TY - JOUR
T1 - Non-hemolytic peptide classification using a quantum support vector machine
AU - Zhuang, Shengxin
AU - Tanner, John
AU - Wu, Yusen
AU - Huynh, Du
AU - Liu, Wei
AU - Cadet, Xavier
AU - Fontaine, Nicolas
AU - Charton, Philippe
AU - Damour, Cedric
AU - Cadet, Frederic
AU - Wang, Jingbo
N1 - Publisher Copyright:
© The Author(s) 2024.
PY - 2024/11
Y1 - 2024/11
N2 - Quantum machine learning (QML) is one of the most promising applications of quantum computation. Despite the theoretical advantages, it is still unclear exactly what kind of problems QML techniques can be used for, given the current limitation of noisy intermediate-scale quantum devices. In this work, we apply the well-studied quantum support vector machine (QSVM), a powerful QML model, to a binary classification task which classifies peptides as either hemolytic or non-hemolytic. Using three peptide datasets, we apply and contrast the performance of the QSVM with a number of popular classical SVMs, out of which the QSVM performs best overall. The contributions of this work include: (i) the first application of the QSVM to this specific peptide classification task and (ii) empirical results showing that the QSVM is capable of outperforming many (and possibly all) classical SVMs on this classification task. This foundational work provides insight into possible applications of QML in computational biology and may facilitate safer therapeutic developments by improving our ability to identify hemolytic properties in peptides.
AB - Quantum machine learning (QML) is one of the most promising applications of quantum computation. Despite the theoretical advantages, it is still unclear exactly what kind of problems QML techniques can be used for, given the current limitation of noisy intermediate-scale quantum devices. In this work, we apply the well-studied quantum support vector machine (QSVM), a powerful QML model, to a binary classification task which classifies peptides as either hemolytic or non-hemolytic. Using three peptide datasets, we apply and contrast the performance of the QSVM with a number of popular classical SVMs, out of which the QSVM performs best overall. The contributions of this work include: (i) the first application of the QSVM to this specific peptide classification task and (ii) empirical results showing that the QSVM is capable of outperforming many (and possibly all) classical SVMs on this classification task. This foundational work provides insight into possible applications of QML in computational biology and may facilitate safer therapeutic developments by improving our ability to identify hemolytic properties in peptides.
KW - Biology
KW - Drug design
KW - Quantum bioinformatics
KW - Quantum computing
KW - Quantum machine learning
KW - Quantum support vector machine
UR - http://www.scopus.com/inward/record.url?scp=85209697824&partnerID=8YFLogxK
U2 - 10.1007/s11128-024-04540-5
DO - 10.1007/s11128-024-04540-5
M3 - Article
AN - SCOPUS:85209697824
SN - 1570-0755
VL - 23
JO - Quantum Information Processing
JF - Quantum Information Processing
IS - 11
M1 - 379
ER -