Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

“…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. …”

Types of training algorithms. by Caixia Yan (6647072)

Algorithm pseudocode. by Cheng-jie Chen (22272090)

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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

“…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”

Parameters of the genetic algorithm. by Jian Ma (170138)

Matlab code of a function used in S2 File. by Hiroko Kato Solvang (5718250)

DMTD algorithm. by Yunhu Huang (21402795)

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The iteration curve of the test function. by Jian Kong (164512)

“…Then the optimization parameters and scope were determined, and multi-objective optimization and direction preference algorithms were introduced. A chaotic optical performance optimization model based on improved multi-objective genetic algorithm was constructed using adaptive functions as evaluation indicators. …”

Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods by Xubin Wang (1861147)

“…A cheap QM method, i.e., INDO/CIS, on the basis of an xTB-optimized molecular geometry is applied to quickly calculate the fitness function. …”

2lpiRNApred: a two-layered integrated algorithm for identifying piRNAs and their functions based on LFE-GM feature selection by Yun Zuo (8541492)

“…Five feature extraction strategies, namely, Kmer, General parallel correlation pseudo-dinucleotide composition, General series correlation pseudo-dinucleotide composition, Normalized Moreau–Broto autocorrelation, and Geary autocorrelation, and two types of classifier, Sparse Representation Classifier (SRC) and support vector machine with Mahalanobis distance-based radial basis function (SVMMDRBF), were used to construct a two-layered integrated classifier algorithm, 2lpiRNApred. …”

Flowchart of proposed fitness function algorithm. by Ferhat Yuna (21519851)

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A Quadratic Pair Atomic Resolution of the Identity Based SOS-AO-MP2 Algorithm Using Slater Type Orbitals by Arno Förster (8356044)

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The convergence curve of each optimization algorithm under the test function. by Hao Yang (328526)

Optimum feature set for classification using both core and margin information utilizing GLCM, GRLM, and GLSZM texture methods and SVM-RBF classification algorithm. by Laurentius O. Osapoetra (9931759)

Table2_Predicting Human Protein Subcellular Locations by Using a Combination of Network and Function Features.XLSX by Lei Chen (54296)

“…In this study, the protein–protein interaction network, functional annotation of proteins and a group of direct proteins with known subcellular localization were used to construct models. …”

Table3_Predicting Human Protein Subcellular Locations by Using a Combination of Network and Function Features.XLSX by Lei Chen (54296)

“…In this study, the protein–protein interaction network, functional annotation of proteins and a group of direct proteins with known subcellular localization were used to construct models. …”

Table4_Predicting Human Protein Subcellular Locations by Using a Combination of Network and Function Features.XLSX by Lei Chen (54296)

“…In this study, the protein–protein interaction network, functional annotation of proteins and a group of direct proteins with known subcellular localization were used to construct models. …”

Table1_Predicting Human Protein Subcellular Locations by Using a Combination of Network and Function Features.XLSX by Lei Chen (54296)

“…In this study, the protein–protein interaction network, functional annotation of proteins and a group of direct proteins with known subcellular localization were used to construct models. …”

Results of searching performance of the improved NAG algorithm on Rosenbrock function, Ackley function, and Rastrigin function. by Rui Zhang (13940)

Results of searching performance of different algorithm models on the Rosenbrock function, Ackley function, and Rastrigin function. by Rui Zhang (13940)