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Protein-protein bindings play a key role in a variety of fundamental biological processes, and thus predicting the effects of amino acid mutations on protein-protein binding is crucial. To tackle the scarcity of annotated mutation data,…

Quantitative Methods · Quantitative Biology 2024-05-20 Lirong Wu , Yijun Tian , Haitao Lin , Yufei Huang , Siyuan Li , Nitesh V Chawla , Stan Z. Li

A fundamental objective in robot manipulation is to enable models to comprehend visual scenes and execute actions. Although existing Vision-Language-Action (VLA) models for robots can handle a range of basic tasks, they still face…

Computer Vision and Pattern Recognition · Computer Science 2024-12-17 Jiaming Liu , Mengzhen Liu , Zhenyu Wang , Pengju An , Xiaoqi Li , Kaichen Zhou , Senqiao Yang , Renrui Zhang , Yandong Guo , Shanghang Zhang

Efficient encoding and representation of large 3D molecular structures with high fidelity is critical for biomolecular design applications. Despite this, many representation learning approaches restrict themselves to modeling smaller…

Machine Learning · Computer Science 2025-04-10 Andrew Liu , Axel Elaldi , Nathan Russell , Olivia Viessmann

Activity and property prediction models are the central workhorses in drug discovery and materials sciences, but currently they have to be trained or fine-tuned for new tasks. Without training or fine-tuning, scientific language models…

Biomolecules · Quantitative Biology 2023-06-19 Philipp Seidl , Andreu Vall , Sepp Hochreiter , Günter Klambauer

In data-scarce scenarios, deep learning models often overfit to noise and irrelevant patterns, which limits their ability to generalize to unseen samples. To address these challenges in medical image segmentation, we introduce Diff-UMamba,…

Computer Vision and Pattern Recognition · Computer Science 2026-04-06 Dhruv Jain , Romain Modzelewski , Romain Herault , Clement Chatelain , Eva Torfeh , Sebastien Thureau

Age-related macular degeneration (AMD) is a leading cause of irreversible vision loss, making effective prognosis crucial for timely intervention. In this work, we propose AMD-Mamba, a novel multi-modal framework for AMD prognosis, and…

Image and Video Processing · Electrical Eng. & Systems 2025-08-06 Puzhen Wu , Mingquan Lin , Qingyu Chen , Emily Y. Chew , Zhiyong Lu , Yifan Peng , Hexin Dong

Proteins, essential to biological systems, perform functions intricately linked to their three-dimensional structures. Understanding the relationship between protein structures and their amino acid sequences remains a core challenge in…

Quantitative Methods · Quantitative Biology 2024-11-04 Liang He , Peiran Jin , Yaosen Min , Shufang Xie , Lijun Wu , Tao Qin , Xiaozhuan Liang , Kaiyuan Gao , Yuliang Jiang , Tie-Yan Liu

The Gene or DNA sequence in every cell does not control genetic properties on its own; Rather, this is done through translation of DNA into protein and subsequent formation of a certain 3D structure. The biological function of a protein is…

Computational Engineering, Finance, and Science · Computer Science 2019-05-30 Leila Khalatbari , Mohammad Reza Kangavari , Saeid Hosseini , Hongzhi Yin , Ngai-Man Cheung

MOTIVATION: Proteins fold into complex structures that are crucial for their biological functions. Experimental determination of protein structures is costly and therefore limited to a small fraction of all known proteins. Hence, different…

Biomolecules · Quantitative Biology 2018-04-18 David Menéndez Hurtado , Karolis Uziela , Arne Elofsson

Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…

Computation and Language · Computer Science 2021-11-01 Liang He , Shizhuo Zhang , Lijun Wu , Huanhuan Xia , Fusong Ju , He Zhang , Siyuan Liu , Yingce Xia , Jianwei Zhu , Pan Deng , Bin Shao , Tao Qin , Tie-Yan Liu

Many aspects of the study of protein folding and dynamics have been affected by the recent advances in machine learning. Methods for the prediction of protein structures from their sequences are now heavily based on machine learning tools.…

Biological Physics · Physics 2019-11-25 Frank Noé , Gianni De Fabritiis , Cecilia Clementi

Proteins play a pivotal role in biological systems. The use of machine learning algorithms for protein classification can assist and even guide biological experiments, offering crucial insights for biotechnological applications. We…

Quantitative Methods · Quantitative Biology 2024-10-24 Yizheng Wang , Yixiao Zhai , Yijie Ding , Quan Zou

Recent works have shown the remarkable superiority of transformer models in reinforcement learning (RL), where the decision-making problem is formulated as sequential generation. Transformer-based agents could emerge with self-improvement…

Machine Learning · Computer Science 2024-06-04 Sili Huang , Jifeng Hu , Zhejian Yang , Liwei Yang , Tao Luo , Hechang Chen , Lichao Sun , Bo Yang

In recent years, there has been a surge in the development of 3D structure-based pre-trained protein models, representing a significant advancement over pre-trained protein language models in various downstream tasks. However, most existing…

Machine Learning · Computer Science 2024-06-04 Jiale Zhao , Wanru Zhuang , Jia Song , Yaqi Li , Shuqi Lu

DNA barcodes are crucial in biodiversity analysis for building automatic identification systems that recognize known species and discover unseen species. Unlike human genome modeling, barcode-based invertebrate identification poses…

Machine Learning · Computer Science 2024-12-17 Tiancheng Gao , Graham W. Taylor

Multimodal Large Language Models (MLLMs) have attracted much attention for their multifunctionality. However, traditional Transformer architectures incur significant overhead due to their secondary computational complexity. To address this…

Computer Vision and Pattern Recognition · Computer Science 2024-08-22 Wenjun Huang , Jiakai Pan , Jiahao Tang , Yanyu Ding , Yifei Xing , Yuhe Wang , Zhengzhuo Wang , Jianguo Hu

In recent years machine learning (ML) took bio- and cheminformatics fields by storm, providing new solutions for a vast repertoire of problems related to protein sequence, structure, and interactions analysis. ML techniques, deep neural…

Biomolecules · Quantitative Biology 2020-03-31 Marta M. Stepniewska-Dziubinska , Piotr Zielenkiewicz , Pawel Siedlecki

As automation advances in manufacturing, the demand for precise and sophisticated defect detection technologies grows. Existing vision models for defect recognition methods are insufficient for handling the complexities and variations of…

Computer Vision and Pattern Recognition · Computer Science 2024-05-07 Qianning Wang , He Hu , Yucheng Zhou

Multimodal medical image fusion integrates complementary information from different imaging modalities to enhance diagnostic accuracy and treatment planning. While deep learning methods have advanced performance, existing approaches face…

Image and Video Processing · Electrical Eng. & Systems 2025-08-06 Meng Zhou , Farzad Khalvati

Enzyme mining is rapidly evolving as a data-driven strategy to identify biocatalysts with tailored functions from the vast landscape of uncharacterized proteins. The integration of machine learning into these workflows enables…

Biomolecules · Quantitative Biology 2025-07-11 Yanzi Zhang , Felix Moorhoff , Sizhe Qiu , Wenjuan Dong , David Medina-Ortiz , Jing Zhao , Mehdi D. Davari