Abstract Principal component analysis (PCA) is an important dimensionality reduction method in machine learning and data analysis. Recently, the quantum version of PCA has been established to diagonalize quantum states. Although these quantum algorithms promise quantum advantages, they require substantial resources beyond the reach of state-of-the-art quantum technologies. This work aims to reduce resource requirements and improve the efficiency of quantum PCA. Assuming that the quantum state is accessed through a purified quantum query model and a sampling model, we propose quantum algorithms that use minimal resource requirements for ancillary qubits to reveal properties of eigenvectors and eigenvalues of a state. In particular, we show that estimating eigenvalue λ with error ε and success probability larger than λ ( 1 − η ) requests a query complexity O ~ ( ϵ − 1 ) and a sample complexity O ~ ( ϵ − 2 η − 1 ) , respectively. To our knowledge, our result is the first quantum speedup that achieves asymptotic linear scaling in 1 / ϵ for quantum PCA. As applications, we discuss estimating the minimum relative entropy of entanglement of bipartite pure-states and performing quantum state discrimination tasks. We show that quantum speedups are maintained when the pure state has a low Schmidt number and states of discrimination have a low rank. This study opens up a new quantum PCA method for high-dimensional quantum data analysis and discusses its application in quantum information processing tasks.
Abstract Principal component analysis (PCA) is an important dimensionality reduction method in machine learning and data analysis. Recently, the quantum version of PCA has been established to diagonalize quantum states. Although these quantum algorithms promise quantum advantages, they require substantial resources beyond the reach of state-of-the-art quantum technologies. This work aims to reduce resource requirements and improve the efficiency of quantum PCA. Assuming that the quantum state is accessed through a purified quantum query model and a sampling model, we propose quantum algorithms that use minimal resource requirements for ancillary qubits to reveal properties of eigenvectors and eigenvalues of a state. In particular, we show that estimating eigenvalue λ with error ε and success probability larger than λ ( 1 − η ) requests a query complexity O ~ ( ϵ − 1 ) and a sample complexity O ~ ( ϵ − 2 η − 1 ) , respectively. To our knowledge, our result is the first quantum speedup that achieves asymptotic linear scaling in 1 / ϵ for quantum PCA. As applications, we discuss estimating the minimum relative entropy of entanglement of bipartite pure-states and performing quantum state discrimination tasks. We show that quantum speedups are maintained when the pure state has a low Schmidt number and states of discrimination have a low rank. This study opens up a new quantum PCA method for high-dimensional quantum data analysis and discusses its application in quantum information processing tasks.
Abstract Kernel principal component analysis (kernel PCA) is a nonlinear dimensionality reduction technique that employs kernel functions to map data into a high-dimensional feature space, thereby extending the applicability of linear PCA to nonlinear data and facilitating the extraction of informative principal components. However, kernel PCA necessitates the manipulation of large-scale matrices, leading to high computational complexity and posing challenges for efficient implementation in big data environments. Quantum computing has recently been integrated with kernel methods in machine learning, enabling effective analysis of input data within intractable feature spaces. Although existing quantum kernel PCA proposals promise exponential speedups, they impose stringent requirements on quantum hardware that are challenging to fulfill. In this work, we propose a quantum algorithm for kernel PCA by establishing a connection between quantum kernel methods and block encoding, thereby diagonalizing the centralized kernel matrix on a quantum computer. The query complexity is logarithmic with respect to the size of the data vector, D , and linear with respect to the size of the dataset. An exponential speedup could be achieved when the dataset consists of a few high-dimensional vectors, wherein the dataset size is polynomial in log ( D ) , with D being significantly large. In contrast to existing work, our algorithm enhances the efficiency of quantum kernel PCA and reduces the requirements for quantum hardware. Furthermore, we have also demonstrated that the algorithm based on block encoding matches the lower bound of query complexity, indicating that our algorithm is nearly optimal. Our research has laid down new pathways for developing quantum machine learning algorithms aimed at addressing tangible real-world problems and demonstrating quantum advantages within machine learning.
This essential resource bridges the gap between classical data limitations and the future of computing, giving you the scalable, quantum-accelerated PCA strategies needed to conquer today’s massive, high-dimensional datasets. With the rapid growth of big data in fields such as genomics, internet traffic analysis, and social network data, traditional principal component analysis methods have reached their limits in terms of scalability and computational efficiency. This volume delves into cutting-edge advancements in principal component analysis (PCA), particularly focusing on its applications in handling high-dimensional and large-scale datasets. It also provides practical insights into how PCA can be applied to fields such as machine learning, bioinformatics, and finance. Through real-world case studies, hands-on examples, and guidance on implementing PCA using modern software tools and libraries, the book presents essential principles in quantum information theory and quantum algorithms, establishing the groundwork necessary to comprehend how quantum computing may expedite and improve PCA procedures. This work examines quantum algorithms for matrix decomposition, analyzes the computational benefits of quantum PCA compared to classical approaches, and showcases real applications in quantum machine learning, encryption, and quantum chemistry. Ultimately, this book will serve as a valuable resource for researchers, students, and professionals looking to the future of high-dimensional data analysis and how to apply efficient, scalable methods to PCA in their work.
Principal component analysis (PCA) is traditionally implemented through a covariance or kernel matrix, leading-eigenvector extraction, and hard rank-k projection. These steps can be computationally costly in high-dimensional and quantum-data settings, sensitive to small eigengaps, and unnecessary when downstream tasks only require principal-subspace scores. Such score-based objectives are important in applications such as anomaly detection, spectral-energy profiling, and other postselection tasks. To address these needs, we introduce a measurement-based soft PCA framework replacing the hard top-k projector with an entropy-regularized Fermi--Dirac filter. This filter is the unique optimizer of an entropy-regularized variational formulation of PCA and converges to the classical PCA projector in the zero-temperature limit.
This filter has a direct interpretation as a quantum measurement, which naturally suggests a quantum approach. For centered covariance operators represented by quantum feature states, a single fixed circuit, together with threshold calibration, accesses all optimal filters for different rank budgets or retained-variance levels without rank-dependent circuit updates or eigenvector recovery. For new inputs, the same calibrated quantum circuit yields soft principal subspace scores, spectral energy profiles, and postselected filtered states. The required centering of both training and test data is performed coherently inside the quantum protocol, which is particularly important for quantum data where no classical feature vectors or centered Gram matrix are directly available. By reframing PCA as a calibrated measurement task, this framework bypasses the need for iterative eigenvector extraction and achieves a dimension-independent sample complexity O(η−2) for normalized fractional-rank or retained variance scoring at additive accuracy η.
Abstract This research explores the potential of quantum computing in data analysis, focusing on the efficient analysis of high-dimensional quantum datasets using dimensionality reduction techniques. The study aims to fill the knowledge gap by developing robust quantum dimensionality reduction techniques that can mitigate noise and errors. The research methodology involved a comprehensive review and analysis of existing quantum dimensionality reduction techniques, such as quantum principal component analysis, quantum linear discriminant analysis and quantum generative models. The study also explored the limitations imposed by NISQ devices and proposed strategies to adapt these techniques to work efficiently within these constraints. The key results demonstrate the potential of quantum dimensionality reduction techniques to effectively reduce the dimensionality of high-dimensional quantum datasets while preserving critical quantum information. The evaluation of quantum principal component analysis, quantum linear discriminant analysis and quantum generative models showed their effectiveness in improving quantum data analysis, particularly in improving simulation speed and predicting properties. Despite the challenges posed by noise and errors, robust quantum dimensionality reduction methods showed promise in mitigating these effects and preserving quantum information. Finally, this research contributes to the advancement of quantum data analysis by presenting a comprehensive analysis of quantum dimensionality reduction techniques and their applications. It highlights the importance of developing robust quantum feature learning methods that can operate efficiently in noisy quantum environments, especially in the NISQ era.
Principal component analysis (PCA) is a widely used tool in machine learning algorithms, but it can be computationally expensive. In 2014, Lloyd, Mohseni & Rebentrost proposed a quantum PCA (qPCA) algorithm [Nat. Phys. 10, 631 (2014)] that has not yet been experimentally demonstrated due to challenges in preparing multiple quantum state copies and implementing quantum phase estimations. In this study, we presented a hardware-efficient approach for qPCA, utilizing an iterative approach that effectively resets the relevant qubits in a nuclear magnetic resonance (NMR) quantum processor. Additionally, we introduced a quantum scattering circuit that efficiently determines the eigenvalues and eigenvectors (principal components). As an important application of PCA, we focused on classifying thoracic CT images from COVID-19 patients and achieved high accuracy in image classification using the qPCA circuit implemented on the NMR system. Our experiment highlights the potential of near-term quantum devices to accelerate qPCA, opening up new avenues for practical applications of quantum machine learning algorithms.
The era of big data has made traditional machine learning algorithms struggle with high-dimensional, nonlinear datasets due to high computational resource consumption, long training times, and limited generalization. Quantum computing, with its exponential parallelism from qubit superposition and entanglement, offers new hope for machine learning. Local Sensitive Discriminant Analysis (LSDA) algorithm is a widely used dimensionality reduction technique in machine learning. However, it is time-consuming when handling large-scale high-dimensional data. This paper proposed a quantum version of LSDA algorithm, which transforms the generalized eigenvalue problem in LSDA into a Hermitian eigenvalue problem, solved using quantum phase estimation and block-encoding techniques. Two post-processing strategies are provided to obtain low-dimensional data for quantum or classical machine learning tasks. The quantum LSDA algorithm obtains polynomial speedups compared to the classical LSDA in terms of the number of data points and dimensionality, showing the potential of quantum technique to boost machine learning efficiency.