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Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…
Quantum Machine Learning (QML) models of molecular HOMO-LUMO-gaps often struggle to achieve satisfying data-efficiency as measured by decreasing prediction errors for increasing training set sizes. Partitioning training sets of organic…
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…
The rapid progress in quantum computing (QC) and machine learning (ML) has attracted growing attention, prompting extensive research into quantum machine learning (QML) algorithms to solve diverse and complex problems. Designing…
Within the past few years, we have witnessed the rising of quantum machine learning (QML) models which infer electronic properties of molecules and materials, rather than solving approximations to the electronic Schrodinger equation. The…
Quantum Machine Learning (QML) shows how it maintains certain significant advantages over machine learning methods. It now shows that hybrid quantum methods have great scope for deployment and optimisation, and hold promise for future…
Quantum machine learning (QML) networks promise to have some computational (or quantum) advantage for classifying supervised datasets (e.g., satellite images) over some conventional deep learning (DL) techniques due to their expressive…
The identification and use of structure property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of chemical compound space (CCS), imposing substantial compute…
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…
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…
Machine learning (ML) is a promising approach for performing challenging quantum-information tasks such as device characterization, calibration and control. ML models can train directly on the data produced by a quantum device while…
Data scarcity remains a central challenge in materials discovery, where finding meaningful descriptors and tuning models for generalization is critical but inherently a discrete optimization problem prone to multiple local minima…
Materials discovery is a computationally intensive process that requires exploring vast chemical spaces to identify promising candidates with desirable properties. In this work, we propose using quantum-enhanced machine learning algorithms…
Quantum machine learning (QML) is a discipline that seeks to transfer the advantages of quantum computing to data-driven tasks. However, many studies rely on toy datasets or heavy feature reduction, raising concerns about their scalability.…
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 Machine Learning (QML) continues to evolve, unlocking new opportunities for diverse applications. In this study, we investigate and evaluate the applicability of QML models for binary classification of genome sequence data by…
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…
The rapid advancement of quantum computing (QC) and machine learning (ML) has given rise to the burgeoning field of quantum machine learning (QML), aiming to capitalize on the strengths of quantum computing to propel ML forward. Despite its…
Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…
Quantum Machine Learning (QML) is an accelerating field of study that leverages the principles of quantum computing to enhance and innovate within machine learning methodologies. However, Noisy Intermediate-Scale Quantum (NISQ) computers…