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Recent years have seen tremendous developments in the use of machine learning models to link amino acid sequence, structure and function of folded proteins. These methods are, however, rarely applicable to the wide range of proteins and…

Biomolecules · Quantitative Biology 2025-02-27 Sören von Bülow , Giulio Tesei , Kresten Lindorff-Larsen

The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for…

Biomolecules · Quantitative Biology 2024-05-14 Eunji Ko , Seul Lee , Minseon Kim , Dongki Kim

Machine learning models can assist with metamaterials design by approximating computationally expensive simulators or solving inverse design problems. However, past work has usually relied on black box deep neural networks, whose reasoning…

Machine Learning · Computer Science 2022-10-04 Zhi Chen , Alexander Ogren , Chiara Daraio , L. Catherine Brinson , Cynthia Rudin

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

Due to recent booming of UAVs technologies, these are being used in many fields involving complex tasks. Some of them involve a high risk to the vehicle driver, such as fire monitoring and rescue tasks, which make UAVs excellent for…

Neural and Evolutionary Computing · Computer Science 2024-02-12 Cristian Ramirez-Atencia , Gema Bello-Orgaz , Maria D R-Moreno , David Camacho

Fine-grained image classification is a challenging computer vision task where various species share similar visual appearances, resulting in misclassification if merely based on visual clues. Therefore, it is helpful to leverage additional…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Lingfeng Yang , Xiang Li , Renjie Song , Borui Zhao , Juntian Tao , Shihao Zhou , Jiajun Liang , Jian Yang

This article proposes a novel approach to statistical alignment of nucleotide sequences by introducing a context dependent structure on the substitution process in the underlying evolutionary model. We propose to estimate alignments and…

Statistics Theory · Mathematics 2011-07-18 Ana Arribas-Gil , Catherine Matias

Ultrasound imaging frequently encounters challenges, such as those related to elevated noise levels, diminished spatiotemporal resolution, and the complexity of anatomical structures. These factors significantly hinder the model's ability…

Image and Video Processing · Electrical Eng. & Systems 2025-01-14 Xiaoxian Yang , Qi Wang , Kaiqi Zhang , Ke Wei , Jun Lyu , Lingchao Chen

Proteins are essential component of human life and their structures are important for function and mechanism analysis. Recent work has shown the potential of AI-driven methods for protein structure prediction. However, the development of…

Sequence parallelism (SP), which divides the sequence dimension of input tensors across multiple computational devices, is becoming key to unlocking the long-context capabilities of generative AI models. This paper investigates the…

Machine Learning · Computer Science 2024-07-03 Jiarui Fang , Shangchun Zhao

Accurate detection and segmentation of anatomical structures from ultrasound images are crucial for clinical diagnosis and biometric measurements. Although ultrasound imaging has been widely used with superiorities such as low cost and…

Computer Vision and Pattern Recognition · Computer Science 2016-07-08 Hao Chen , Yefeng Zheng , Jin-Hyeong Park , Pheng-Ann Heng , S. Kevin Zhou

The limits of molecular dynamics (MD) simulations of macromolecules are steadily pushed forward by the relentless developments of computer architectures and algorithms. This explosion in the number and extent (in size and time) of MD…

Data augmentation techniques play an important role in enhancing the performance of deep learning models. Despite their proven benefits in computer vision tasks, their application in the other domains remains limited. This paper proposes a…

Machine Learning · Computer Science 2024-01-23 Yousef El-Laham , Elizabeth Fons , Dillon Daudert , Svitlana Vyetrenko

A new method for the Automated Protein Structure Analysis (APSA) is derived, which simplifies the protein backbone to a smooth curve in 3-dimensional space. For the purpose of obtaining this smooth line each amino acid is represented by its…

Quantitative Methods · Quantitative Biology 2008-11-24 Sushilee Raganathan , Dmitry Izotov , Elfi Kraka , Dieter Cremer

Large Language Models (LLMs) have become pivotal in advancing the field of artificial intelligence, yet their immense sizes pose significant challenges for both fine-tuning and deployment. Current post-training pruning methods, while…

Computation and Language · Computer Science 2024-05-28 Xudong Lu , Aojun Zhou , Yuhui Xu , Renrui Zhang , Peng Gao , Hongsheng Li

The aim of this study was to develop a method that would identify the cluster centroids and the optimal number of clusters for a given sensitivity level and could work equally well for the different sequence datasets. A novel method that…

Genomics · Quantitative Biology 2023-12-01 Manal Helal , Fanrong Kong , Sharon C-A Chen , Fei Zhou , Dominic E Dwyer , John Potter , Vitali Sintchenko

While UWB-based methods can achieve high localization accuracy in small-scale areas, their accuracy and reliability are significantly challenged in large-scale environments. In this paper, we propose a learning-based framework named ULOC…

Robotics · Computer Science 2024-09-18 Thien-Minh Nguyen , Yizhuo Yang , Tien-Dat Nguyen , Shenghai Yuan , Lihua Xie

Robotic and animal mapping systems share many of the same objectives and challenges, but differ in one key aspect: where much of the research in robotic mapping has focused on solving the data association problem, the grid cell neurons…

Computer Vision and Pattern Recognition · Computer Science 2018-10-24 Huu Le , Michael Milford

While deep learning has revolutionized the prediction of rigid protein structures, modelling the conformational ensembles of Intrinsically Disordered Proteins (IDPs) remains a key frontier. Current AI paradigms present a trade-off: Protein…

Biomolecules · Quantitative Biology 2025-12-19 Eoin Quinn , Marco Carobene , Jean Quentin , Sebastien Boyer , Miguel Arbesú , Oliver Bent

Molecular Dynamics (MD) simulations are fundamental computational tools for the study of proteins and their free energy landscapes. However, sampling protein conformational changes through MD simulations is challenging due to the relatively…

Biomolecules · Quantitative Biology 2023-07-20 Diego E. Kleiman , Hassan Nadeem , Diwakar Shukla