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The process monitoring task is characterized by stringent demands for accuracy and efficiency. Current transformer-based methods, characterized by self-attention for temporal fusion, exhibit limitations in accurately understanding the…

Artificial Intelligence · Computer Science 2026-01-06 Hao Wang , Zhichao Chen , Licheng Pan , Xiaoyu Jiang , Yichen Song , Qunshan He , Xinggao Liu

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based…

Among these, D-peptides are resistant to proteolysis, exhibit greater in vivo stability, and are easier to synthesize. Despite advances in deep learning for peptide discovery, the scarcity of natural D-protein data limits the transfer of…

Computational Engineering, Finance, and Science · Computer Science 2026-05-04 Fang Wu , Shuting Jin , Xiangru Tang , Junlin Xu , Mark Gerstein , James Zou

Bayesian network models are finding success in characterizing enzyme-catalyzed reactions, slow conformational changes, predicting enzyme inhibition, and genomics. In this work, we apply them to statistical modeling of peptides by…

Applications · Statistics 2018-10-09 Rainier Barrett , Shaoyi Jiang , Andrew D White

Automatic detection of leukemic B-lymphoblast cancer in microscopic images is very challenging due to the complicated nature of histopathological structures. To tackle this issue, an automatic and robust diagnostic system is required for…

Image and Video Processing · Electrical Eng. & Systems 2019-09-27 Sara Hosseinzadeh Kassani , Peyman Hosseinzadeh kassani , Michal J. Wesolowski , Kevin A. Schneider , Ralph Deters

Mammography images are widely used to detect non-palpable breast lesions or nodules, preventing cancer and providing the opportunity to plan interventions when necessary. The identification of some structures of interest is essential to…

Image and Video Processing · Electrical Eng. & Systems 2023-07-21 Cesar A. Sierra-Franco , Jan Hurtado , Victor de A. Thomaz , Leonardo C. da Cruz , Santiago V. Silva , Alberto B. Raposo

Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity prediction, their accuracy is still limited, partially because…

Biomolecules · Quantitative Biology 2024-09-04 Yaosen Min , Ye Wei , Peizhuo Wang , Xiaoting Wang , Han Li , Nian Wu , Stefan Bauer , Shuxin Zheng , Yu Shi , Yingheng Wang , Ji Wu , Dan Zhao , Jianyang Zeng

Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

Deep learning holds a big promise for optimizing existing peptides with more desirable properties, a critical step towards accelerating new drug discovery. Despite the recent emergence of several optimized Antimicrobial peptides(AMP)…

Quantitative Methods · Quantitative Biology 2024-06-06 Li Wang , Xiangzheng Fu , Jiahao Yang , Xinyi Zhang , Xiucai Ye , Yiping Liu , Tetsuya Sakurai , Xiangxiang Zeng

Traditional non-biological storage media, such as hard drives, face limitations in both storage density and lifespan due to the rapid growth of data in the big data era. Mirror-image peptides composed of D-amino acids have emerged as a…

Quantitative Methods · Quantitative Biology 2026-02-09 Yilong Lu , Si Chen , Songyan Gao , Han Liu , Xin Dong , Wenfeng Shen , Guangtai Ding

Machine Learning algorithms are good tools for both classification and prediction purposes. These algorithms can further be used for scientific discoveries from the enormous data being collected in our era. We present ways of discovering…

Instrumentation and Methods for Astrophysics · Physics 2021-02-26 Shraddha Surana , Yogesh Wadadekar , Divya Oberoi

Continuous and global detection of large methane emissions is a crucial step for global warming mitigation. Satellite observations, such as from S5P/TROPOMI, combined with plume detection algorithms, can play a key role in this effort.…

Machine Learning · Computer Science 2026-05-27 Solomiia Kurchaba , Joannes D. Maasakkers , Berend J. Schuit , Ilse Aben

Continuous photoplethysmography (PPG)-based blood pressure monitoring is necessary for healthcare and fitness applications. In Artificial Intelligence (AI), signal classification levels with the machine and deep learning arrangements need…

Computer Vision and Pattern Recognition · Computer Science 2024-05-24 Nida Nasir , Mustafa Sameer , Feras Barneih , Omar Alshaltone , Muneeb Ahmed

A deeper understanding of the drivers of evapotranspiration and the modelling of its constituent parts (evaporation and transpiration) could be of significant importance to the monitoring and management of water resources globally over the…

Machine Learning · Computer Science 2022-05-02 Adam Stapleton , Elke Eichelmann , Mark Roantree

Quantitative phase imaging (QPI) has been widely applied in characterizing cells and tissues. Spatial light interference microscopy (SLIM) is a highly sensitive QPI method, due to its partially coherent illumination and common path…

Image and Video Processing · Electrical Eng. & Systems 2024-06-12 Yuheng Jiao , Yuchen R. He , Mikhail E. Kandel , Xiaojun Liu , Wenlong Lu , Gabriel Popescu

Purpose: To determine whether deep learning models can distinguish between breast cancer molecular subtypes based on dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). Materials and methods: In this institutional review…

Computer Vision and Pattern Recognition · Computer Science 2017-12-01 Zhe Zhu , Ehab Albadawy , Ashirbani Saha , Jun Zhang , Michael R. Harowicz , Maciej A. Mazurowski

Identifying molecules from mass spectrometry (MS) data remains a fundamental challenge due to the semantic gap between physical spectral peaks and underlying chemical structures. Existing deep learning approaches often treat spectral…

Machine Learning · Computer Science 2026-02-03 Seunghyun Yoo , Sanghong Kim , Namkyung Yoon , Hwangnam Kim

We have adapted a set of classification algorithms, also known as Machine Learning, to the identification of fluid and gel domains close to the main transition of dipalmitoyl-phosphatidylcholine (DPPC) bilayers. Using atomistic molecular…

Soft Condensed Matter · Physics 2023-07-19 Viven Walter , Céline Ruscher , Olivier Benzerara , Carlos M. Marques , Fabrice Thalmann

Laser cutting is a widely adopted technology in material processing across various industries, but it generates a significant amount of dust, smoke, and aerosols during operation, posing a risk to both the environment and workers' health.…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Mohamed Abdallah Salem , Hamdy Ahmed Ashur , Ahmed Elshinnawy

Structural biology has made significant progress in determining membrane proteins, leading to a remarkable increase in the number of available structures in dedicated databases. The inherent complexity of membrane protein structures,…