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Inspired by a growing interest in analyzing network data, we study the problem of node classification on graphs, focusing on approaches based on kernel machines. Conventionally, kernel machines are linear classifiers in the implicit feature…

Machine Learning · Statistics 2010-01-25 Xiao Tang , Mu Zhu

Computational approaches to drug discovery can reduce the time and cost associated with experimental assays and enable the screening of novel chemotypes. Structure-based drug design methods rely on scoring functions to rank and predict…

Machine Learning · Statistics 2020-10-19 Matthew Ragoza , Joshua Hochuli , Elisa Idrobo , Jocelyn Sunseri , David Ryan Koes

Deep learning can be used to extract meaningful results from images. In this paper, we used convolutional neural networks combined with recurrent neural networks on images of plasmonic structures and extract absorption data form them. To…

Computer Vision and Pattern Recognition · Computer Science 2018-05-02 Iman Sajedian , Jeonghyun Kim , Junsuk Rho

Computational protein design has a wide variety of applications. Despite its remarkable success, designing a protein for a given structure and function is still a challenging task. On the other hand, the number of solved protein structures…

Quantitative Methods · Quantitative Biology 2018-04-26 Jingxue Wang , Huali Cao , John Z. H. Zhang , Yifei Qi

DNA-binding proteins (DBPs) are integral to gene regulation and cellular processes, making their accurate identification essential for understanding biological functions and disease mechanisms. Experimental methods for DBP identification…

Machine Learning · Computer Science 2025-07-29 Samiul Based Shuvo , Tasnia Binte Mamun , U Rajendra Acharya

Deep learning forms a hierarchical network structure for representation of multiple input features. The adaptive structural learning method of Deep Belief Network (DBN) can realize a high classification capability while searching the…

Neural and Evolutionary Computing · Computer Science 2019-10-01 Shin Kamada , Takumi Ichimura

Protein representation learning methods have shown great potential to yield useful representation for many downstream tasks, especially on protein classification. Moreover, a few recent studies have shown great promise in addressing…

Machine Learning · Computer Science 2023-04-11 Can Chen , Jingbo Zhou , Fan Wang , Xue Liu , Dejing Dou

Advances in deep learning have opened an era of abundant and accurate predicted protein structures; however, similar progress in protein ensembles has remained elusive. This review highlights several recent research directions towards…

Biomolecules · Quantitative Biology 2025-09-23 Bowen Jing , Bonnie Berger , Tommi Jaakkola

Deep neural networks have recently drawn considerable attention to build and evaluate artificial learning models for perceptual tasks. Here, we present a study on the performance of the deep learning models to deal with global optimization…

Neural and Evolutionary Computing · Computer Science 2020-12-18 Hojjat Rakhshani , Lhassane Idoumghar , Soheila Ghambari , Julien Lepagnot , Mathieu Brévilliers

It is no secret that pornographic material is now a one-click-away from everyone, including children and minors. General social media networks are striving to isolate adult images and videos from normal ones. Intelligent image analysis…

Computer Vision and Pattern Recognition · Computer Science 2015-12-01 Mohamed Moustafa

Networks are ubiquitous structure that describes complex relationships between different entities in the real world. As a critical component of prediction task over nodes in networks, learning the feature representation of nodes has become…

Machine Learning · Computer Science 2018-09-10 Hansheng Xue , Jiajie Peng , Xuequn Shang

Deep Learning has the hierarchical network architecture to represent the complicated features of input patterns. Such architecture is well known to represent higher learning capability compared with some conventional models if the best set…

Neural and Evolutionary Computing · Computer Science 2018-07-12 Takumi Ichimura , Shin Kamada

Deep learning has shown promising results in many machine learning applications. The hierarchical feature representation built by deep networks enable compact and precise encoding of the data. A kernel analysis of the trained deep networks…

Machine Learning · Computer Science 2017-03-22 Mandar Kulkarni , Shirish Karande

Traditional breast cancer image classification methods require manual extraction of features from medical images, which not only require professional medical knowledge, but also have problems such as time-consuming and labor-intensive and…

Image and Video Processing · Electrical Eng. & Systems 2021-04-26 Mengfan Li

Amino acid sequence portrays most intrinsic form of a protein and expresses primary structure of protein. The order of amino acids in a sequence enables a protein to acquire a particular stable conformation that is responsible for the…

Machine Learning · Computer Science 2022-08-29 Ashish Ranjan , Md Shah Fahad , David Fernandez-Baca , Akshay Deepak , Sudhakar Tripathi

Artificial intelligence (AI) in the form of deep learning bears promise for drug discovery and chemical biology, $\textit{e.g.}$, to predict protein structure and molecular bioactivity, plan organic synthesis, and design molecules…

Biomolecules · Quantitative Biology 2022-12-29 Rıza Özçelik , Derek van Tilborg , José Jiménez-Luna , Francesca Grisoni

Convolutional Neural Networks are a well-known staple of modern image classification. However, it can be difficult to assess the quality and robustness of such models. Deep models are known to perform well on a given training and estimation…

Machine Learning · Statistics 2018-02-06 Alexey Chaplygin , Joshua Chacksfield

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

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

Complexes of physically interacting proteins are one of the fundamental functional units responsible for driving key biological mechanisms within the cell. Their identification is therefore necessary not only to understand complex formation…

Computational Engineering, Finance, and Science · Computer Science 2012-11-27 Sriganesh Srihari , Hon Wai Leong