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

"…Two approaches, both leveraging batched dense linear algebra, are found to outperform the others across a suite of molecular benchmarks. We show that batched formation of the XC matrix from the density matrix yields the best performance for large (>O(103) basis functions), sparse systems such as glycine chains and water clusters. …"

Algorithm parameter setting. حسب Tianrui Zhang (2294542)

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Algorithm parameter setting. حسب Tianrui Zhang (2294542)

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Algorithm for solving Eq (7). حسب Yanfang Xue (547585)

Algorithm for solving Eq (12). حسب Yanfang Xue (547585)

Algorithm flowchart. حسب Wang Xiang (5435141)

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An example showing web function (https://w12251393.shinyapps.io/app2/). حسب Ruiyang Wu (14510435)

Comparison of results of different algorithms. حسب Zhibo Fu (19009854)

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ANOVA tests for Benchmark functions. حسب Yu Liu (6938)

"…<div><p>The competition of tribes and cooperation of members algorithm (CTCM) is a novel swarm intelligence algorithm, which increases the diversity of the population to a certain extent through tribal competition and member cooperation mechanisms. …"

The Wilcoxon results for Benchmark functions. حسب Yu Liu (6938)

"…<div><p>The competition of tribes and cooperation of members algorithm (CTCM) is a novel swarm intelligence algorithm, which increases the diversity of the population to a certain extent through tribal competition and member cooperation mechanisms. …"

Convergence graphs of Benchmark functions. حسب Yu Liu (6938)

"…<div><p>The competition of tribes and cooperation of members algorithm (CTCM) is a novel swarm intelligence algorithm, which increases the diversity of the population to a certain extent through tribal competition and member cooperation mechanisms. …"

GELU function. حسب Yuanzhou Zheng (15195249)

The benchmark functions. حسب Shuhui Yu (1535500)

Membership function of each target. حسب Tianrui Zhang (2294542)

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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements حسب Pascal Wang (10130612)

"…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …"

Compare algorithm parameter settings. حسب Yuqi Xiong (12343771)

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Test results of different algorithms. حسب Ling Zhao (111365)

"…<div><p>To solve the problems of insufficient global optimization ability and easy loss of population diversity in building interior layout design, this study proposes a novel layout optimization model integrating interactive genetic algorithm and improved differential evolutionary algorithm to improve the global optimization ability and maintain population diversity in building layout design. …"

Boxplot of fitness in various algorithms. حسب Wei Liu (20030)

"…The convergence of SGWO was analyzed by mathematical theory, and the optimization ability of SGWO and the prediction performance of SGWO-Elman were examined using comparative experiments. The results show: (1) the global convergence probability of SGWO was 1, and its process was a finite homogeneous Markov chain with an absorption state; (2) SGWO not only has better optimization performance when solving complex functions of different dimensions, but also when applied to Elman for parameter optimization, SGWO can significantly optimize the network structure and SGWO-Elman has accurate prediction performance.…"

Comparison of softsign function and tanh function. حسب Peihan Wen (6324315)

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Modular architecture design of PyNoetic showing all its constituent functions. حسب Gursimran Singh (575288)

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