Protein-ligand binding affinity is critical in drug discovery, but experimentally determining it is time-consuming and expensive. Artificial intelligence (AI) has been used to predict binding affinity, significantly accelerating this process. However, the high-performance requirements and vast datasets involved in affinity prediction demand increasingly large AI models, requiring substantial computational resources and training time. Quantum machine learning has emerged as a promising solution to these challenges. In particular, hybrid quantum-classical models can reduce the number of parameters while maintaining or improving performance compared to classical counterparts. Despite these advantages, challenges persist: why hybrid quantum models achieve these benefits, whether quantum neural networks (QNNs) can replace classical neural networks, and whether such models are feasible on noisy intermediate-scale quantum (NISQ) devices. This study addresses these challenges by proposing a hybrid quantum neural network (HQNN) that empirically demonstrates the capability to approximate non-linear functions in the latent feature space derived from classical embedding. The primary goal of this study is to achieve a parameter-efficient model in binding affinity prediction while ensuring feasibility on NISQ devices. Numerical results indicate that HQNN achieves comparable or superior performance and parameter efficiency compared to classical neural networks, underscoring its potential as a viable replacement. This study highlights the potential of hybrid QML in computational drug discovery, offering insights into its applicability and advantages in addressing the computational challenges of protein-ligand binding affinity prediction.

We propose a circuit-level attack, SQUASH, a SWAP-Based Quantum Attack to sabotage Hybrid Quantum Neural Networks (HQNNs) for classification tasks. SQUASH is executed by inserting SWAP gate(s) into the variational quantum circuit of the victim HQNN. Unlike conventional noise-based or adversarial input attacks, SQUASH directly manipulates the circuit structure, leading to qubit misalignment and disrupting quantum state evolution. This attack is highly stealthy, as it does not require access to training data or introduce detectable perturbations in input states. Our results demonstrate that SQUASH significantly degrades classification performance, with untargeted SWAP attacks reducing accuracy by up to 74.08\% and targeted SWAP attacks reducing target class accuracy by up to 79.78\%. These findings reveal a critical vulnerability in HQNN implementations, underscoring the need for more resilient architectures against circuit-level adversarial interventions.

This paper proposes a hybrid quantum neural network (HQNN) for indoor user localization using received signal strength indicator (RSSI) values. We use publicly available RSSI datasets for indoor localization using WiFi, Bluetooth, and Zigbee to test the performance of the proposed HQNN. We also compare the performance of the HQNN with the recently proposed quantum fingerprinting-based user localization method. Our results show that the proposed HQNN performs better than the quantum fingerprinting algorithm since the HQNN has trainable parameters in the quantum circuits, whereas the quantum fingerprinting algorithm uses a fixed quantum circuit to calculate the similarity between the test data point and the fingerprint dataset. Unlike prior works, we also test the performance of the HQNN and quantum fingerprint algorithm on a real IBM quantum computer using cloud quantum computing services. Therefore, this paper examines the performance of the HQNN on noisy intermediate scale (NISQ) quantum devices using real-world RSSI localization datasets. The novelty of our approach lies in the use of simple feature maps and ansatz with fewer neurons, alongside testing on actual quantum hardware using real-world data, demonstrating practical applicability in real-world scenarios.

Predicting solar panel power output is crucial for advancing the energy transition but is complicated by the variable and non-linear nature of solar energy. This is influenced by numerous meteorological factors, geographical positioning, and photovoltaic cell properties, posing significant challenges to forecasting accuracy and grid stability. Our study introduces a suite of solutions centered around hybrid quantum neural networks designed to tackle these complexities. The first proposed model, the Hybrid Quantum Long Short-Term Memory, surpasses all tested models by over 40% lower mean absolute and mean squared errors. The second proposed model, Hybrid Quantum Sequence-to-Sequence neural network, once trained, predicts photovoltaic power with 16% lower mean absolute error for arbitrary time intervals without the need for prior meteorological data, highlighting its versatility. Moreover, our hybrid models perform better even when trained on limited datasets, underlining their potential utility in data-scarce scenarios. These findings represent a stride towards resolving time series prediction challenges in energy power forecasting through hybrid quantum models, showcasing the transformative potential of quantum machine learning in catalyzing the renewable energy transition.

Powerful hardware services and software libraries are vital tools for quickly and affordably designing, testing, and executing quantum algorithms. A robust large-scale study of how the performance of these platforms scales with the number of qubits is key to providing quantum solutions to challenging industry problems. This work benchmarks the runtime and accuracy for a representative sample of specialized high-performance simulated and physical quantum processing units. Results show the QMware simulator can reduce the runtime for executing a quantum circuit by up to 78% compared to the next fastest option for algorithms with fewer than 27 qubits. The AWS SV1 simulator offers a runtime advantage for larger circuits, up to the maximum 34 qubits available with SV1. Beyond this limit, QMware can execute circuits as large as 40 qubits. Physical quantum devices, such as Rigetti's Aspen-M2, can provide an exponential runtime advantage for circuits with more than 30 qubits. However, the high financial cost of physical quantum processing units presents a serious barrier to practical use. Moreover, only IonQ's Harmony quantum device achieves high fidelity with more than four qubits. This study paves the way to understanding the optimal combination of available software and hardware for executing practical quantum algorithms.

The rate of heart morbidity and heart mortality increases significantly, which affects global public health and the world economy. Early prediction of heart disease is crucial for reducing heart morbidity and mortality. This paper proposes two quantum machine-learning methods, i.e., a hybrid quantum neural network and a hybrid random forest quantum neural network for early detection of heart disease. The methods are applied to the Cleveland and Statlog datasets. The results show that hybrid quantum neural networks and hybrid random forest quantum neural networks are suitable for highdimensional and low-dimensional problems respectively. The hybrid quantum neural network is sensitive to outlier data while the hybrid random forest is robust to outlier data. A comparison between different machine learning methods shows that the proposed quantum methods are more appropriate for early heart disease prediction where 96.43% and 97.78% area under curve are obtained for Cleveland and Statlog datasets respectively.

Cancer is one of the leading causes of death worldwide. It is caused by a variety of genetic mutations, which makes every instance of the disease unique. Since chemotherapy can have extremely severe side effects, each patient requires a personalized treatment plan. Finding the dosages that maximize the beneficial effects of the drugs and minimize their adverse side effects is vital. Deep neural networks automate and improve drug selection. However, they require a lot of data to be trained on. Therefore, there is a need for machine-learning approaches that require less data. Hybrid quantum neural networks were shown to provide a potential advantage in problems where training data availability is limited. We propose a novel hybrid quantum neural network for drug response prediction, based on a combination of convolutional, graph convolutional, and deep quantum neural layers of 8 qubits with 363 layers. We test our model on the reduced Genomics of Drug Sensitivity in Cancer dataset and show that the hybrid quantum model outperforms its classical analog by 15% in predicting IC50 drug effectiveness values. The proposed hybrid quantum machine learning model is a step towards deep quantum data-efficient algorithms with thousands of quantum gates for solving problems in personalized medicine, where data collection is a challenge.