Search alternatives:
algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » basis functions (Expand Search), loss function (Expand Search), brain function (Expand Search)
algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » basis functions (Expand Search), loss function (Expand Search), brain function (Expand Search)
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Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Published 2025“…In this work, we present a comparative study of four GPU-accelerated algorithms for evaluating the KS-DFT exchange–correlation (XC) potential with an atom-centered Gaussian basis. …”
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A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases
Published 2025Subjects: -
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The structure of genetic algorithm (GA).
Published 2024“…First, physico-chemical inputs as bulk density (BD), initial water content (W<sub>i</sub>), saturated water content (W<sub>s</sub>), mean weight diameter (MWD), and geometric mean diameter (GMD) of aggregates, pH, electrical conductivity (EC), and calcium carbonate equivalent (CCE) were measured. Then, radial basis functions (RBFNNs), multilayer perceptron (MLPNNs), hybrid genetic algorithm (GA-NNs), and particle swarm optimization (PSO-NNs) neural networks were utilized to develop PTFs and compared their accuracy with the traditional regression model (MLR) using statistical indices. …”
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Algorithm pseudocode.
Published 2025“…On the basis of the Retinex model, multi-level decomposition of brightness is carried out, and different filtering parameters are set to obtain multiple illumination and reflection images with different scale information; Using exponential function and Sigmoid function to process reflection images and illumination images separately, reducing external interference on images of different scales, and solving the difficulty of enhancing images with uneven illumination, high noise, low illumination, and loss of details. …”
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”
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