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

“…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. …”

Summary of the contrasts obtained from the normalized images for both inclusions as a function of the host type and the wavelength. by María Victoria Waks-Serra (21578611)

The benchmark functions. by Shuhui Yu (1535500)

CEC2017 basic functions. by Tengfei Ma (597633)

“…Specifically, it achieves faster iteration speeds across four different environments, with the planned path length after escaping local optima being shortened by an average of 7.55175 m (16.291%) compared to other optimization algorithms. These results confirm OP-ZOA’s enhanced optimization capability, significantly improving both escape efficiency from local optima and solution reliability.…”

Algorithm detection steps. by José M. Rivera-Arbeláez (12418512)

AUC scores of anomaly detection algorithms. by GaoXiang Zhao (21499525)

“…Empirical evaluations conducted on multiple benchmark datasets demonstrate that the proposed method outperforms classical anomaly detection algorithms while surpassing conventional model averaging techniques based on minimizing standard loss functions. …”

Recall scores of anomaly detection algorithms. by GaoXiang Zhao (21499525)

“…Empirical evaluations conducted on multiple benchmark datasets demonstrate that the proposed method outperforms classical anomaly detection algorithms while surpassing conventional model averaging techniques based on minimizing standard loss functions. …”

CEC2017 test function test results. by Tengfei Ma (597633)

“…Specifically, it achieves faster iteration speeds across four different environments, with the planned path length after escaping local optima being shortened by an average of 7.55175 m (16.291%) compared to other optimization algorithms. These results confirm OP-ZOA’s enhanced optimization capability, significantly improving both escape efficiency from local optima and solution reliability.…”

F1-scores of anomaly detection algorithms. by GaoXiang Zhao (21499525)

“…Empirical evaluations conducted on multiple benchmark datasets demonstrate that the proposed method outperforms classical anomaly detection algorithms while surpassing conventional model averaging techniques based on minimizing standard loss functions. …”

Images of partial benchmark functions. by ZeSheng Lin (20501356)

“…Finally, a novel Levy flight was implemented to promote the diversity of whale distribution. Results from experiments confirm that the enhanced WOA algorithm outperforms the standard WOA algorithm in terms of both fitness value and convergence speed. …”

If datasets are small and/or noisy, linear-regression-based algorithms for identifying functional groups outperform more complex versions. by Yuanchen Zhao (12905580)

“…Each algorithm return a set of coarsened <i>variables</i> (a grouping of species into three groups) and a <i>model</i> that uses these variables to predict the function. …”

Statistical results of various algorithms. by ZeSheng Lin (20501356)

“…Finally, a novel Levy flight was implemented to promote the diversity of whale distribution. Results from experiments confirm that the enhanced WOA algorithm outperforms the standard WOA algorithm in terms of both fitness value and convergence speed. …”

Iteration curves of different algorithms. by Tengfei Ma (597633)

“…Specifically, it achieves faster iteration speeds across four different environments, with the planned path length after escaping local optima being shortened by an average of 7.55175 m (16.291%) compared to other optimization algorithms. These results confirm OP-ZOA’s enhanced optimization capability, significantly improving both escape efficiency from local optima and solution reliability.…”

Flowchart of OP-ZOA algorithm. by Tengfei Ma (597633)

“…Specifically, it achieves faster iteration speeds across four different environments, with the planned path length after escaping local optima being shortened by an average of 7.55175 m (16.291%) compared to other optimization algorithms. These results confirm OP-ZOA’s enhanced optimization capability, significantly improving both escape efficiency from local optima and solution reliability.…”

Loss Function Comparison. by Hongwei Yue (574068)

Loss Function Comparison. by Hongwei Yue (574068)

Acc epoch loss curve of IPCA algorithm. by Lu Lin (201289)

Flow chart diagram of blind quantum algorithm. by Sultan H. Almotiri (14029251)

“…Our study addresses five major components of the quantum method to overcome these challenges: lattice-based cryptography, fully homomorphic algorithms, quantum key distribution, quantum hash functions, and blind quantum algorithms. …”

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms by Saadiallakh Normatov (20682324)

Search for Correlations Between the Results of the Density Functional Theory and Hartree–Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms by Saadiallakh Normatov (20682324)