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The support vector machine (SVM) is a powerful and widely used classification algorithm. This paper uses the Karush-Kuhn-Tucker conditions to provide rigorous mathematical proof for new insights into the behavior of SVM. These insights…

Machine Learning · Statistics 2018-10-11 Iain Carmichael , J. S. Marron

The concept of the limiting step is extended to the asymptotology of multiscale reaction networks. Complete theory for linear networks with well separated reaction rate constants is developed. We present algorithms for explicit…

Chemical Physics · Physics 2010-06-15 A. N. Gorban , O. Radulescu , A. Y. Zinovyev

Support vector machines represent a promising development in machine learning research that is not widely used within the remote sensing community. This paper reports the results of Multispectral(Landsat-7 ETM+) and Hyperspectral DAIS)data…

Neural and Evolutionary Computing · Computer Science 2009-11-13 Mahesh Pal , Paul M. Mather

Support Vector Machine (SVM) is a robust machine learning model that shows high accuracy with different classification problems, and is widely used for various embedded applications. However , implementation of embedded SVM classifiers is…

Machine Learning · Computer Science 2021-10-01 Shereen Afifi , Hamid GholamHosseini , Roopak Sinha

In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

Systems and Control · Computer Science 2015-09-21 Wei Pan , Ye Yuan , Lennart Ljung , Jorge Goncalves , Guy-Bart Stan

Motivated by the problem of learning with small sample sizes, this paper shows how to incorporate into support-vector machines (SVMs) those properties that have made convolutional neural networks (CNNs) successful. Particularly important is…

Machine Learning · Computer Science 2022-10-25 Tao Liu , P. R. Kumar , Ruida Zhou , Xi Liu

Support vector machine (SVM) is a well-known statistical technique for classification problems in machine learning and other fields. An important question for SVM is the selection of covariates (or features) for the model. Many studies have…

Methodology · Statistics 2022-02-22 Jiahui Zou , Chaoxia Yuan , Xinyu Zhang , Guohua Zou , Alan T. K. Wan

With a view towards molecular communication systems and molecular multi-agent systems, we propose the Chemical Baum-Welch Algorithm, a novel reaction network scheme that learns parameters for Hidden Markov Models (HMMs). Each reaction in…

Emerging Technologies · Computer Science 2023-06-29 Abhinav Singh , Carsten Wiuf , Abhishek Behera , Manoj Gopalkrishnan

We present herein an extension of an algebraic statistical method for inferring biochemical reaction networks from experimental data, proposed recently in [3]. This extension allows us to analyze reaction networks that are not necessarily…

Molecular Networks · Quantitative Biology 2009-02-26 Gheorghe Craciun , Casian Pantea , Grzegorz A. Rempala

A support vector machine (SVM) is an algorithm that finds a hyperplane which optimally separates labeled data points in $\mathbb{R}^n$ into positive and negative classes. The data points on the margin of this separating hyperplane are…

Machine Learning · Computer Science 2022-09-19 Henry Adams , Elin Farnell , Brittany Story

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an…

Molecular Networks · Quantitative Biology 2025-02-27 Anna C. M. Thöni , William E. Robinson , Yoram Bachrach , Wilhelm T. S. Huck , Tal Kachman

Document classification is a task of assigning a new unclassified document to one of the predefined set of classes. The content based document classification uses the content of the document with some weighting criteria to assign it to one…

Information Retrieval · Computer Science 2013-01-15 Muhammad Rafi , Mohammad Shahid Shaikh

Recently supervised machine learning has been ascending in providing new predictive approaches for chemical, biological and materials sciences applications. In this Perspective we focus on the interplay of machine learning algorithm with…

In this paper, we propose an optimization-based sparse learning approach to identify the set of most influential reactions in a chemical reaction network. This reduced set of reactions is then employed to construct a reduced chemical…

Optimization and Control · Mathematics 2017-12-14 Farshad Harirchi , Omar A. Khalil , Sijia Liu , Paolo Elvati , Angela Violi , Alfred O. Hero

It is known that the classification performance of Support Vector Machine (SVM) can be conveniently affected by the different parameters of the kernel tricks and the regularization parameter, C. Thus, in this article, we propose a study in…

Computation and Language · Computer Science 2015-07-23 Rimah Amami , Dorra Ben Ayed , Noureddine Ellouze

Machine Learning techniques can be used to represent high-dimensional potential energy surfaces for reactive chemical systems. Two such methods are based on a reproducing kernel Hilbert space representation or on deep neural networks. They…

Chemical Physics · Physics 2019-09-19 Oliver T. Unke , Markus Meuwly

A wide variety of machine learning algorithms such as support vector machine (SVM), minimax probability machine (MPM), and Fisher discriminant analysis (FDA), exist for binary classification. The purpose of this paper is to provide a…

Machine Learning · Computer Science 2012-06-22 Akiko Takeda , Hiroyuki Mitsugi , Takafumi Kanamori

Chemical databases store information in text representations, and the SMILES format is a universal standard used in many cheminformatics software. Encoded in each SMILES string is structural information that can be used to predict complex…

Machine Learning · Statistics 2018-08-16 Garrett B. Goh , Nathan O. Hodas , Charles Siegel , Abhinav Vishnu

In this article, a large dimensional performance analysis of kernel least squares support vector machines (LS-SVMs) is provided under the assumption of a two-class Gaussian mixture model for the input data. Building upon recent advances in…

Machine Learning · Statistics 2021-03-18 Zhenyu Liao , Romain Couillet

This work endeavors to juxtapose the efficacy of machine learning algorithms within classical and quantum computational paradigms. Particularly, by emphasizing on Support Vector Machines (SVM), we scrutinize the classification prowess of…

Machine Learning · Computer Science 2023-10-18 Davut Emre Tasar , Kutan Koruyan , Ceren Ocal Tasar