This record contains the reproducibility materials for the Quantum Biomarker Discovery in Multi-Omics (QuBID-Omics) study of lung adenocarcinoma (LUAD) and lung squamous cell carcinoma (LUSC) classification. It includes scripts for training-only RNA and DNA biomarker discovery, RNA–DNA feature integration, quantum neural network (QNN) and classical-baseline modeling, IBM Fez quantum-processing-unit inference, and CPTAC external validation. The release also provides ordered gene–CpG feature lists, CPTAC feature mappings, and prepared TCGA train/validation/test and CPTAC external-validation matrices for Samples 1–3. See the README for the workflow, data organization, label coding, and execution requirements.
This record contains the reproducibility materials for the Quantum Biomarker Discovery in Multi-Omics (QuBID-Omics) study of lung adenocarcinoma (LUAD) and lung squamous cell carcinoma (LUSC) classification. It includes scripts for training-only RNA and DNA biomarker discovery, RNA–DNA feature integration, quantum neural network (QNN) and classical-baseline modeling, IBM Fez quantum-processing-unit inference, and CPTAC external validation. The release also provides ordered gene–CpG feature lists, CPTAC feature mappings, and prepared TCGA train/validation/test and CPTAC external-validation matrices for Samples 1–3. See the README for the workflow, data organization, label coding, and execution requirements.
Quantum machine learning offers a promising new paradigm for computational biology by leveraging quantum mechanical principles to enhance cancer classification, biomarker discovery, and bioinformatics diagnostics. In this study, we apply QML to identify subtype specific biomarkers for lung adenocarcinoma (LUAD) and lung squamous cell carcinoma (LUSC), the two predominant forms of non-small cell lung cancer. Our methodology involves a two-phase process: in Phase 1, differential expression analysis and methylation analysis between tumor and normal samples allows us to identify LUAD-specific and LUSC-specific genes, revealing potential prognostic biomarkers for cancer subtypes. Phase 2 focuses on developing a quantum classifier capable of distinguishing between LUAD and LUSC tumors, as well as between tumor and normal samples. This classifier not only enhances diagnostic precision but also demonstrates the quantum advantage in processing large-scale multiomic datasets. Our results consistently demonstrated that Sample3, representing the combined gene set, achieved the highest overall predictive performance in all metrics. These results demonstrate that QML provides an effective and scalable approach for biomarker discovery and subtype specific cancer classification. GO enrichment analysis highlighted the significant involvement of genes in synaptic signaling, ion channel regulation, and neuronal development. In the quantum phase, KEGG analysis further identified enrichment in cancer-associated pathways, including neurotrophin, MAPK, Ras, and PI3KAkt signaling, with key genes such as NGFR, NTRK2, and NTF3 suggesting a central role in neurotrophinmediated oncogenic processes. Our findings highlight the growing potential of quantum computing to advance precision oncology and next-generation biomedical analytics.
Quantum machine learning (QML) presents novel opportunities for resolving, accelerating, and refining computational biology challenges. In biomedical research and personalized medicine, multi-omics integration offers a comprehensive understanding of complex biological systems, bridging the gap between basic research and clinical applications. Recent advancements in quantum computing could enhance multi-omics integration by leveraging unique quantum principles, potentially revealing intricate patterns in multi-omics datasets and offering new insights into the molecular landscape of lung cancer. This study focuses on the integration, feature selection, diagnostic classification, and biomarker identification of lung cancer types-LUAD primary tumor and solid tissue normal-using QML. Given the heterogeneity and high dimensionality of the data, we aim to assess the performance of QML in feature selection, reduction, encoding, and diagnostic classification in integrated multi-omics cancer datasets. We demonstrate the efficacy of Quantum Neural Networks (QNNs) for classifying multi-omics lung cancer data from The Cancer Genome Atlas, comparing our framework with 16 and 64 dimensions of feature using QML. Our results show that the Multi-omic Quantum Machine Learning (MQML) framework achieves superior classification performance with smaller training datasets, as determined by significant and non-significant p-values. This study provides empirical evidence for the potential application of unconventional computing approaches in biomed-ical sciences, particularly in oncology research, including cancer subtype diagnostic, survival, and stage classification. Key results include the identification of sixteen genes and thirty-two genes with the hybrid quantum-classical neural net-work model, with notable genes such as MIR632, CYP19A1, RP11-108K3.1, C14orf39, THUMPD1, ACSM3, GSC, MIR92a-2, DYRK1B, DNAJA1, IRX1, FMR1, POU2F2, MIR9-2, ZNF274, MIR196a-1, MIR3653, MIR33b, MIR301a, MIR182, MIR520a, PYGO2, EMX2OS, EMX2, RP11-550F7.1, RPS11, MIR20a, EIF4G2, IGLV1-47, RP11-180M15.7, SCYL3, AC107081.5, C2orf47, FST, MIR7-1, SLC22A18, CLDN5, and AC007879.7 identified as having significant and non-significant p-values asso-ciated with LUAD patient predictions.
Subtyping of lung cancer is crucial for individualized treatment and optimizing outcomes. Computational modeling allows data analysis over large scales, which helps in making precision classification in large datasets or high-dimensional datasets. Conventional machine learning methods perform well, but integration of multi-omic data (DNA, RNA, miRNA) is challenging in cancer subtyping because of high dimensionality and complex inter-omic relationships. To bypass this Quantum machine learning (QML) provides better ability to navigate high-dimensional biological data with many variables using quantum computational concepts that can identify fine patterns or small-scale patterns beyond the capability of classical approaches. Through the integration of quantum computing principles with the machine learning framework, the study highlights the improvement of computer technology. The framework shows how the system is optimized with the help of quantum principles, how it can improve accuracy, parallel processing and reducing latency. In this work, we have combined data on miRNA, RNA expression, and DNA methylation to create a complete workflow for classifying cancer. This method uses a wide variety of feature selection techniques, such as random forest-based selection, chi-square, mutual information(MI), and principal component analysis(PCA).In order to illustrate the notion of quantum advantage, we carefully compare the performance metrics of the Quantum Support Vector Classifier (QSVC) to the classical Support Vector Machine (SVM), using a ZZ feature map quantum kernel as our baseline for analysis. Using five-fold crossvalidation, we have also verified that the quantum has an advantage with consistently lower variance and higher accuracy.
Quantum machine learning (QML) combines quantum computing with machine learning, offering potential for solving intricate problems. Our research delves into QML's application in identifying gene expression biomarkers for clear cell renal cell carcinoma (ccRCC) metastasis. ccRCC, the primary renal cancer subtype, poses significant challenges due to its high lethality and complex metastasis process. Despite extensive research, understanding the mechanisms of cancer cell dissemination and establishment in distant sites remains elusive. Identifying metastasis biomarkers is a daunting task in machine learning. Our study addresses the need for improved execution time and accuracy in QSVC and QNN algorithms compared to SVC and NN for binary classification. Drawing inspiration from the Neural Quantum Embedding (NQE) method, we propose a two-stage approach for the binary classification problem. We aim to assess if integrating NQE with QSVC/QNN enhances performance compared to NQE with SVC/NN across diverse biomedical datasets, demonstrating the effectiveness and generalizability of the approach.
Cancer prognosis prediction faces challenges such as complex multimodal data and computational inefficiencies, leading to delayed clinical decisions. This paper proposes a novel hybrid quantum-classical neural network (HQNN) framework for enhanced predictive analytics in oncology. By integrating quantum variational circuits with classical convolutional neural networks (CNN) and real-time multimodal data (genomic and imaging), the framework achieves classification accuracy of 92. 5 %, outperforming traditional CNNs (80.5 %) and deep neural networks (DNNs, 85.5%) in the TCGA dataset. The methodology includes data preprocessing, quantum feature encoding, and real-time prediction. Tested on 10,340 samples across 33 cancer types, the HQNN reduces inference time by 20 % and improves accuracy by 12 % over baselines. This work underscores the potential of QNNs to transform precision oncology, enabling faster and more accurate prognosis predictions to support clinical decision-making.
The ability to accurately classify disease subtypes is of vital importance, especially in oncology where this capability could have a life saving impact. Here we report a classification between two subtypes of non-small cell lung cancer, namely Adeno- carcinoma vs Squamous cell carcinoma. The data consists of approximately 20,000 gene expression values for each of 104 patients. The data was curated from [1] [2]. We used an amalgamation of classical and and quantum machine learning models to successfully classify these patients. We utilized feature selection methods based on univariate statistics in addition to XGBoost [3]. A novel and proprietary data representation method developed by one of the authors called QCrush was also used as it was designed to incorporate a maximal amount of information under the size constraints of the D-Wave quantum annealing computer. The machine learning was performed by a Quantum Boltzmann Machine. This paper will report our results, the various classical methods, and the quantum machine learning approach we utilized.