利用蛋白质组学数据预测多发性骨髓瘤药物敏感性的量子机器学习框架。

IF 3.9 2区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES
M Priyadharshini, B Deevena Raju, A Faritha Banu, P Jagdish Kumar, V Murugesh, Oleg Rybin
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引用次数: 0

摘要

在本文中,我们介绍了QProteoML,一个新的量子机器学习(QML)框架,用于使用高维蛋白质组学数据预测多发性骨髓瘤(MM)的药物敏感性。MM是一种异质性极强的疾病,对治疗的反应往往是混合的,大量患者对蛋白酶体抑制剂和免疫调节剂表现出耐药性。然而,先前用于基因组和蛋白质组学数据分析技术的方法受到高维、不平衡类分布和特征冗余等问题的困扰,这些问题不利于这些方法的准确可预测性和泛化性。这些都与所谓的“维度诅咒”相结合,维度数量远远超过样本数量,因此经典模型过度拟合。在这项工作中,我们提出QProteoML作为量子技术的集成,专门用于处理高维,不平衡和冗余数据。该框架集成了用于特征选择的量子支持向量机(QSVM)、量子主成分分析(qPCA)、量子退火(QA)和用于数据增强的量子生成对抗网络(qgan)的组合。这些量子算法利用某些量子现象(叠加和纠缠)来执行非线性关系、降维和类不平衡问题的建模。QSVM利用量子核将数据映射到高维Hilbert空间,使模型能够检测MM耐药性的复杂模式。qPCA在不损失重要方差的情况下降低了维数,从而提高了计算效率。此外,量子退火成功地提取了信息量最大的低冗余生物标志物。通过比较支持向量机(SVM)、随机森林(RF)、逻辑回归(LR)和k近邻(KNN)等经典机器学习模型的准确率、F1评分和AUC ROC,对QProteoML进行了实验检验。我们的研究结果表明,QProteoML比经典模型表现更好,特别是在识别耐药少数患者类别方面。此外,该模型是可解释的,并强调了MM中药物敏感性的重要生物标志物。本研究为多发性骨髓瘤个性化医疗的量子机器学习开辟了可能性。这表明量子算法可以执行复杂的生物数据,从而提出更可靠和准确的药物敏感性预测。未来的研究将针对更大、更多样化的MM患者队列对给定系统进行临床验证;量子硬件集成的实际应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

A quantum machine learning framework for predicting drug sensitivity in multiple myeloma using proteomic data.

A quantum machine learning framework for predicting drug sensitivity in multiple myeloma using proteomic data.

A quantum machine learning framework for predicting drug sensitivity in multiple myeloma using proteomic data.

A quantum machine learning framework for predicting drug sensitivity in multiple myeloma using proteomic data.

In this paper, we introduce QProteoML, a new quantum machine learning (QML) framework for predicting drug sensitivity in Multiple Myeloma (MM) using high-dimensional proteomic data. MM, an extremely heterogeneous condition, displays often mixed responses to treatment, with a large number of patients showing drug resistance to proteasome inhibitors and immune modulatory agents. However, the methods previously used for genomic and proteomic data analysis techniques are plagued by issues of high dimensionality, imbalanced class distribution and feature redundancy, which work against the accurate predictability and generalizability of such methods. These are compounded by the so-called "curse of dimensionality", with dimensions far outnumbering samples, hence classical model overfitting. In this work, we present QProteoML as an integration of quantum techniques purposefully developed to deal with high-dimensional, imbalanced and redundant data. The framework integrates a combination of Quantum Support Vector Machine (QSVM), Quantum Principal Component Analysis (qPCA), Quantum Annealing (QA) for feature selection and Quantum Generative Adversarial Networks (QGANs) for data augmentation. These quantum algorithms exploit certain quantum phenomena (superposition and entanglement) to perform modelling of nonlinear relationships, dimensionality reduction, and class-imbalance issues. QSVM employs quantum kernels to map data into a higher-dimensional Hilbert space, so that the model can detect complex patterns in MM drug resistance. qPCA reduces dimensionality without loss of important variance, and thus improves computation efficiency. In addition, Quantum Annealing successfully extracts the most informative biomarkers with low redundancy. QProteoML was experimentally tested by comparing accuracy, F1 score and AUC ROC between classical machine learning models such as Support Vector Machine (SVM), Random Forest (RF), Logistic Regression (LR), and K-Nearest Neighbors (KNN). Our results demonstrate that QProteoML performs better than classical models, particularly in identifying the drug resistant minority class of patients. Additionally, the model is interpretable and stresses important biomarkers of drug sensitivity in MM. This research opens the possibility of quantum machine learning in personalised medicine for Multiple Myeloma. It demonstrates that quantum algorithms can perform complex biological data suggesting more reliable and accurate drug sensitivity predictions. Future research will be directed toward clinical validation of the given system with larger and more diverse cohorts of MM patients; the integration of quantum hardware for practical applications.

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来源期刊
Scientific Reports
Scientific Reports Natural Science Disciplines-
CiteScore
7.50
自引率
4.30%
发文量
19567
审稿时长
3.9 months
期刊介绍: We publish original research from all areas of the natural sciences, psychology, medicine and engineering. You can learn more about what we publish by browsing our specific scientific subject areas below or explore Scientific Reports by browsing all articles and collections. Scientific Reports has a 2-year impact factor: 4.380 (2021), and is the 6th most-cited journal in the world, with more than 540,000 citations in 2020 (Clarivate Analytics, 2021). •Engineering Engineering covers all aspects of engineering, technology, and applied science. It plays a crucial role in the development of technologies to address some of the world''s biggest challenges, helping to save lives and improve the way we live. •Physical sciences Physical sciences are those academic disciplines that aim to uncover the underlying laws of nature — often written in the language of mathematics. It is a collective term for areas of study including astronomy, chemistry, materials science and physics. •Earth and environmental sciences Earth and environmental sciences cover all aspects of Earth and planetary science and broadly encompass solid Earth processes, surface and atmospheric dynamics, Earth system history, climate and climate change, marine and freshwater systems, and ecology. It also considers the interactions between humans and these systems. •Biological sciences Biological sciences encompass all the divisions of natural sciences examining various aspects of vital processes. The concept includes anatomy, physiology, cell biology, biochemistry and biophysics, and covers all organisms from microorganisms, animals to plants. •Health sciences The health sciences study health, disease and healthcare. This field of study aims to develop knowledge, interventions and technology for use in healthcare to improve the treatment of patients.
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