相关论文: Hybrid quantum-classical machine learning for gene…

Computational Grids are emerging as a popular paradigm for solving large-scale compute and data intensive problems in science, engineering, and commerce. However, application composition, resource management and scheduling in these…

The development of novel pharmaceuticals represents a significant challenge in modern science, with substantial costs and time investments. Deep generative models have emerged as promising tools for accelerating drug discovery by…

Quantum machine learning (QML) has received increasing attention due to its potential to outperform classical machine learning methods in problems pertaining classification and identification tasks. A subclass of QML methods is quantum…

Machine learning has been presented as one of the key applications for near-term quantum technologies, given its high commercial value and wide range of applicability. In this work, we introduce the \textit{quantum-assisted Helmholtz…

The goal of this paper is to deal with a data scarcity scenario where deep learning techniques use to fail. We compare the use of two well established techniques, Restricted Boltzmann Machines and Variational Auto-encoders, as generative…

In recent years, deep generative models for graphs have been used to generate new molecules. These models have produced good results, leading to several proposals in the literature. However, these models may have troubles learning some of…

Quantum machine learning (QML) investigates how quantum phenomena can be exploited in order to learn data in an alternative way, \textit{e.g.} by means of a quantum computer. While recent results evidence that QML models can potentially…

This paper presents the first application of quantum generative models to learned latent space representations of computational fluid dynamics (CFD) data. While recent work has explored quantum models for learning statistical properties of…

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…

Learning on small data is a challenge frequently encountered in many real-world applications. In this work we study how effective quantum ensemble models are when trained on small data problems in healthcare and life sciences. We…

Predicting drop coalescence based on process parameters is crucial for experiment design in chemical engineering. However, predictive models can suffer from the lack of training data and more importantly, the label imbalance problem. In…

Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…

Given a quantum circuit, a quantum computer can sample the output distribution exponentially faster in the number of bits than classical computers. A similar exponential separation has yet to be established in generative models through…

Recent improvements in control of quantum systems make it seem feasible to finally build a quantum computer within a decade. While it has been shown that such a quantum computer can in principle solve certain small electronic structure…

Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds…

Quantum computing is entering a transformative phase with the emergence of logical quantum processors, which hold the potential to tackle complex problems beyond classical capabilities. While significant progress has been made, applying…

Quantum machine learning has recently attracted much attention from the community of quantum computing. In this paper, we explore the ability of generative adversarial networks (GANs) based on quantum computing. More specifically, we…

Automatic molecule generation plays an important role on drug discovery and has received a great deal of attention in recent years thanks to deep learning successful use. Graph-based neural network represents state of the art methods on…

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Quantum neural networks are deemed suitable to replace classical neural networks in their ability to learn and scale up network models using quantum-exclusive phenomena like superposition and entanglement. However, in the noisy intermediate…