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

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

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

"…In contrast, for smaller and denser systems such as diamond nanoparticles, especially if employing large basis sets, algorithms that use the underlying molecular orbital coefficients offer superior performance, despite their higher formal scaling. …"

Completion times for different algorithms. حسب Jianbin Zheng (587000)

"…This paper first analyzes the H-beam processing flow and appropriately simplifies it, develops a reinforcement learning environment for multi-agent scheduling, and applies the rMAPPO algorithm to make scheduling decisions. The effectiveness of the proposed method is then verified on both the physical work cell for riveting and welding and its digital twin platform, and it is compared with other baseline multi-agent reinforcement learning methods (MAPPO, MADDPG, and MASAC). …"

The average cumulative reward of algorithms. حسب Jianbin Zheng (587000)

"…This paper first analyzes the H-beam processing flow and appropriately simplifies it, develops a reinforcement learning environment for multi-agent scheduling, and applies the rMAPPO algorithm to make scheduling decisions. The effectiveness of the proposed method is then verified on both the physical work cell for riveting and welding and its digital twin platform, and it is compared with other baseline multi-agent reinforcement learning methods (MAPPO, MADDPG, and MASAC). …"

The pseudocode for the NAFPSO algorithm. حسب Huichao Guo (14515171)

"…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …"

PSO algorithm flowchart. حسب Huichao Guo (14515171)

"…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …"

Simulation settings of rMAPPO algorithm. حسب Jianbin Zheng (587000)

"…This paper first analyzes the H-beam processing flow and appropriately simplifies it, develops a reinforcement learning environment for multi-agent scheduling, and applies the rMAPPO algorithm to make scheduling decisions. The effectiveness of the proposed method is then verified on both the physical work cell for riveting and welding and its digital twin platform, and it is compared with other baseline multi-agent reinforcement learning methods (MAPPO, MADDPG, and MASAC). …"

CEC2017 basic functions. حسب Tengfei Ma (597633)

الموضوعات:

Study proposed algorithm. حسب Ainhoa Pérez-Guerrero (21377457)

"…The index of microvascular resistance (IMR) is a specific physiological parameter used to assess microvascular function. Invasive coronary assessment has been shown to be both feasible and safe. …"

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

Scheduling time of five algorithms. حسب Huichao Guo (14515171)

"…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …"

Convergence speed of five algorithms. حسب Huichao Guo (14515171)

"…A scheduling optimization model based on the particle swarm optimization (PSO) algorithm is proposed. In view of the high-dimensional complexity and local optimal problems, the neighborhood adaptive constrained fractional particle swarm optimization (NACFPSO) algorithm is used to solve it. …"

Gillespie algorithm simulation parameters. حسب Nicholas H. Vitale (20469289)

"…Both the ensemble and stochastic models presented in this work have been verified using Monte Carlo molecular dynamic simulations that utilize the Gillespie algorithm. …"

Construction of the PRG score index using integrated machine learning algorithms. حسب Xiangxin Wu (22320058)

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

الموضوعات:

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

الموضوعات:

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

Knowledge graph model rating function. حسب Chunjuan Li (7890182)

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

"…Results from experiments confirm that the enhanced WOA algorithm outperforms the standard WOA algorithm in terms of both fitness value and convergence speed. …"