The support vector machine (SVM) is a powerful tool for pattern classification thanks to its outstanding efficiency. However, when encountering extensive classification tasks, the considerable computational complexity may present a substantial barrier. To reduce computational complexity, the novel ramp fraction loss SVM model called L-SVM is introduced. The aim of this model is to simultaneously achieve sparsity and robustness. Utilizing our proposed proximal stationary point, we develop a novel optimality theory to the nonsmooth and nonconvex L-SVM. Drawing upon this innovative theory, a novel efficient alternating direction method of multipliers (ADMM) incorporating a working set with low computational complexity will be introduced for handing L-SVM. Moreover, our algorithm has shown that it can achieve global convergence. Our algorithm has been shown to be highly efficient through numerical experiments, surpassing nine other top solvers regarding number of support vectors, speed of computation, accuracy of classification and robust to outliers. For example, for addressing the real dataset over 10 samples, our algorithm can finish the classification in just 18.67 s, a notable enhancement in comparison to other algorithms that need at least 605.3 s.
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http://dx.doi.org/10.1016/j.neunet.2024.107087 | DOI Listing |
Microbiome
January 2025
Estonian Genome Centre, Institute of Genomics, University of Tartu, Tartu, Estonia.
Background: Accurate classification of host phenotypes from microbiome data is crucial for advancing microbiome-based therapies, with machine learning offering effective solutions. However, the complexity of the gut microbiome, data sparsity, compositionality, and population-specificity present significant challenges. Microbiome data transformations can alleviate some of the aforementioned challenges, but their usage in machine learning tasks has largely been unexplored.
View Article and Find Full Text PDFBMC Chem
January 2025
Department of Biochemistry, Faculty of Pharmacy, Adıyaman University, Adıyaman, 02000, Türkiye.
This study investigates the phenolic compounds (PC), volatile compounds (VC), and fatty acids (FA) of extra virgin olive oil (EVOO) derived from the Turkish olive variety "Sarı Ulak", along with ADMET, DFT, molecular docking, and gene network analyses of significant molecules identified within the EVOO. Chromatographic methods (GC-FID, HPLC) were employed to characterize FA, PC, and VC profiles, while quality parameters, antioxidant activities (TAC, ABTS, DPPH) were assessed via spectrophotometry. The analysis revealed a complex composition of 40 volatile compounds, with estragole, 7-hydroxyheptene-1, and 3-methoxycinnamaldehyde as the primary components.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Computer Modelling Group, 3710 33 St NW, Calgary, Alberta T2L 2M1, Canada.
Coarse-grained molecular dynamics simulation is widely accepted for assessment of a large complex biological system, but it may also lead to a misleading conclusion. The challenge is to simulate protein structural dynamics (such as folding-unfolding behavior) due to the lack of a necessary backbone flexibility. This study developed a standard coarse-grained model directly from the protein atomic structure and amino acid coarse-grained FF (such as MARTINI FF v2.
View Article and Find Full Text PDFNat Chem
January 2025
School of Chemical and Physical Sciences, Victoria University of Wellington, Wellington, New Zealand.
Benzene reduction by molecular complexes remains an important synthetic challenge, requiring harsh reaction conditions involving group I metals. Reductions of benzene, to date, typically result in a loss of aromaticity, although the benzene tetra-anion, a 10π-electron system, has been calculated to be stable and aromatic. Due to the lack of sufficiently potent reductants, four-electron reduction of benzene usually requires the use of group I metals.
View Article and Find Full Text PDFMed Biol Eng Comput
January 2025
Department of Computer Science and Engineering, Shri Shankaracharya Institute of Professional Management and Technology, Raipur, (C.G.), India.
This study presents an advanced methodology for 3D heart reconstruction using a combination of deep learning models and computational techniques, addressing critical challenges in cardiac modeling and segmentation. A multi-dataset approach was employed, including data from the UK Biobank, MICCAI Multi-Modality Whole Heart Segmentation (MM-WHS) challenge, and clinical datasets of congenital heart disease. Preprocessing steps involved segmentation, intensity normalization, and mesh generation, while the reconstruction was performed using a blend of statistical shape modeling (SSM), graph convolutional networks (GCNs), and progressive GANs.
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