Quantum machine learning models incorporating data re-uploading circuits have garnered significant attention due to their exceptional expressivity and trainability. However, their ability to generate accurate predictions on unseen data, referred to as the predictive performance, remains insufficiently investigated. This study reveals a fundamental limitation in predictive performance when deep encoding layers are employed within the data re-uploading model. Concretely, we theoretically demonstrate that when processing high-dimensional data with limited-qubit data re-uploading models, their predictive performance progressively degenerates to near random-guessing levels as the number of encoding layers increases. In this context, the repeated data uploading cannot mitigate the performance degradation. These findings are validated through experiments on both synthetic linearly separable datasets and real-world datasets. Our results demonstrate that when processing high-dimensional data, the quantum data re-uploading models should be designed with wider circuit architectures rather than deeper and narrower ones.
Effective and accurate diagnosis of diseases such as cancer, diabetes, and heart failure is crucial for timely medical intervention and improving patient survival rates. Machine learning has revolutionized diagnostic methods in recent years by developing classification models that detect diseases based on selected features. However, these classification tasks are often highly imbalanced, limiting the performance of classical models. Quantum models offer a promising alternative, exploiting their ability to express complex patterns by operating in a higher-dimensional computational space through superposition and entanglement. These unique properties make quantum models potentially more effective in addressing the challenges of imbalanced datasets. This work evaluates the potential of quantum classifiers in healthcare, focusing on Quantum Neural Networks (QNNs) and Quantum Support Vector Machines (QSVMs), comparing them with popular classical models. The study is based on three well-known healthcare datasets -- Prostate Cancer, Heart Failure, and Diabetes. The results indicate that QSVMs outperform QNNs across all datasets due to their susceptibility to overfitting. Furthermore, quantum models prove the ability to overcome classical models in scenarios with high dataset imbalance. Although preliminary, these findings highlight the potential of quantum models in healthcare classification tasks and lead the way for further research in this domain.
We present Qiskit Machine Learning (ML), a high-level Python library that combines elements of quantum computing with traditional machine learning. The API abstracts Qiskit's primitives to facilitate interactions with classical simulators and quantum hardware. Qiskit ML started as a proof-of-concept code in 2019 and has since been developed to be a modular, intuitive tool for non-specialist users while allowing extensibility and fine-tuning controls for quantum computational scientists and developers. The library is available as a public, open-source tool and is distributed under the Apache version 2.0 license.
Quantum machine learning (QML) models, like their classical counterparts, are vulnerable to adversarial attacks, hindering their secure deployment. Here, we report the first systematic experimental robustness benchmark for 20-qubit quantum neural network (QNN) classifiers executed on a superconducting processor. Our benchmarking framework features an efficient adversarial attack algorithm designed for QNNs, enabling quantitative characterization of adversarial robustness and robustness bounds. From our analysis, we verify that adversarial training reduces sensitivity to targeted perturbations by regularizing input gradients, significantly enhancing QNN's robustness. Additionally, our analysis reveals that QNNs exhibit superior adversarial robustness compared to classical neural networks, an advantage attributed to inherent quantum noise. Furthermore, the empirical upper bound extracted from our attack experiments shows a minimal deviation ($3 \times 10^{-3}$) from the theoretical lower bound, providing strong experimental confirmation of the attack's effectiveness and the tightness of fidelity-based robustness bounds. This work establishes a critical experimental framework for assessing and improving quantum adversarial robustness, paving the way for secure and reliable QML applications.
Data encoding plays a fundamental and distinctive role in Quantum Machine Learning (QML). While classical approaches process data directly as vectors, QML may require transforming classical data into quantum states through encoding circuits, known as quantum feature maps or quantum embeddings. This step leverages the inherently high-dimensional and non-linear nature of Hilbert space, enabling more efficient data separation in complex feature spaces that may be inaccessible to classical methods. This encoding part significantly affects the performance of the QML model, so it is important to choose the right encoding method for the dataset to be encoded. However, this choice is generally arbitrary, since there is no "universal" rule for knowing which encoding to choose based on a specific set of data. There are currently a variety of encoding methods using different quantum logic gates. We studied the most commonly used types of encoding methods and benchmarked them using different datasets.
The rapid advancements in quantum computing (QC) and machine learning (ML) have sparked significant interest, driving extensive exploration of quantum machine learning (QML) algorithms to address a wide range of complex challenges. The development of high-performance QML models requires expert-level expertise, presenting a key challenge to the widespread adoption of QML. Critical obstacles include the design of effective data encoding strategies and parameterized quantum circuits, both of which are vital for the performance of QML models. Furthermore, the measurement process is often neglected-most existing QML models employ predefined measurement schemes that may not align with the specific requirements of the targeted problem. We propose an innovative framework that renders the observable of a quantum system-specifically, the Hermitian matrix-trainable. This approach employs an end-to-end differentiable learning framework, enabling simultaneous optimization of the neural network used to program the parameterized observables and the standard quantum circuit parameters. Notably, the quantum observable parameters are dynamically programmed by the neural network, allowing the observables to adapt in real time based on the input data stream. Through numerical simulations, we demonstrate that the proposed method effectively programs observables dynamically within variational quantum circuits, achieving superior results compared to existing approaches. Notably, it delivers enhanced performance metrics, such as higher classification accuracy, thereby significantly improving the overall effectiveness of QML models.
The rapid advancements in quantum computing (QC) and machine learning (ML) have led to the emergence of quantum machine learning (QML), which integrates the strengths of both fields. Among QML approaches, variational quantum circuits (VQCs), also known as quantum neural networks (QNNs), have shown promise both empirically and theoretically. However, their broader adoption is hindered by reliance on quantum hardware during inference. Hardware imperfections and limited access to quantum devices pose practical challenges. To address this, the Quantum-Train (QT) framework leverages the exponential scaling of quantum amplitudes to generate classical neural network parameters, enabling inference without quantum hardware and achieving significant parameter compression. Yet, designing effective quantum circuit architectures for such quantum-enhanced neural programmers remains non-trivial and often requires expertise in quantum information science. In this paper, we propose an automated solution using differentiable optimization. Our method jointly optimizes both conventional circuit parameters and architectural parameters in an end-to-end manner via automatic differentiation. We evaluate the proposed framework on classification, time-series prediction, and reinforcement learning tasks. Simulation results show that our method matches or outperforms manually designed QNN architectures. This work offers a scalable and automated pathway for designing QNNs that can generate classical neural network parameters across diverse applications.
The emergence of hybrid quantum-classical machine learning (HQML) models opens new horizons of computational intelligence but their fundamental complexity frequently leads to black box behavior that undermines transparency and reliability in their application. Although XAI for quantum systems still in its infancy, a major research gap is evident in robust global and local explainability approaches that are designed for HQML architectures that employ quantized feature encoding followed by classical learning. The gap is the focus of this work, which introduces QuXAI, an framework based upon Q-MEDLEY, an explainer for explaining feature importance in these hybrid systems. Our model entails the creation of HQML models incorporating quantum feature maps, the use of Q-MEDLEY, which combines feature based inferences, preserving the quantum transformation stage and visualizing the resulting attributions. Our result shows that Q-MEDLEY delineates influential classical aspects in HQML models, as well as separates their noise, and competes well against established XAI techniques in classical validation settings. Ablation studies more significantly expose the virtues of the composite structure used in Q-MEDLEY. The implications of this work are critically important, as it provides a route to improve the interpretability and reliability of HQML models, thus promoting greater confidence and being able to engage in safer and more responsible use of quantum-enhanced AI technology. Our code and experiments are open-sourced at: https://github.com/GitsSaikat/QuXAI
Typhoon trajectory forecasting is essential for disaster preparedness but remains computationally demanding due to the complexity of atmospheric dynamics and the resource requirements of deep learning models. Quantum-Train (QT), a hybrid quantum-classical framework that leverages quantum neural networks (QNNs) to generate trainable parameters exclusively during training, eliminating the need for quantum hardware at inference time. Building on QT's success across multiple domains, including image classification, reinforcement learning, flood prediction, and large language model (LLM) fine-tuning, we introduce Quantum Parameter Adaptation (QPA) for efficient typhoon forecasting model learning. Integrated with an Attention-based Multi-ConvGRU model, QPA enables parameter-efficient training while maintaining predictive accuracy. This work represents the first application of quantum machine learning (QML) to large-scale typhoon trajectory prediction, offering a scalable and energy-efficient approach to climate modeling. Our results demonstrate that QPA significantly reduces the number of trainable parameters while preserving performance, making high-performance forecasting more accessible and sustainable through hybrid quantum-classical learning.
Practical Quantum Machine Learning (QML) is challenged by noise, limited scalability, and poor trainability in Variational Quantum Circuits (VQCs) on current hardware. We propose a multi-chip ensemble VQC framework that systematically overcomes these hurdles. By partitioning high-dimensional computations across ensembles of smaller, independently operating quantum chips and leveraging controlled inter-chip entanglement boundaries, our approach demonstrably mitigates barren plateaus, enhances generalization, and uniquely reduces both quantum error bias and variance simultaneously without additional mitigation overhead. This allows for robust processing of large-scale data, as validated on standard benchmarks (MNIST, FashionMNIST, CIFAR-10) and a real-world PhysioNet EEG dataset, aligning with emerging modular quantum hardware and paving the way for more scalable QML.
We introduce a distributed quantum-classical framework that synergizes photonic quantum neural networks (QNNs) with matrix-product-state (MPS) mapping to achieve parameter-efficient training of classical neural networks. By leveraging universal linear-optical decompositions of $M$-mode interferometers and photon-counting measurement statistics, our architecture generates neural parameters through a hybrid quantum-classical workflow: photonic QNNs with $M(M+1)/2$ trainable parameters produce high-dimensional probability distributions that are mapped to classical network weights via an MPS model with bond dimension $\chi$. Empirical validation on MNIST classification demonstrates that photonic QT achieves an accuracy of $95.50\% \pm 0.84\%$ using 3,292 parameters ($\chi = 10$), compared to $96.89\% \pm 0.31\%$ for classical baselines with 6,690 parameters. Moreover, a ten-fold compression ratio is achieved at $\chi = 4$, with a relative accuracy loss of less than $3\%$. The framework outperforms classical compression techniques (weight sharing/pruning) by 6--12\% absolute accuracy while eliminating quantum hardware requirements during inference through classical deployment of compressed parameters. Simulations incorporating realistic photonic noise demonstrate the framework's robustness to near-term hardware imperfections. Ablation studies confirm quantum necessity: replacing photonic QNNs with random inputs collapses accuracy to chance level ($10.0\% \pm 0.5\%$). Photonic quantum computing's room-temperature operation, inherent scalability through spatial-mode multiplexing, and HPC-integrated architecture establish a practical pathway for distributed quantum machine learning, combining the expressivity of photonic Hilbert spaces with the deployability of classical neural networks.
Longitudinal biomedical studies play a vital role in tracking disease progression, treatment response, and the emergence of resistance mechanisms, particularly in complex disorders such as cancer and neurodegenerative diseases. However, the high dimensionality of biological data, combined with the limited size of longitudinal cohorts, presents significant challenges for traditional machine learning approaches. In this work, we explore the potential of quantum machine learning (QML) for longitudinal biomarker discovery. We propose a novel modification to the instantaneous quantum polynomial time (IQP) feature map, designed to encode temporal dependencies across multiple time points in biomedical datasets. Through numerical simulations on both synthetic and real-world datasets - including studies on follicular lymphoma and Alzheimer's disease - we demonstrate that our longitudinal IQP feature map improves the ability of quantum kernels to capture intra-subject temporal patterns, offering a promising direction for QML in clinical research.
Quantum machine learning for spin and molecular systems faces critical challenges of scarce labeled data and computationally expensive simulations. To address these limitations, we introduce Hamiltonian-Masked Autoencoding (HMAE), a novel self-supervised framework that pre-trains transformers on unlabeled quantum Hamiltonians, enabling efficient few-shot transfer learning. Unlike random masking approaches, HMAE employs a physics-informed strategy based on quantum information theory to selectively mask Hamiltonian terms based on their physical significance. Experiments on 12,500 quantum Hamiltonians (60% real-world, 40% synthetic) demonstrate that HMAE achieves 85.3% $\pm$ 1.5% accuracy in phase classification and 0.15 $\pm$ 0.02 eV MAE in ground state energy prediction with merely 10 labeled examples - a statistically significant improvement (p < 0.01) over classical graph neural networks (78.1% $\pm$ 2.1%) and quantum neural networks (76.8% $\pm$ 2.3%). Our method's primary advantage is exceptional sample efficiency - reducing required labeled examples by 3-5x compared to baseline methods - though we emphasize that ground truth values for fine-tuning and evaluation still require exact diagonalization or tensor networks. We explicitly acknowledge that our current approach is limited to small quantum systems (specifically limited to 12 qubits during training, with limited extension to 16-20 qubits in testing) and that, while promising within this regime, this size restriction prevents immediate application to larger systems of practical interest in materials science and quantum chemistry.
We present a novel hybrid quantum-classical neural network architecture for fraud detection that integrates a classical Long Short-Term Memory (LSTM) network with a variational quantum circuit. By leveraging quantum phenomena such as superposition and entanglement, our model enhances the feature representation of sequential transaction data, capturing complex non-linear patterns that are challenging for purely classical models. A comprehensive data preprocessing pipeline is employed to clean, encode, balance, and normalize a credit card fraud dataset, ensuring a fair comparison with baseline models. Notably, our hybrid approach achieves per-epoch training times in the range of 45-65 seconds, which is significantly faster than similar architectures reported in the literature, where training typically requires several minutes per epoch. Both classical and quantum gradients are jointly optimized via a unified backpropagation procedure employing the parameter-shift rule for the quantum parameters. Experimental evaluations demonstrate competitive improvements in accuracy, precision, recall, and F1 score relative to a conventional LSTM baseline. These results underscore the promise of hybrid quantum-classical techniques in advancing the efficiency and performance of fraud detection systems. Keywords: Hybrid Quantum-Classical Neural Networks, Quantum Computing, Fraud Detection, Hybrid Quantum LSTM, Variational Quantum Circuit, Parameter-Shift Rule, Financial Risk Analysis
Recent advancements in quantum computing (QC) and machine learning (ML) have fueled significant research efforts aimed at integrating these two transformative technologies. Quantum machine learning (QML), an emerging interdisciplinary field, leverages quantum principles to enhance the performance of ML algorithms. Concurrently, the exploration of systematic and automated approaches for designing high-performance quantum circuit architectures for QML tasks has gained prominence, as these methods empower researchers outside the quantum computing domain to effectively utilize quantum-enhanced tools. This tutorial will provide an in-depth overview of recent breakthroughs in both areas, highlighting their potential to expand the application landscape of QML across diverse fields.
Anomaly Detection (AD) defines the task of identifying observations or events that deviate from typical - or normal - patterns, a critical capability in IT security for recognizing incidents such as system misconfigurations, malware infections, or cyberattacks. In enterprise environments like SAP HANA Cloud systems, this task often involves monitoring high-dimensional, multivariate time series (MTS) derived from telemetry and log data. With the advent of quantum machine learning offering efficient calculations in high-dimensional latent spaces, many avenues open for dealing with such complex data. One approach is the Quantum Autoencoder (QAE), an emerging and promising method with potential for application in both data compression and AD. However, prior applications of QAEs to time series AD have been restricted to univariate data, limiting their relevance for real-world enterprise systems. In this work, we introduce a novel QAE-based framework designed specifically for MTS AD towards enterprise scale. We theoretically develop and experimentally validate the architecture, demonstrating that our QAE achieves performance competitive with neural-network-based autoencoders while requiring fewer trainable parameters. We evaluate our model on datasets that closely reflect SAP system telemetry and show that the proposed QAE is a viable and efficient alternative for semisupervised AD in real-world enterprise settings.
Conventional Variational Quantum Circuits (VQCs) for Quantum Machine Learning typically rely on a fixed Hermitian observable, often built from Pauli operators. Inspired by the Heisenberg picture, we propose an adaptive non-local measurement framework that substantially increases the model complexity of the quantum circuits. Our introduction of dynamical Hermitian observables with evolving parameters shows that optimizing VQC rotations corresponds to tracing a trajectory in the observable space. This viewpoint reveals that standard VQCs are merely a special case of the Heisenberg representation. Furthermore, we show that properly incorporating variational rotations with non-local observables enhances qubit interaction and information mixture, admitting flexible circuit designs. Two non-local measurement schemes are introduced, and numerical simulations on classification tasks confirm that our approach outperforms conventional VQCs, yielding a more powerful and resource-efficient approach as a Quantum Neural Network.
Accurate prediction and stabilization of blast furnace temperatures are crucial for optimizing the efficiency and productivity of steel production. Traditional methods often struggle with the complex and non-linear nature of the temperature fluctuations within blast furnaces. This paper proposes a novel approach that combines hybrid quantum machine learning with pulverized coal injection control to address these challenges. By integrating classical machine learning techniques with quantum computing algorithms, we aim to enhance predictive accuracy and achieve more stable temperature control. For this we utilized a unique prediction-based optimization method. Our method leverages quantum-enhanced feature space exploration and the robustness of classical regression models to forecast temperature variations and optimize pulverized coal injection values. Our results demonstrate a significant improvement in prediction accuracy over 25 percent and our solution improved temperature stability to +-7.6 degrees of target range from the earlier variance of +-50 degrees, highlighting the potential of hybrid quantum machine learning models in industrial steel production applications.
Detecting mission-critical anomalous events and data is a crucial challenge across various industries, including finance, healthcare, and energy. Quantum computing has recently emerged as a powerful tool for tackling several machine learning tasks, but training quantum machine learning models remains challenging, particularly due to the difficulty of gradient calculation. The challenge is even greater for anomaly detection, where unsupervised learning methods are essential to ensure practical applicability. To address these issues, we propose Quorum, the first quantum anomaly detection framework designed for unsupervised learning that operates without requiring any training.
Large language models (LLM) have achieved remarkable outcomes in addressing complex problems, including math, coding, and analyzing large amounts of scientific reports. Yet few works have explored the potential of LLM in quantum computing. The most challenging problem is how to leverage LLMs to automatically generate quantum circuits at a large scale. In this paper, we address such a challenge by fine-tuning LLMs and injecting the domain-specific knowledge of quantum computing. In particular, we investigate the mechanisms to generate training data sets and construct the end-to-end pipeline to fine-tune pre-trained LLMs that produce parameterized quantum circuits for optimization problems. We have prepared 14,000 quantum circuits covering a substantial part of the quantum optimization landscape: 12 optimization problem instances and their optimized QAOA, VQE, and adaptive VQE circuits. The fine-tuned LLMs can construct syntactically correct parametrized quantum circuits in the most recent OpenQASM 3.0. We have evaluated the quality of the parameters by comparing them to the optimized expectation values and distributions. Our evaluation shows that the fine-tuned LLM outperforms state-of-the-art models and that the parameters are better than random. The LLM-generated parametrized circuits and initial parameters can be used as a starting point for further optimization, \emph{e.g.,} templates in quantum machine learning and the benchmark for compilers and hardware.