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Quantum machine learning (QML) has great potential for the analysis of chemical datasets. However, conventional quantum data-encoding schemes, such as fingerprint encoding, are generally unfeasible for the accurate representation of…

Quantum Physics · Physics 2025-11-18 Choy Boy , Edoardo Altamura , Dilhan Manawadu , Ivano Tavernelli , Stefano Mensa , David J. Wales

Quantum kernel methods, i.e., kernel methods with quantum kernels, offer distinct advantages as a hybrid quantum-classical approach to quantum machine learning (QML), including applicability to Noisy Intermediate-Scale Quantum (NISQ)…

Quantum Physics · Physics 2022-11-29 Daniel T. Chang

Efficiently encoding classical visual data into quantum states is essential for realizing practical quantum neural networks (QNNs). However, existing encoding schemes often discard spatial and semantic information when adapting…

Quantum Physics · Physics 2025-11-20 Yuhu Lu , Jinjing Shi

Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…

Strongly Correlated Electrons · Physics 2022-11-02 Max Nusspickel , George H. Booth

Knowledge graph embedding aims at offering a numerical knowledge representation paradigm by transforming the entities and relations into continuous vector space. However, existing methods could not characterize the knowledge graph in a fine…

Artificial Intelligence · Computer Science 2017-06-20 Han Xiao , Minlie Huang , Xiaoyan Zhu

The variational quantum eigensolver (VQE) is a leading strategy that exploits noisy intermediate-scale quantum (NISQ) machines to tackle chemical problems outperforming classical approaches. To gain such computational advantages on…

Quantum Physics · Physics 2022-09-27 Yang Qian , Yuxuan Du , Dacheng Tao

Quantum Machine Learning (QML) is considered one of the most promising applications of Quantum Computing in the Noisy Intermediate Scale Quantum (NISQ) era for the impact it is thought to have in the near future. Although promising…

Quantum Physics · Physics 2025-08-22 Valeria Repetto , Elia Giuseppe Ceroni , Giuseppe Buonaiuto , Romina D'Aurizio

This paper investigates the effectiveness of using the Random Projection Ensemble (RPE) approach in Quadratic Discriminant Analysis (QDA) for ultrahigh-dimensional classification problems. Classical methods such as Linear Discriminant…

Methodology · Statistics 2025-07-10 Annesha Deb , Minerva Mukhopadhyay , Subhajit Dutta

Machine learning models can solve complex tasks but often require significant computational resources during inference. This has led to the development of various post-training computation reduction methods that tackle this issue in…

Machine Learning · Computer Science 2024-06-21 Florence Regol , Joud Chataoui , Bertrand Charpentier , Mark Coates , Pablo Piantanida , Stephan Gunnemann

Quantile regression is an effective technique to quantify uncertainty, fit challenging underlying distributions, and often provide full probabilistic predictions through joint learnings over multiple quantile levels. A common drawback of…

Machine Learning · Computer Science 2022-02-24 Youngsuk Park , Danielle Maddix , François-Xavier Aubet , Kelvin Kan , Jan Gasthaus , Yuyang Wang

Quantum phase estimation (QPE) is the key subroutine of several quantum computing algorithms as well as a central ingredient in quantum computational chemistry and quantum simulation. While QPE strategies have focused on the estimation of a…

Quantum Physics · Physics 2021-07-26 Valentin Gebhart , Augusto Smerzi , Luca Pezzè

In recent years, the development of technologies for causal inference with privacy preservation of distributed data has gained considerable attention. Many existing methods for distributed data focus on resolving the lack of subjects…

Methodology · Statistics 2024-01-18 Yuji Kawamata , Ryoki Motai , Yukihiko Okada , Akira Imakura , Tetsuya Sakurai

This is a tutorial and survey paper for Locally Linear Embedding (LLE) and its variants. The idea of LLE is fitting the local structure of manifold in the embedding space. In this paper, we first cover LLE, kernel LLE, inverse LLE, and…

Machine Learning · Statistics 2020-11-24 Benyamin Ghojogh , Ali Ghodsi , Fakhri Karray , Mark Crowley

NISQ (Noisy Intermediate-Scale Quantum) era constraints, high sensitivity to noise and limited qubit count, impose significant barriers on the usability of QPUs (Quantum Process Units) capabilities. To overcome these challenges, researchers…

In recent years, hyperspectral imaging, also known as imaging spectroscopy, has been paid an increasing interest in geoscience and remote sensing community. Hyperspectral imagery is characterized by very rich spectral information, which…

Computer Vision and Pattern Recognition · Computer Science 2020-07-20 Danfeng Hong , Jing Yao , Xin Wu , Jocelyn Chanussot , Xiao Xiang Zhu

Categorical data plays an important part in machine learning research and appears in a variety of applications. Models that can express large classes of real-valued functions on the Boolean cube are useful for problems involving…

Quantum Physics · Physics 2023-04-25 Dylan Herman , Rudy Raymond , Muyuan Li , Nicolas Robles , Antonio Mezzacapo , Marco Pistoia

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

Effective molecular representations are essential for ligand-based virtual screening. We investigate how quantum data embedding strategies can improve this task by developing and evaluating a family of quantum-classical hybrid embedding…

Quantum Physics · Physics 2025-12-19 Junggu Choi , Tak Hur , Seokhoon Jeong , Kyle L. Jung , Jun Bae Park , Junho Lee , Jae U. Jung , Daniel K. Park

A variational autoencoder (VAE) derived from Tsallis statistics called q-VAE is proposed. In the proposed method, a standard VAE is employed to statistically extract latent space hidden in sampled data, and this latent space helps make…

Machine Learning · Computer Science 2021-08-27 Taisuke Kobayashi

Quantum kernel methods offer significant theoretical benefits by rendering classically inseparable features separable in quantum space. Yet, the practical application of Quantum Machine Learning (QML), currently constrained by the…

Machine Learning · Computer Science 2026-02-03 Philipp Altmann , Maximilian Mansky , Maximilian Zorn , Jonas Stein , Claudia Linnhoff-Popien
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