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The field of drug discovery hinges on the accurate prediction of binding affinity between prospective drug molecules and target proteins, especially when such proteins directly influence disease progression. However, estimating binding…

One of the main challenges in drug discovery is to find molecules that bind specifically and strongly to their target protein while having minimal binding to other proteins. By predicting binding affinity, it is possible to identify the…

Quantum Physics · Physics 2023-01-19 L. Domingo , M. Djukic , C. Johnson , F. Borondo

Accurate amine property prediction is essential for optimizing CO2 capture efficiency in post-combustion processes. Quantum machine learning (QML) can enhance predictive modeling by leveraging superposition, entanglement, and interference…

Quantum Physics · Physics 2025-06-24 Hyein Cho , Jeonghoon Kim , Hocheol Lim

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

Breast cancer diagnosis through thermographic image analysis remains a critical challenge in medical AI, with classical deep learning approaches facing limitations in complex thermal pattern classification tasks. This paper presents a novel…

Deep neural networks remain highly vulnerable to adversarial perturbations, limiting their reliability in security- and safety-critical applications. To address this challenge, we introduce QShield, a modular hybrid quantum-classical neural…

Cryptography and Security · Computer Science 2026-04-14 Navid Azimi , Aditya Prakash , Yao Wang , Li Xiong

Quantum Machine Learning (QML) offers a new paradigm for addressing complex financial problems intractable for classical methods. This work specifically tackles the challenge of few-shot credit risk assessment, a critical issue in inclusive…

Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…

Quantum Physics · Physics 2022-02-07 Mahabubul Alam , Swaroop Ghosh

In molecular research, the modelling and analysis of molecules through simulation is an important part that has a direct influence on medical development, material science and drug discovery. The processing power required to design protein…

Quantum Physics · Physics 2026-03-24 Prateek Jain , Param Pathak , Krishna Bhatia , Shalini Devendrababu , Srinjoy Ganguly

Hybrid Quantum-Classical Machine Learning (ML) is an emerging field, amalgamating the strengths of both classical neural networks and quantum variational circuits on the current noisy intermediate-scale quantum devices. This paper performs…

Hybrid Quantum Neural Networks (HQNNs) have gained attention for their potential to enhance computational performance by incorporating quantum layers into classical neural network (NN) architectures. However, a key question remains: Do…

Quantum Physics · Physics 2025-02-24 Muhammad Kashif , Alberto Marchisio , Muhammad Shafique

Accurate classification of microscopic blood cells is still a critical task in medical image analysis, where subtle variations and limited data can challenge conventional deep learning models. As such, we investigate in this work the…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Guilherme Cruz , Nouhaila Innan , Alberto Marchisio , Gabriel Falcao , Muhammad Shafique

The integration of algorithms from quantum information with neural networks has enabled unprecedented advancements in various domains. Nonetheless, the application of quantum machine learning algorithms for image classification…

Quantum Physics · Physics 2025-05-28 Ao Liu , Cuihong Wen , Jieci Wang

Quantum-classical Hybrid Machine Learning (QHML) models are recognized for their robust performance and high generalization ability even for relatively small datasets. These qualities offer unique advantages for anti-cancer drug response…

Machine Learning · Computer Science 2025-05-16 Takafumi Ito , Lysenko Artem , Tatsuhiko Tsunoda

To accelerate the process of materials design, materials science has increasingly used data driven techniques to extract information from collected data. Specially, machine learning (ML) algorithms, which span the ML discipline, have…

Hybrid quantum-classical machine learning offers a path to leverage noisy intermediate-scale quantum (NISQ) devices for drug discovery, but optimal model architectures remain unclear. We systematically optimize the quantum-classical bridge…

Machine Learning · Computer Science 2025-07-28 Andrew Smith , Erhan Guven

Quantum machine learning has emerged as a promising approach for medical image analysis, particularly in settings where compact models and expressive feature representations are desired. This paper presents a hybrid classical--quantum…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Shabnam Sodagari , Tommy Long

Recovery rate prediction plays a pivotal role in bond investment strategies by enhancing risk assessment, optimizing portfolio allocation, improving pricing accuracy, and supporting effective credit risk management. However, accurate…

Computational Finance · Quantitative Finance 2026-01-27 Ying Chen , Paul Griffin , Paolo Recchia , Lei Zhou , Hongrui Zhang

Deep learning has been shown to be able to recognize data patterns better than humans in specific circumstances or contexts. In parallel, quantum computing has demonstrated to be able to output complex wave functions with a few number of…

Quantum Physics · Physics 2021-08-05 Junhua Liu , Kwan Hui Lim , Kristin L. Wood , Wei Huang , Chu Guo , He-Liang Huang

Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal post. A promising avenue of inquiry in the meanwhile is to…

Quantum Physics · Physics 2025-08-07 Soohaeng Yoo Willow , D. ChangMo Yang , Chang Woo Myung
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