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Current pharmaceutical formulation development still strongly relies on the traditional trial-and-error approach by individual experiences of pharmaceutical scientists, which is laborious, time-consuming and costly. Recently, deep learning…

Machine Learning · Computer Science 2018-12-05 Yilong Yang , Zhuyifan Ye , Yan Su , Qianqian Zhao , Xiaoshan Li , Defang Ouyang

Edge deep learning, a paradigm change reconciling edge computing and deep learning, facilitates real-time decision making attuned to environmental factors through the close integration of computational resources and data sources. Here we…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Yiwen Xu , Tariq M. Khan , Yang Song , Erik Meijering

Deep Learning has shown great success in reshaping medical imaging, yet it faces numerous challenges hindering widespread application. Issues like catastrophic forgetting and distribution shifts in the continuously evolving data stream…

Computer Vision and Pattern Recognition · Computer Science 2024-10-02 Mohammad Areeb Qazi , Anees Ur Rehman Hashmi , Santosh Sanjeev , Ibrahim Almakky , Numan Saeed , Camila Gonzalez , Mohammad Yaqub

Face recognition is a rapidly developing and widely applied aspect of biometric technologies. Its applications are broad, ranging from law enforcement to consumer applications, and industry efficiency and monitoring solutions. The recent…

Computer Vision and Pattern Recognition · Computer Science 2019-07-31 Andrew Jason Shepley

Data is evolving with the rapid progress of population and communication for various types of devices such as networks, cloud computing, Internet of Things (IoT), actuators, and sensors. The increment of data and communication content goes…

Machine Learning · Computer Science 2021-02-05 Swarajya Lakshmi V Papineni , Snigdha Yarlagadda , Harita Akkineni , A. Mallikarjuna Reddy

With the development of computer-assisted techniques, research communities including biochemistry and deep learning have been devoted into the drug discovery field for over a decade. Various applications of deep learning have drawn great…

Machine Learning · Computer Science 2023-03-07 Wenhao Hu , Yingying Liu , Xuanyu Chen , Wenhao Chai , Hangyue Chen , Hongwei Wang , Gaoang Wang

The past years have seen a considerable increase in cancer cases. However, a cancer diagnosis is often complex and depends on the types of images provided for analysis. It requires highly skilled practitioners but is often time-consuming…

Image and Video Processing · Electrical Eng. & Systems 2022-10-24 Solene Bechelli

Technological advances have enabled the generation of unique and complementary types of data or views (e.g. genomics, proteomics, metabolomics) and opened up a new era in multiview learning research with the potential to lead to new…

Machine Learning · Computer Science 2024-02-19 Hengkang Wang , Han Lu , Ju Sun , Sandra E Safo

The impact of Transformer-based language models has been unprecedented in Natural Language Processing (NLP). The success of such models has also led to their adoption in other fields including bioinformatics. Taking this into account, this…

Machine Learning · Computer Science 2025-07-21 Nimisha Ghosh , Daniele Santoni , Debaleena Nawn , Eleonora Ottaviani , Giovanni Felici

Accurate predictions of peptide retention times (RT) in liquid chromatography have many applications in mass spectrometry-based proteomics. Herein, we present DeepRT, a deep learning based software for peptide retention time prediction.…

Quantitative Methods · Quantitative Biology 2017-05-17 Chunwei Ma , Zhiyong Zhu , Jun Ye , Jiarui Yang , Jianguo Pei , Shaohang Xu , Ruo Zhou , Chang Yu , Fan Mo , Bo Wen , Siqi Liu

Large language models (LLMs) have garnered considerable attention for their proficiency in tackling intricate tasks, particularly leveraging their capacities for zero-shot and in-context learning. However, their utility has been…

Biomolecules · Quantitative Biology 2024-05-14 Yiqing Shen , Outongyi Lv , Houying Zhu , Yu Guang Wang

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

Quantitative Methods · Quantitative Biology 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Medical image analysis has emerged as an essential element of contemporary healthcare, facilitating physicians in achieving expedited and precise diagnosis. Recent breakthroughs in deep learning, a subset of artificial intelligence, have…

Image and Video Processing · Electrical Eng. & Systems 2024-11-06 Aimina Ali Eli , Abida Ali

Deep learning has allowed a paradigm shift in pattern recognition, from using hand-crafted features together with statistical classifiers to using general-purpose learning procedures for learning data-driven representations, features, and…

Computer Vision and Pattern Recognition · Computer Science 2018-03-30 Javier Ruiz-del-Solar , Patricio Loncomilla , Naiomi Soto

Deep learning is currently being hyped as an almost magical tool for solving all kinds of difficult problems that computers have not been able to solve in the past. Particularly in the fields of computer vision and natural language…

Computational Physics · Physics 2024-05-01 Peter R. Wiecha

The natural world is full of complex systems characterized by intricate relations between their components: from social interactions between individuals in a social network to electrostatic interactions between atoms in a protein.…

Machine Learning · Computer Science 2024-02-23 Mathilde Papillon , Sophia Sanborn , Mustafa Hajij , Nina Miolane

Deep learning continues to revolutionize an ever-growing number of critical application areas including healthcare, transportation, finance, and basic sciences. Despite their increased predictive power, model transparency and human…

Machine Learning · Computer Science 2020-04-28 Benjamin Shickel , Parisa Rashidi

While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…

Biomolecules · Quantitative Biology 2023-07-10 Jose Gavaldá-Garciá , Bas Stringer , Olga Ivanova , Sanne Abeln , K. Anton Feenstra , Halima Mouhib

Proteins are the main workhorses of biological functions in a cell, a tissue, or an organism. Identification and quantification of proteins in a given sample, e.g. a cell type under normal/disease conditions, are fundamental tasks for the…

Computational Engineering, Finance, and Science · Computer Science 2017-10-10 Ngoc Hieu Tran , Zachariah Levine , Lei Xin , Baozhen Shan , Ming Li

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang