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Scientific Reports

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

M. Priyadharshini, B. T. V. N. Raju, A. Faritha Banu, Pramod Kumar, Veerasamy Murugesh, Oleg Rybin

Published Jul 22, 2025• 7 citations
Publisher

Abstract

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.

DOI
10.1038/s41598-025-06544-2

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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.
Introduction: In recent years, high-dimensional clinical and genomic data have gained significant importance for prognosis and personalized medicine in breast cancer. But the use of quantum machine learning (QML) on such data is limited by the availability of few qubits, the computation time of quantum simulation, and dimensionality reduction. This work systematically compares several QML architectures for breast cancer classification in the presence of realistic and simulator constraints. Methods: The experiments were performed on a dataset of METABRIC breast cancer patients (2,509 patients). After handling missing values and one-hot encoding, there were 63 features in the processed data set. The feature space was reduced by Principal Component Analysis (PCA) to 12, 4 and 2 components for the implementations of quantum computers, respectively, with 56.10 ± 0.14%, 26.78 ± 0.57% and 16.23 ± 0.33% of the variance retained. Three QML models were tested: Quantum Neural Networks (QNN), Quantum K-Nearest Neighbors (QKNN), and Quantum Support Vector Machines (QSVM), with the models being simulated. Seven classical classification models were tested: Logistic Regression, SVM with RBF kernel, K-Nearest Neighbors, Random Forest, XGBoost, LightGBM and Multilayer Perceptron, both with PCA-matched and full 63-feature representation. All primary results are reported with 5-fold cross validation. Results: Among the evaluated QML architectures, QKNN using 12 principal components achieved the strongest performance, attaining an accuracy of **75.11% ± 3.76%**, an F1-score of **0.7088 ± 0.0433**, and a ROC-AUC of **0.8148 ± 0.0394**. Even though all of the QML models performed significantly poorly in comparison to classical models trained on the entire 63-feature data set, the latter models were able to achieve about **94% accuracy** with XGBoost, Random Forest, and Logistic Regression. The comparison also showed the effect of information loss due to PCA is significant in predictive performance in both classical and quantum models. Discussion: The results show that for high dimensional breast cancer data, currently available simulator-based QML models can learn meaningful patterns with limited quantum resources, but are not as effective as powerful classical machine learning models when complete feature representations are available. The study does not report any sort of quantum advantage or clinical use, but rather a benchmark of current QML architectures that has been rigorously calculated and repeated, with a focus on the impact of dimensionality reduction, validation approaches, and simulator limitations, as well as outlining challenges that need to be overcome prior to practical implementation on real quantum hardware.
Multi-omics integration has become a cornerstone of personalized medicine, enabling researchers to connect genomic, transcriptomic, proteomic, metabolomic, and epigenomic data to reveal complex biological mechanisms and individualized disease signatures. However, the extreme dimensionality, heterogeneity, and nonlinear interactions across omics layers challenge even the most advanced classical machine learning methods. Quantum Machine Learning (QML) offers a powerful alternative by exploiting quantum superposition, entanglement, and high-dimensional feature embeddings to model multi-omics interactions more efficiently. This study proposes a hybrid quantum–classical framework that combines quantum kernel estimation, variational quantum classifiers, and quantum-enhanced feature fusion networks to generate integrative biological signatures for precision diagnostics. Simulation results using benchmark multi-omics datasets demonstrate improved classification accuracy, enhanced sensitivity to weak biological signals, and reduced computational overhead compared to classical baselines. These findings highlight the potential of QML to accelerate multi-omics insights and pave the way toward truly personalized, predictive healthcare.
Quantum computing has reintroduced itself as a breakthrough technology for machine learning, especially in the analysis of massive datasets, especially the genomic ones. The present research focuses on using QML, namely QSVM, to parse sequences, discover features relating to multiple genetic alterations, biomarkers, and gene expression patterns. The data type under consideration, namely genomic data, is high-dimensional and complex, which presents some problems to the computational methods originating from traditional mathematics. QSVM is designed to work with the mathematical foundations of quantum mechanics including superposition and entanglement and for this reason, it solves problems associated with large scale genomic data more efficiently and accurately. The application of QSVM in MEPs confirms its superiority over classical counterparts in classifying gene mutations, clustering of expression profiles or prediction of disease susceptibility. In addition, through feature mapping, QSVM offers better insights into biological information contained on genomic data, as compared to linear correlations. Furthermore, the ability of QML frameworks to expand to fit the increasing amount of data produced by next-generation sequencing technologies is assessed. Leveraging on this research QSVM has been recognised to redefine precision medicine by rapidly diagnosing diseases and providing unique therapeutic options. The results re-echo the potential of QML in transforming CG and promoting future innovations in biomedicine and health.
Quantum machine learning (QML) in the field of disease detection and prediction use quantum computing techniques and algorithms to analyze and classify large datasets of medical information, by identifying subtle patterns and predict the occurrence or progression of diseases. It involves applying machine learning techniques to data from biological and medical research, such as-genomic and proteomic data, medical imaging, electronic health records, and clinical trial data, using quantum computing algorithms and architectures to perform these analyses more efficiently and accurately than classical computing methods. This approach has the potential to provide new insights into complex biological systems and facilitate the development of more effective treatments and personalized medicine. In this paper, a systematic review of the use of QML algorithms has been conducted, which focuses on the detection and prediction of diseases among patients. The current essence of the field along with the challenges and limitations of current works have also been discussed. After evaluating the implemented and proposed methods of data analysis, algorithm development, usefulness and efficiency of the system in various disease detection and prediction, a recommendation was made on the open research scopes in this field at the end of the paper.
The computational intractability of the analysis of multimodal large-dimensional data, including genomics, electronic health records (EHR), proteomics, and real-world evidence, based on classical machine learning (ML) models, is the fundamental limitation of the precision medicine and proactive pharmacovigilance paradigm. Such models can also have problems modeling complex, non-linear feature interactions important to detect diseases at an early stage and to detect rare adverse drug events (ADEs). To address these shortcomings, this paper is suggesting a new hybrid quantumclassical framework of computation. We make use of the unique ability of the quantum computation, like superposition and entanglement to create more powerful predictive models. The encoding of the multimodal clinical and pharmacological data into quantum states (via specialized feature maps) followed by processing by Variational Quantum Classifiers (VQC) and Quantum Support Vector Machines (QSVM) on simulated quantum processors, is our framework. To benchmark, we made two major tasks: Type 2 Diabetes (T2D) early-stage prediction based on synthetic multimodal data and identification of rare ADE based on a curated selection of FDA Adverse Event Reporting System (FAERS). The outcome of the simulations indicates that our quantum-based models are always more effective than the classical models, such as the XGBoost and Deep Neural Networks, especially when it comes to sensitivity and F1 score in imbalanced class issues. QSVM model obtained an AUC ROC that is 7.3 percent greater than the optimal classical model, and a 15 percent greater recall than the optimal classical model in T2D prediction and rare ADE detection, respectively. This data supports the fact that quantum machine learning (QML) can be used to bring in a new dawn of predictive analytics in healthcare, and that it provides the way to more accurate, comprehensive, and proactive medical care.
Quantum Machine Learning (QML) has emerged as a paradigm that combines the computational advantages of quantum computing with the predictive capabilities of machine learning to address complex data classification problems. As data dimensionality increases rapidly and classical learning algorithms face scalability constraints, QML leverages quantum parallelism, entanglement, and high-dimensional Hilbert space representations to enhance learning performance. This paper reviews and analyses advanced QML algorithms, including Quantum Support Vector Machines (QSVM), Variational Quantum Circuits (VQC), Quantum Neural Networks (QNN), and Quantum Kernel Estimation, for optimizing both binary and multi-class classification tasks under high-complexity conditions. The proposed QML framework is evaluated on benchmark datasets like MNIST, the Breast Cancer Wisconsin (BCW) dataset, and synthetic nonlinear datasets, and is compared against classical machine learning baselines, including Support Vector Machines (SVM), Random Forests (RF), and Deep Neural Networks (DNN). The results demonstrate notable improvements in classification accuracy (up to 96.8%), decision margins, and computational efficiency in quantum-suitable data regimes, while also highlighting current limitations related to noise, circuit depth, and hardware constraints. Overall, the study presents a unified QML framework, theoretical formulations, and experimental evaluations that illustrate the potential of quantum algorithms for next-generation classification tasks.