Influence diagrams have been widely applied to decision analysis and uncertain inference in many domains. Learning IDs aided by computer is an active research area. An ID structure learning algorithm ...

This repository is for our recent NeurIPS 2022 paper: Reinforced Genetic Algorithm for Structure-based Drug Design. The paper proposes a reinforcement learning-based genetic algorithm for ...

Efforts in predicting crystal structures from first principles have mainly focused on the bulk materials. A general approach based on a genetic algorithm is now proposed to simulate grain ...

Traditional genetic algorithms for atomistic structure search are accelerated with generative VAE models. New candidate structures are generated using latent space Bayesian optimization. This package ...

Genetic Algorithm Structure Optimization for the Schedule Task Solution ... The genetic algorithm based on matrix performance of the initial information and genetic operators adapted for the given ...

We present the implementation of GAtor, a massively parallel, first-principles genetic algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and currently interfaces ...

To explore the best structure of the curved-tube nozzle, the three structure parameters (θ, R, d) are optimized to maximize the objective function Eq. 21 based on the genetic algorithm. After multiple ...

Keywords: metamaterial, absorbing plasmonic structure, spoof surface plasmon polariton, wideband absorption, genetic algorithm. Citation: Zhu R, Wang J, Sui S, Meng Y, Qiu T, Jia Y, Wang X, Han Y, ...

The identification of low-energy conformers for a given molecule is a fundamental problem in computational chemistry and cheminformatics. We assess here a conformer search that employs a genetic ...

Hybrid genetic algorithm and Q-learning-based solution for the time-variant berth and quay crane allocation problem. ... Algorithm framework diagram. 4.1 Genetic algorithm 4.1.1 Chromosome and ...