This paper presents some essential findings and results on using ranking-based kernels for the analysis and utilization of high dimensional and noisy biomedical data in applied clinical diagnostics. We claim that presented kernels combined with a state-of-the-art classification technique - a Support Vector Machine (SVM) - could significantly improve the classification rate and predictive power of the wrapper method, e.g. SVM. Moreover, the advantage of such kernels could be potentially exploited for other kernel methods and essential computer-aided tasks such as novelty detection and clustering. Our experimental results and theoretical generalization bounds imply that ranking-based kernels outperform other traditionally employed SVM kernels on high dimensional biomedical and microarray data.
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http://dx.doi.org/10.1142/S0129065711002961 | DOI Listing |
J Chem Phys
January 2021
Tata Institute of Fundamental Research, Centre for Interdisciplinary Sciences, Hyderabad 500107, India.
First-principles calculation of the standard formation enthalpy, ΔH° (298 K), in such a large scale as required by chemical space explorations, is amenable only with density functional approximations (DFAs) and certain composite wave function theories (cWFTs). Unfortunately, the accuracies of popular range-separated hybrid, "rung-4" DFAs, and cWFTs that offer the best accuracy-vs-cost trade-off have until now been established only for datasets predominantly comprising small molecules; their transferability to larger systems remains vague. In this study, we present an extended benchmark dataset of ΔH° for structurally and electronically diverse molecules.
View Article and Find Full Text PDFInt J Neural Syst
December 2011
Riga Technical University, Meža 1/4 Riga, LV-1658, Latvia.
This paper presents some essential findings and results on using ranking-based kernels for the analysis and utilization of high dimensional and noisy biomedical data in applied clinical diagnostics. We claim that presented kernels combined with a state-of-the-art classification technique - a Support Vector Machine (SVM) - could significantly improve the classification rate and predictive power of the wrapper method, e.g.
View Article and Find Full Text PDFKidney Int
January 2006
Department of Urology, University of Padova, Padova, Italy.
The objective of this study was to optimally predict the spontaneous passage of ureteral stones in patients with renal colic by applying for the first time support vector machines (SVM), an instance of kernel methods, for classification. After reviewing the results found in the literature, we compared the performances obtained with logistic regression (LR) and accurately trained artificial neural networks (ANN) to those obtained with SVM, that is, the standard SVM, and the linear programming SVM (LP-SVM); the latter techniques show an improved performance. Moreover, we rank the prediction factors according to their importance using Fisher scores and the LP-SVM feature weights.
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