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In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to…

Machine Learning · Computer Science 2019-01-21 Chhote Lal Prasad Gupta , Anand Bihari , Sudhakar Tripathi

Kernel learning methods are among the most effective learning methods and have been vigorously studied in the past decades. However, when tackling with complicated tasks, classical kernel methods are not flexible or "rich" enough to…

Machine Learning · Computer Science 2019-10-08 Jiaxuan Xie , Fanghui Liu , Kaijie Wang , Xiaolin Huang

Motivated by a hemodialysis monitoring study, we propose a logistic model with a functional predictor, called the Sparse Functional Logistic Regression (SFLR), where the corresponding coefficient function is {\it locally sparse}, that is,…

Methodology · Statistics 2021-06-22 Yunnan Xu , Pang Du , John Robertson , Ryan Senger

Nearest neighbor search has found numerous applications in machine learning, data mining and massive data processing systems. The past few years have witnessed the popularity of the graph-based nearest neighbor search paradigm because of…

Machine Learning · Computer Science 2020-12-22 Hongya Wang , Zhizheng Wang , Wei Wang , Yingyuan Xiao , Zeng Zhao , Kaixiang Yang

Human action recognition from skeletal data is a hot research topic and important in many open domain applications of computer vision, thanks to recently introduced 3D sensors. In the literature, naive methods simply transfer off-the-shelf…

Computer Vision and Pattern Recognition · Computer Science 2017-08-04 Jacopo Cavazza , Pietro Morerio , Vittorio Murino

We implement extensions of the partial least squares generalized linear regression (PLSGLR) due to Bastien et al. (2005) through its combination with logistic regression and linear discriminant analysis, to get a partial least squares…

Computation · Statistics 2019-06-20 Adolphus Wagala , Graciela Gonzalez-Farıas , Rogelio Ramos , Oscar Dalmau

The prediction of protein-ligand binding affinity is of great significance for discovering lead compounds in drug research. Facing this challenging task, most existing prediction methods rely on the topological and/or spatial structure of…

Biomolecules · Quantitative Biology 2022-09-28 Yang Zhang , Gengmo Zhou , Zhewei Wei , Hongteng Xu

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

We consider the kernel partial least squares algorithm for non-parametric regression with stationary dependent data. Probabilistic convergence rates of the kernel partial least squares estimator to the true regression function are…

Statistics Theory · Mathematics 2017-06-13 Marco Singer , Tatyana Krivobokova , Axel Munk

Kernel logistic regression (KLR) is a powerful classification method widely applied across diverse domains. In many real-world scenarios, indefinite kernels capture more domain-specific structural information than positive definite kernels.…

Machine Learning · Statistics 2025-10-31 Shaoxin Wang , Hanjing Yao

We present a novel approach to learn a kernel-based regression function. It is based on the useof conical combinations of data-based parameterized kernels and on a new stochastic convex optimization procedure of which we establish…

Machine Learning · Computer Science 2012-01-13 Pierre Machart , Thomas Peel , Liva Ralaivola , Sandrine Anthoine , Hervé Glotin

So far, many network-structure-based link prediction methods have been proposed. However, these methods only highlight one or two structural features of networks, and then use the methods to predict missing links in different networks. The…

Physics and Society · Physics 2017-09-01 Chuang Ma , Zhong-Kui Bao , Hai-Feng Zhang

Link prediction is a fundamental task in dynamic graph learning (DGL), inherently shaped by the topology of the DG. Recent advancements in dynamic graph neural networks (DGNN), primarily by modeling the relationships among nodes via a…

Machine Learning · Computer Science 2025-04-29 Ling Wang , Minglian Han

In this study, we propose a Kernel-PCA model designed to capture structure-function relationships in a protein. This model also enables ranking of reaction coordinates according to their impact on protein properties. By leveraging machine…

Computation and Language · Computer Science 2025-03-26 Parisa Mollaei , Amir Barati Farimani

Functional regression is very crucial in functional data analysis and a linear relationship between scalar response and functional predictor is often assumed. However, the linear assumption may not hold in practice, which makes the methods…

Methodology · Statistics 2023-01-18 Rou Zhong , Dongxue Wang , Jingxiao Zhang

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

Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein…

Biomolecules · Quantitative Biology 2007-05-23 Michael C. Prentiss , Corey Hardin , Michael P. Eastwood , Chenghong Zong , Peter G. Wolynes

Hebbian learning limits Hopfield network storage capacity (pattern-to-neuron ratio around 0.14). We propose Kernel Logistic Regression (KLR) learning. Unlike linear methods, KLR uses kernels to implicitly map patterns to high-dimensional…

Machine Learning · Computer Science 2025-06-16 Akira Tamamori

Protein contacts provide key information for the understanding of protein structure and function, and therefore contact prediction from sequences is an important problem. Recent research shows that some correctly predicted long-range…

Quantitative Methods · Quantitative Biology 2020-09-02 Siqi Sun

An important problem in the field of bioinformatics is to identify interactive effects among profiled variables for outcome prediction. In this paper, a logistic regression model with pairwise interactions among a set of binary covariates…

Artificial Intelligence · Computer Science 2016-12-30 Easton Li Xu , Xiaoning Qian , Tie Liu , Shuguang Cui