-06 Minghao Xu , Xinyu Yuan , Santiago Miret , Jian Tang

The recent breakthrough of AlphaFold3 in modeling complex biomolecular interactions, including those between proteins and ligands, nucleotides, or metal ions, creates new opportunities for protein design. In so-called inverse protein…

Biomolecules · Quantitative Biology 2025-07-22 Kai Yi , Kiarash Jamali , Sjors H. W. Scheres

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

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

Proteins, as essential biomolecules, play a central role in biological processes, including metabolic reactions and DNA replication. Accurate prediction of their properties and functions is crucial in biological applications. Recent…

Computation and Language · Computer Science 2025-05-30 Wei Wu , Chao Wang , Liyi Chen , Mingze Yin , Yiheng Zhu , Kun Fu , Jieping Ye , Hui Xiong , Zheng Wang

Protein representation learning is a challenging task that aims to capture the structure and function of proteins from their amino acid sequences. Previous methods largely ignored the fact that not all amino acids are equally important for…

Machine Learning · Computer Science 2024-04-02 Ruijie Quan , Wenguan Wang , Fan Ma , Hehe Fan , Yi Yang

Intricate comparison between two given tertiary structures of proteins is as important as the comparison of their functions. Several algorithms have been devised to compute the similarity and dissimilarity among protein structures. But,…

Computational Geometry · Computer Science 2013-09-26 Ranjeet Kumar Rout , Pabitra Pal Choudhury , B. S. Daya Sagar , Sk. Sarif Hassan

We introduce a method to train vision-language models for remote-sensing images without using any textual annotations. Our key insight is to use co-located internet imagery taken on the ground as an intermediary for connecting…

Computer Vision and Pattern Recognition · Computer Science 2023-12-13 Utkarsh Mall , Cheng Perng Phoo , Meilin Kelsey Liu , Carl Vondrick , Bharath Hariharan , Kavita Bala

Effective protein representation learning is crucial for predicting protein functions. Traditional methods often pretrain protein language models on large, unlabeled amino acid sequences, followed by finetuning on labeled data. While…

Biomolecules · Quantitative Biology 2024-09-05 Jiangbin Zheng , Stan Z. Li

Vision and language models (VLMs) such as CLIP have showcased remarkable zero-shot recognition abilities yet face challenges in visio-linguistic compositionality, particularly in linguistic comprehension and fine-grained image-text…

Computer Vision and Pattern Recognition · Computer Science 2024-06-14 Youngtaek Oh , Pyunghwan Ahn , Jinhyung Kim , Gwangmo Song , Soonyoung Lee , In So Kweon , Junmo Kim

We propose a novel zero-shot approach for keypoint detection on 3D shapes. Point-level reasoning on visual data is challenging as it requires precise localization capability, posing problems even for powerful models like DINO or CLIP.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-10 Bingchen Gong , Diego Gomez , Abdullah Hamdi , Abdelrahman Eldesokey , Ahmed Abdelreheem , Peter Wonka , Maks Ovsjanikov

Proteins are macromolecules responsible for essential functions in almost all living organisms. Designing reasonable proteins with desired functions is crucial. A protein's sequence and structure are strongly correlated and they together…

Machine Learning · Computer Science 2024-01-10 Zhenqiao Song , Yunlong Zhao , Wenxian Shi , Yang Yang , Lei Li

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers…

Given usefulness of protein language models (LMs) in structure and functional inference, RNA LMs have received increased attentions in the last few years. However, these RNA models are often not compared against the same standard. Here, we…

Biomolecules · Quantitative Biology 2025-05-15 He Wang , Yikun Zhang , Jie Chen , Jian Zhan , Yaoqi Zhou
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