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The rapid advancements in artificial intelligence (AI) have revolutionized smart healthcare, driving innovations in wearable technologies, continuous monitoring devices, and intelligent diagnostic systems. However, security, explainability,…

Machine Learning · Computer Science 2024-10-02 Prasenjit Maji , Amit Kumar Mondal , Hemanta Kumar Mondal , Saraju P. Mohanty

Deep learning is an advanced technology that relies on large-scale data and complex models for feature extraction and pattern recognition. It has been widely applied across various fields, including computer vision, natural language…

Genomics · Quantitative Biology 2024-12-24 Yindan Luo , Jiaxin Cai

Predicting protein function from sequence is a central challenge in computational biology. While existing methods rely heavily on structured ontologies or similarity-based techniques, they often lack the flexibility to express…

Computational Engineering, Finance, and Science · Computer Science 2025-10-27 Xiao Fei , Michail Chatzianastasis , Sarah Almeida Carneiro , Hadi Abdine , Lawrence P. Petalidis , Michalis Vazirgiannis

Under Frequency Fitness Assignment (FFA), the fitness corresponding to an objective value is its encounter frequency in fitness assignment steps and is subject to minimization. FFA renders optimization processes invariant under bijective…

Neural and Evolutionary Computing · Computer Science 2020-10-19 Thomas Weise , Zhize Wu , Xinlu Li , Yan Chen

The inherent behavioral variability exhibited by stochastic biochemical systems makes it a challenging task for human experts to manually analyze them. Computational modeling of such systems helps in investigating and predicting the…

Quantitative Methods · Quantitative Biology 2020-01-14 Arfeen Khalid

Since the beginning of the 21st century, the size, breadth, and granularity of data in biology and medicine has grown rapidly. In the example of neuroscience, studies with thousands of subjects are becoming more common, which provide…

This series presents an approach to mathematical biology which makes precise the function of biological molecules. Because biological systems compute, the theory is a general purpose computer language. I build a language for efficiently…

Molecular Networks · Quantitative Biology 2007-05-23 Ron Maimon

Diffusion-based network models are widely used for protein function prediction using protein network data and have been shown to outperform neighborhood- and module-based methods. Recent studies have shown that integrating the hierarchical…

Molecular Networks · Quantitative Biology 2016-05-24 Biaobin Jiang , Kyle Kloster , David F. Gleich , Michael Gribskov

Feature selection plays a pivotal role in the data preprocessing and model-building pipeline, significantly enhancing model performance, interpretability, and resource efficiency across diverse domains. In population-based optimization…

Machine Learning · Computer Science 2024-08-20 Sevil Zanjani Miyandoab , Shahryar Rahnamayan , Azam Asilian Bidgoli , Sevda Ebrahimi , Masoud Makrehchi

Quantitative measurements produced by mass spectrometry proteomics experiments offer a direct way to explore the role of proteins in molecular mechanisms. However, analysis of such data is challenging due to the large proportion of missing…

Methodology · Statistics 2025-01-22 Haeun Moon , Jin-Hong Du , Jing Lei , Kathryn Roeder

As protein informatics advances rapidly, the demand for enhanced predictive accuracy, structural analysis, and functional understanding has intensified. Transformer models, as powerful deep learning architectures, have demonstrated…

Machine Learning · Computer Science 2025-05-28 Xiaowen Ling , Zhiqiang Li , Yanbin Wang , Zhuhong You

Computational prediction of enzyme mechanism and protein function requires accurate physics-based models and suitable sampling. We discuss recent advances in large-scale quantum mechanical (QM) modeling of biochemical systems that have…

Chemical Physics · Physics 2021-05-28 Vyshnavi Vennelakanti , Azadeh Nazemi , Rimsha Mehmood , Adam H. Steeves , Heather J. Kulik

As protein therapeutics play an important role in almost all medical fields, numerous studies have been conducted on proteins using artificial intelligence. Artificial intelligence has enabled data driven predictions without the need for…

Quantitative Methods · Quantitative Biology 2023-03-30 Myeonghun Lee , Kyoungmin Min

Data-adaptive (machine learning-based) effect estimators are increasingly popular to reduce bias in high-dimensional bioinformatic and clinical studies (e.g. real-world data, target trials, -omic discovery). Their relative statistical…

Methodology · Statistics 2022-06-13 Xiang Meng , Jonathan Huang

Face recognition (FR) systems have a growing effect on critical decision-making processes. Recent works have shown that FR solutions show strong performance differences based on the user's demographics. However, to enable a trustworthy FR…

Computer Vision and Pattern Recognition · Computer Science 2021-03-03 Philipp Terhörst , Jan Niklas Kolf , Marco Huber , Florian Kirchbuchner , Naser Damer , Aythami Morales , Julian Fierrez , Arjan Kuijper

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

Deep learning has become a crucial tool in studying proteins. While the significance of modeling protein structure has been discussed extensively in the literature, amino acid types are typically included in the input as a default operation…

Quantitative Methods · Quantitative Biology 2024-07-01 Yang Tan , Lirong Zheng , Bozitao Zhong , Liang Hong , Bingxin Zhou

Motivation Protein fold recognition is an important problem in structural bioinformatics. Almost all traditional fold recognition methods use sequence (homology) comparison to indirectly predict the fold of a tar get protein based on the…

Machine Learning · Computer Science 2017-06-06 Jie Hou , Badri Adhikari , Jianlin Cheng

Machine learning technologies for protein function prediction are black box models. Despite their potential to identify key drug targets with high accuracy and accelerate therapy development, the adoption of these methods depends on…

Biomolecules · Quantitative Biology 2025-12-02 Ananya Krishna , Valentina Simon , Arjan Kohli

Facial expression analysis based on machine learning requires large number of well-annotated data to reflect different changes in facial motion. Publicly available datasets truly help to accelerate research in this area by providing a…

Machine Learning · Computer Science 2023-01-31 Yanfu Yan , Ke Lu , Jian Xue , Pengcheng Gao , Jiayi Lyu