Quantum surrogate modelling to solve phase field simulation problems in metal solidification

Abstract Variational quantum algorithms (VQAs) are hybrid algorithms that combine quantum computing capabilities with classical machine learning (ML) tasks, utilizing classical optimizers to train parametrized quantum circuits. This work demonstrates their practical utility by addressing regression tasks in an industrially relevant context: modelling dendritic solidification in metals, a process crucial for determining mechanical properties in additive manufacturing. By comparing a classical surrogate model based on extreme gradient boosting with a hybrid classical-quantum VQA model, this work shows that VQAs can serve as a viable alternative for computationally expensive surrogate modelling. These findings highlight the potential of VQAs to tackle complex physical phenomena in high-cost computational scenarios, advancing their application in real-world industrial ML challenges.

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Publication Details

Journal
The Journal of Supercomputing
Published
2025-03-24
DOI
https://doi.org/10.1007/s11227-025-07032-0
Citations
1
Primary Topic
Solidification and crystal growth phenomena
Type
article
Field-Weighted Citation Impact
0.52

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article

Quantum surrogate modelling to solve phase field simulation problems in metal solidification

Meritxell Gómez-Omella, Garate-Perez Eider, Lambarri Jon, Martin Naroa
1 citations
The Journal of Supercomputing
Solidification and crystal growth phenomena
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article

Quantum surrogate modelling to solve phase field simulation problems in metal solidification

Meritxell Gómez-Omella, Garate-Perez Eider, Lambarri Jon, Martin Naroa
article en
1 citations

Abstract

Abstract Variational quantum algorithms (VQAs) are hybrid algorithms that combine quantum computing capabilities with classical machine learning (ML) tasks, utilizing classical optimizers to train parametrized quantum circuits. This work demonstrates their practical utility by addressing regression tasks in an industrially relevant context: modelling dendritic solidification in metals, a process crucial for determining mechanical properties in additive manufacturing. By comparing a classical surrogate model based on extreme gradient boosting with a hybrid classical-quantum VQA model, this work shows that VQAs can serve as a viable alternative for computationally expensive surrogate modelling. These findings highlight the potential of VQAs to tackle complex physical phenomena in high-cost computational scenarios, advancing their application in real-world industrial ML challenges.

The Journal of SupercomputingVol. 81(5)
University of the Basque Country (ES), Centro de Estudios e Investigaciones Técnicas de Gipuzkoa (ES), Fundación Teknon (ES), Donostia International Physics Center (ES), Universidad Carlos III de Madrid (ES)
Euskal Herriko Unibertsitatea, Ekonomiaren Garapen eta Lehiakortasun Saila, Eusko Jaurlaritza
Openalex Percentile: Top 41%
Solidification and crystal growth phenomena
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