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Title: | A Novel Hyperparameter Optimization Approach for Supervised Classification: Phase Prediction of Multi-Principal Element Alloys |
Authors: | Fatimi, SH Wang, Z Chang, ITH Liu, W Liu, X |
Keywords: | hyperparameter optimization;outlier detection;feature selection;artificial neural networks;genetic algorithm;multi-principal element alloys |
Issue Date: | 24-Jan-2025 |
Publisher: | Springer Nature |
Citation: | Fatimi, S.H. et al. (2025) 'A Novel Hyperparameter Optimization Approach for Supervised Classification: Phase Prediction of Multi-Principal Element Alloys', Cognitive Computation, 17 (1), 50, pp. 1 - 14. doi: 10.1007/s12559-025-10405-5. |
Abstract: | In this paper, a hyperparameter optimization approach is proposed for the phase prediction of multi-principal element alloys (MPEAs) through the introduction of two novel hyperparameters: outlier detection and feature subset selection. To gain a deeper understanding of the connection between alloy phases and their elemental properties, an artificial neural network is employed, with hyperparameter optimization performed using a genetic algorithm to select the optimum hyperparameters. The two novel hyperparameters, outlier detection and feature subset selection, are introduced within the optimization framework, along with new crossover and mutation operators for handling single and multi-valued genes simultaneously. Ablation studies are conducted, illustrating an improvement in prediction accuracy with the inclusion of these new hyperparameters. A comparison with five existing algorithms in multi-class classification is made, demonstrating an improvement in the performance of phase prediction, thereby providing a better perception of the alloy phase space for high-throughput MPEA design. |
Description: | Data Availability: The data that support the findings of this study are not openly available due to data privacy and are available from the corresponding author upon reasonable request. |
URI: | https://bura.brunel.ac.uk/handle/2438/30652 |
DOI: | https://doi.org/10.1007/s12559-025-10405-5 |
ISSN: | 1866-9956 |
Other Identifiers: | ORCiD: Zidong Wang https://orcid.org/0000-0002-9576-7401 ORCiD: Isaac T. H. Chang https://orcid.org/0000-0003-4296-1240 ORCiD: Weibo Liu https://orcid.org/0000-0002-8169-3261 ORCiD: Xiaohui Liu https://orcid.org/0000-0003-1589-1267 50 |
Appears in Collections: | Dept of Computer Science Research Papers Brunel Centre for Advanced Solidification Technology (BCAST) |
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