English
Related papers

Related papers: Quantum Machine Learning for Predicting Binding Fr…

200 papers

Machine learning and quantum computing are two technologies that are causing a paradigm shift in the performance and behavior of certain algorithms, achieving previously unattainable results. Machine learning (kernel classification) has…

Quantum Physics · Physics 2020-04-28 Siddharth Sharma

Quantum machine learning (QML) is a rapidly growing field that combines quantum computing principles with traditional machine learning. It seeks to revolutionize machine learning by harnessing the unique capabilities of quantum mechanics…

Quantum Physics · Physics 2024-11-15 Jun Qi , Chao-Han Yang , Samuel Yen-Chi Chen , Pin-Yu Chen

A key step in interpreting gas-phase ion mobility coupled with mass spectrometry (IM-MS) data for unknown structure prediction involves identifying the most favorable protonated structure. In the gas phase, the site of protonation is…

Machine Learning · Computer Science 2024-11-28 Hongni Jin , Kenneth M. Merz

Precision measurements of molecules offer an unparalleled paradigm to probe physics beyond the Standard Model. The rich internal structure within these molecules makes them exquisite sensors for detecting fundamental symmetry violations,…

Quantum Physics · Physics 2026-04-09 Anastasia Pipi , Xuecheng Tao , Arianna Wu , Prineha Narang , David R. Leibrandt

Quantum technologies are rapidly advancing as image classification tasks grow more complex due to large image volumes and extensive parameter updates required by traditional machine learning models. Quantum Machine Learning (QML) offers a…

Quantum Physics · Physics 2025-04-29 Md Farhan Shahriyar , Gazi Tanbhir

We present a framework that utilizes quantum algorithms, an architecture aware quantum noise model and an ideal simulator to benchmark quantum computers. The benchmark metrics highlight the difference between the quantum computer evolution…

Quantum Physics · Physics 2021-12-20 Konstantinos Georgopoulos , Clive Emary , Paolo Zuliani

Machine learning is widely believed to be one of the most promising practical applications of quantum computing. Existing quantum machine learning schemes typically employ a quantum-classical hybrid approach that relies crucially on…

Quantum Physics · Physics 2025-02-11 Qi Ye , Shuangyue Geng , Zizhao Han , Weikang Li , L. -M. Duan , Dong-Ling Deng

Artificial intelligence and machine learning paves the way to achieve greater technical feats. In this endeavor to hone these techniques, quantum machine learning is budding to serve as an important tool. Using the techniques of deep…

We conduct an extensive study on using near-term quantum computers for a task in the domain of computational biology. By constructing quantum models based on parameterised quantum circuits we perform sequence classification on a task…

Quantum machine learning has the potential for a transformative impact across industry sectors and in particular in finance. In our work we look at the problem of hedging where deep reinforcement learning offers a powerful framework for…

Quantum machine learning (QML) requires significant quantum resources to address practical real-world problems. When the underlying quantum information exhibits hierarchical structures in the data, limitations persist in training complexity…

Quantum Physics · Physics 2026-03-24 Quoc Hoan Tran , Yasuhiro Endo , Hirotaka Oshima

Quantum information technologies provide promising applications in communication and computation, while machine learning has become a powerful technique for extracting meaningful structures in 'big data'. A crossover between quantum…

Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

Quantum operations on pure states can be fully represented by unitary matrices. Variational quantum circuits, also known as quantum neural networks, embed data and trainable parameters into gate-based operations and optimize the parameters…

Quantum Physics · Physics 2026-04-09 Basil Kyriacou , Mo Kordzanganeh , Maniraman Periyasamy , Alexey Melnikov

Image processing is one of the most promising applications for quantum machine learning (QML). Quanvolutional Neural Networks with non-trainable parameters are the preferred solution to run on current and near future quantum devices. The…

Quantum Physics · Physics 2024-10-10 Daniele Lizzio Bosco , Beatrice Portelli , Giuseppe Serra

Understanding the properties of excited states of complex molecules is crucial for many chemical and physical processes. Calculating these properties is often significantly more resource-intensive than calculating their ground state…

Quantum Physics · Physics 2025-05-08 Manuel Hagelüken , Marco F. Huber , Marco Roth

Quantum machine learning is receiving significant attention currently, but its usefulness in comparison to classical machine learning techniques for practical applications remains unclear. However, there are indications that certain quantum…

Quantum computers can be considered as a natural means for performing machine learning tasks for inherently quantum labeled data. Many quantum machine learning techniques have been developed for solving classification problems, such as…

Quantum Physics · Physics 2025-01-24 Andrey Kardashin , Yerassyl Balkybek , Vladimir V. Palyulin , Konstantin Antipin

Quantum machine learning, as an extension of classical machine learning that harnesses quantum mechanics, facilitates effiient learning from data encoded in quantum states. Training a quantum neural network typically demands a substantial…

Quantum Physics · Physics 2026-02-17 Yongcheng Ding , Yue Ban , Mikel Sanz , José D. Martín-Guerrero , Xi Chen

Several proposals have been recently introduced to implement Quantum Machine Learning (QML) algorithms for the analysis of classical data sets employing variational learning means. There has been, however, a limited amount of work on the…

Quantum Physics · Physics 2022-10-04 Francesco Scala , Stefano Mangini , Chiara Macchiavello , Daniele Bajoni , Dario Gerace