使用量子支持向量机进行非溶血性肽分类

IF 2.2 3区 物理与天体物理 Q1 PHYSICS, MATHEMATICAL
Shengxin Zhuang, John Tanner, Yusen Wu, Du Huynh, Wei Liu, Xavier Cadet, Nicolas Fontaine, Philippe Charton, Cedric Damour, Frederic Cadet, Jingbo Wang
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引用次数: 0

摘要

量子机器学习(QML)是量子计算最有前途的应用之一。尽管量子机器学习具有理论上的优势,但鉴于目前噪声中等规模量子设备的限制,量子机器学习技术究竟能用于解决什么样的问题仍不清楚。在这项工作中,我们将研究得很透彻的量子支持向量机(QSVM)这一强大的 QML 模型应用到二元分类任务中,将肽分为溶血性和非溶血性。通过使用三个肽数据集,我们将 QSVM 的性能与一些流行的经典 SVM 进行了对比,其中 QSVM 的总体性能最佳。这项工作的贡献包括(i) 首次将 QSVM 应用于这一特定的多肽分类任务;(ii) 经验结果表明 QSVM 在这一分类任务中的表现优于许多(可能是所有)经典 SVM。这项基础性工作为 QML 在计算生物学中的可能应用提供了洞察力,并通过提高我们识别多肽溶血特性的能力,促进更安全的治疗开发。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Non-hemolytic peptide classification using a quantum support vector machine

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.

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来源期刊
Quantum Information Processing
Quantum Information Processing 物理-物理:数学物理
CiteScore
4.10
自引率
20.00%
发文量
337
审稿时长
4.5 months
期刊介绍: Quantum Information Processing is a high-impact, international journal publishing cutting-edge experimental and theoretical research in all areas of Quantum Information Science. Topics of interest include quantum cryptography and communications, entanglement and discord, quantum algorithms, quantum error correction and fault tolerance, quantum computer science, quantum imaging and sensing, and experimental platforms for quantum information. Quantum Information Processing supports and inspires research by providing a comprehensive peer review process, and broadcasting high quality results in a range of formats. These include original papers, letters, broadly focused perspectives, comprehensive review articles, book reviews, and special topical issues. The journal is particularly interested in papers detailing and demonstrating quantum information protocols for cryptography, communications, computation, and sensing.
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