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Traditional drug discovery pipeline takes several years and cost billions of dollars. Deep generative and predictive models are widely adopted to assist in drug development. Classical machines cannot efficiently produce atypical patterns of…

Emerging Technologies · Computer Science 2021-04-05 Junde Li , Mahabubul Alam , Congzhou M Sha , Jian Wang , Nikolay V. Dokholyan , Swaroop Ghosh

Supervised learning models, also known as quantitative structure-activity regression (QSAR) models, are increasingly used in assisting the process of preclinical, small molecule drug discovery. The models are trained on data consisting of a…

Applications · Statistics 2020-01-08 Oliver P Watson , Isidro Cortes-Ciriano , James A Watson

Self-Attention Mechanism (SAM) excels at distilling important information from the interior of data to improve the computational efficiency of models. Nevertheless, many Quantum Machine Learning (QML) models lack the ability to distinguish…

Quantum Physics · Physics 2023-10-13 Ren-Xin Zhao , Jinjing Shi , Xuelong Li

The advent of quantum computing has opened new possibilities in data science, offering unique capabilities for addressing complex, data-intensive problems. Traditional machine learning algorithms often face challenges in high-dimensional or…

Quantum Physics · Physics 2025-02-13 Sanjeev Naguleswaran

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

Quantum Machine Learning (QML) hasn't yet demonstrated extensively and clearly its advantages compared to the classical machine learning approach. So far, there are only specific cases where some quantum-inspired techniques have achieved…

Quantum Physics · Physics 2022-11-30 Javier Mancilla , Christophe Pere

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores the potential of quantum neural networks on gate-based…

With fault-tolerant quantum computing on the horizon, there is growing interest in applying quantum computational methods to data-intensive scientific fields like remote sensing. Quantum machine learning (QML) has already demonstrated…

Quantum Physics · Physics 2026-02-24 Tomasz Rybotycki , Sebastian Dziura , Piotr Gawron

The emergence of Quantum Machine Learning (QML) to enhance traditional classical learning methods has seen various limitations to its realisation. There is therefore an imperative to develop quantum models with unique model hypotheses to…

Quantum Physics · Physics 2023-02-21 Maiyuren Srikumar , Charles D. Hill , Lloyd C. L. Hollenberg

Classical machine learning (CML) has been extensively studied for malware classification. With the emergence of quantum computing, quantum machine learning (QML) presents a paradigm-shifting opportunity to improve malware detection, though…

Machine Learning · Computer Science 2025-08-28 Jesus Lopez , Saeefa Rubaiyet Nowmi , Viviana Cadena , Mohammad Saidur Rahman

Quantum kernels hold great promise for offering computational advantages over classical learners, with the effectiveness of these kernels closely tied to the design of the quantum feature map. However, the challenge of designing effective…

Quantum Physics · Physics 2024-01-23 Cong Lei , Yuxuan Du , Peng Mi , Jun Yu , Tongliang Liu

Quantum Machine Learning represents a paradigm shift at the intersection of Quantum Computing and Machine Learning, leveraging quantum phenomena such as superposition, entanglement, and quantum parallelism to address the limitations of…

Quantum Physics · Physics 2025-01-17 Sahil Tomar , Rajeshwar Tripathi , Sandeep Kumar

Quantum machine learning (QML) is one of the most promising applications of quantum computation. However, it is still unclear whether quantum advantages exist when the data is of a classical nature and the search for practical, real-world…

This study explores the application of quantum machine learning (QML) algorithms to enhance cybersecurity threat detection, particularly in the classification of malware and intrusion detection within high-dimensional datasets. Classical…

Cryptography and Security · Computer Science 2025-09-09 Tanya Joshi , Krishnendu Guha

This study addresses the urgent need for improved prostate cancer detection methods by harnessing the power of advanced technological solutions. We introduce the application of Quantum Support Vector Machine (QSVM) to this critical…

Machine Learning · Computer Science 2024-03-13 Walid El Maouaki , Taoufik Said , Mohamed Bennai

Quantum machine learning (QML) has attracted considerable research interest, yet whether it offers practical benefits over classical approaches remains an open question. The choice of data encoding significantly influences QML performance,…

Quantum Physics · Physics 2026-05-19 Lena Tokuhiro , Amine Bentellis , Jeanette Miriam Lorenz

Structure-based virtual screening (SBVS) is a key computational strategy for identifying potential drug candidates by estimating the binding free energies (delta G_bind) of protein-ligand complexes. The immense size of chemical libraries,…

Quantum Physics · Physics 2025-07-15 Pei-Kun Yang

We propose a quantum feature mapping technique that leverages the quench dynamics of a quantum spin glass to extract complex data patterns at the quantum-advantage level for academic and industrial applications. We demonstrate that encoding…

We propose digital-analog quantum kernels for enhancing the detection of complex features in the classification of images. We consider multipartite-entangled analog blocks, stemming from native Ising interactions in neutral-atom quantum…

Benchmarking of quantum machine learning (QML) algorithms is challenging due to the complexity and variability of QML systems, e.g., regarding model ansatzes, data sets, training techniques, and hyper-parameters selection. The QUantum…