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 ...

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 ...

The script full_scripts.py or auxeticmop.sample_scripts.full_steps.run() generates 1/8 structure of unit cell using ABAQUS CAE software by genetic algorithm. This script is especially for finding ...

This paper presents a neural network model with a variable structure, which is trained by an improved genetic algorithm (GA). The proposed variable-structure neural network (VSNN) consists of a neural ...

We present a high-throughput, end-to-end pipeline for organic crystal structure prediction (CSP)─the problem of identifying the stable crystal structures that will form from a given molecule based ...

In this paper, we propose a new hybrid structure learning method that incorporates case-injected genetic algorithms as a score-and-search method for determining Bayesian network structure from data.

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, ...

For the optimization design of the curved structure of the wing box, this study adopts a BP-Multi-Objective Genetic Algorithm optimization mechanism. The main conclusions are as follows: 1) By ...