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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

Protein language models often take into consideration the alignment between a protein sequence and its textual description. However, they do not take structural information into consideration. Traditional methods treat sequence and…

Machine Learning · Computer Science 2026-03-10 Aditya Ranganath , Hasin Us Sami , Kowshik Thopalli , Bhavya Kailkhura , Wesam Sakla

Graphs as a type of data structure have recently attracted significant attention. Representation learning of geometric graphs has achieved great success in many fields including molecular, social, and financial networks. It is natural to…

Machine Learning · Computer Science 2021-07-08 Tian Xia , Wei-Shinn Ku

Protein representation learning aims to learn informative protein embeddings capable of addressing crucial biological questions, such as protein function prediction. Although sequence-based transformer models have shown promising results by…

Quantitative Methods · Quantitative Biology 2024-10-22 Michail Chatzianastasis , Yang Zhang , George Dasoulas , Michalis Vazirgiannis

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

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein functions. Recent sequence representation learning methods based on Protein Language Models (PLMs) excel in sequence-based…

Quantitative Methods · Quantitative Biology 2023-10-19 Zuobai Zhang , Chuanrui Wang , Minghao Xu , Vijil Chenthamarakshan , Aurélie Lozano , Payel Das , Jian Tang

Recent advances in 3D perception have shown impressive progress in understanding geometric structures of 3Dshapes and even scenes. Inspired by these advances in geometric understanding, we aim to imbue image-based perception with…

Computer Vision and Pattern Recognition · Computer Science 2021-12-21 Ji Hou , Saining Xie , Benjamin Graham , Angela Dai , Matthias Nießner

The increasing number of protein sequences decoded from genomes is opening up new avenues of research on linking protein sequence to function with transformer neural networks. Recent research has shown that the number of known protein…

Machine Learning · Computer Science 2022-06-23 Anowarul Kabir , Amarda Shehu

While supervised learning has enabled great progress in many applications, unsupervised learning has not seen such widespread adoption, and remains an important and challenging endeavor for artificial intelligence. In this work, we propose…

Machine Learning · Computer Science 2019-01-23 Aaron van den Oord , Yazhe Li , Oriol Vinyals

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

Contrastive learning has demonstrated great success in representation learning, especially for image classification tasks. However, there is still a shortage in studies targeting regression tasks, and more specifically applications on…

Computer Vision and Pattern Recognition · Computer Science 2026-02-12 Mohamad Dhaini , Paul Honeine , Maxime Berar , Antonin Van Exem

Proteins are fundamental biological entities that play a key role in life activities. The amino acid sequences of proteins can be folded into stable 3D structures in the real physicochemical world, forming a special kind of…

Machine Learning · Computer Science 2023-01-04 Lirong Wu , Yufei Huang , Haitao Lin , Stan Z. Li

This paper addresses the challenges in representation learning of 3D shape features by investigating state-of-the-art backbones paired with both contrastive supervised and self-supervised learning objectives. Computer vision methods…

Computer Vision and Pattern Recognition · Computer Science 2025-10-24 Márcus Vinícius Lobo Costa , Sherlon Almeida da Silva , Bárbara Caroline Benato , Leo Sampaio Ferraz Ribeiro , Moacir Antonelli Ponti

In neutrino physics, analyses often depend on large simulated datasets, making it essential for models to generalise effectively to real-world detector data. Contrastive learning, a well-established technique in deep learning, offers a…

High Energy Physics - Experiment · Physics 2025-05-23 Alex Wilkinson , Radi Radev , Saul Alonso-Monsalve

Protein representation learning plays a crucial role in understanding the structure and function of proteins, which are essential biomolecules involved in various biological processes. In recent years, deep learning has emerged as a…

Biomolecules · Quantitative Biology 2024-03-11 Bozhen Hu , Cheng Tan , Lirong Wu , Jiangbin Zheng , Jun Xia , Zhangyang Gao , Zicheng Liu , Fandi Wu , Guijun Zhang , Stan Z. Li

Protein structure-based property prediction has emerged as a promising approach for various biological tasks, such as protein function prediction and sub-cellular location estimation. The existing methods highly rely on experimental protein…

Machine Learning · Computer Science 2023-10-20 Yufei Huang , Siyuan Li , Jin Su , Lirong Wu , Odin Zhang , Haitao Lin , Jingqi Qi , Zihan Liu , Zhangyang Gao , Yuyang Liu , Jiangbin Zheng , Stan. ZQ. Li

Geometric deep learning has recently achieved great success in non-Euclidean domains, and learning on 3D structures of large biomolecules is emerging as a distinct research area. However, its efficacy is largely constrained due to the…

Machine Learning · Computer Science 2023-10-31 Fang Wu , Lirong Wu , Dragomir Radev , Jinbo Xu , Stan Z. Li

In this paper we address the problem of protein classification starting from a multi-view 2D representation of proteins. From each 3D protein structure, a large set of 2D projections is generated using the protein visualization software…

Computer Vision and Pattern Recognition · Computer Science 2019-10-30 Loris Nanni , Alessandra Lumini , Federica Pasquali , Sheryl Brahnam

Estimating correspondences between pairs of non-rigid deformable 3D shapes remains a significant challenge in computer vision and graphics. While deep functional map methods have become the go-to solution for addressing this problem, they…

Computer Vision and Pattern Recognition · Computer Science 2026-03-20 Feifan Luo , Hongyang Chen

Contrastive learning has demonstrated great effectiveness in representation learning especially for image classification tasks. However, there is still a shortage in the studies targeting regression tasks, and more specifically applications…

Computer Vision and Pattern Recognition · Computer Science 2024-03-27 Mohamad Dhaini , Maxime Berar , Paul Honeine , Antonin Van Exem
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