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Published at November 21

Material synthesis through simulations guided by machine learning: a position paper

Released Date: November 21, 2024

Authors: Usman Syed¹, Federico Cunico¹, Uzair Khan¹, Eros Radicchi², Francesco Setti¹, Adolfo Speghini², Paolo Marone³, Filiberto Semenzin⁴, Marco Cristani¹

Aff.: ¹University of Verona, Italy, Department of Engineering DIMI; ²NRG-Department of Biotechnology, University of Verona and INSTM, RU of Verona, Strada Le Grazie 15, I-37134 Verona, Italy; ³Istituto Internazionale del Marmo, Italy; ⁴Verona Stone District, Italy

Arxiv: http://arxiv.org/abs/2411.13953v1

Model	Train MSE $\downarrow$	Test MSE $\downarrow$	Train R² $\uparrow$	Test R² $\uparrow$	Train MAPE $\downarrow$	Test MAPE $\downarrow$
GB	0.5287	0.6946	0.4738	0.2820	1.0612	0.9051
SVM	0.2367	0.3734	0.7644	0.6141	0.7867	0.8529
LR	0.3108	0.3119	0.6907	0.6776	2.0035	1.8318
RF	0.0262	0.1683	0.9739	0.8260	0.4367	0.7098
XGB	0.0164	0.1623	0.9837	0.8323	0.3824	0.5590