Related papers: QCA-MolGAN: Quantum Circuit Associative Molecular …

In molecular research, the modelling and analysis of molecules through simulation is an important part that has a direct influence on medical development, material science and drug discovery. The processing power required to design protein…

De novo drug design with desired biological activities is crucial for developing novel therapeutics for patients. The drug development process is time and resource-consuming, and it has a low probability of success. Recent advances in…

Generating molecules with desired chemical properties presents a critical challenge in fields such as chemical synthesis and drug discovery. Recent advancements in artificial intelligence (AI) and deep learning have significantly…

Generative adversarial networks are an emerging technique with wide applications in machine learning, which have achieved dramatic success in a number of challenging tasks including image and video generation. When equipped with quantum…

Quantum machine learning (QML) is a cross-disciplinary subject made up of two of the most exciting research areas: quantum computing and classical machine learning (ML), with ML and artificial intelligence (AI) being projected as the first…

Existing drug discovery pipelines take 5-10 years and cost billions of dollars. Computational approaches aim to sample from regions of the whole molecular and solid-state compounds called chemical space which could be on the order of 1060 .…

Deep generative models, such as generative adversarial networks (GANs), have been employed for $de~novo$ molecular generation in drug discovery. Most prior studies have utilized reinforcement learning (RL) algorithms, particularly Monte…

Generative adversarial networks (GANs) are one of the most widely adopted semisupervised and unsupervised machine learning methods for high-definition image, video, and audio generation. In this work, we propose a new type of architecture…

Hybrid quantum-classical machine learning offers a path to leverage noisy intermediate-scale quantum (NISQ) devices for drug discovery, but optimal model architectures remain unclear. We systematically optimize the quantum-classical bridge…

The quantum circuit Born machine (QCBM) is a quantum physics inspired implicit generative model naturally suitable for learning binary images, with a potential advantage of modeling discrete distributions that are hard to simulate…

Quantum Generative Adversarial Networks (QGANs) have emerged as a promising direction in quantum machine learning, combining the strengths of quantum computing and adversarial training to enable efficient and expressive generative modeling.…

The intensive computation and memory requirements of generative adversarial neural networks (GANs) hinder its real-world deployment on edge devices such as smartphones. Despite the success in model reduction of CNNs, neural network…

The computation of dynamical correlators of quantum many-body systems represents an open critical challenge in condensed matter physics. While powerful methodologies have risen in recent years, covering the full parameter space remains…

With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…

Quantum computers are gaining attention for their ability to solve certain problems faster than classical computers, and one example is the quantum expectation estimation algorithm that accelerates the widely-used Monte Carlo method in…

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

A framework to learn a multi-modal distribution is proposed, denoted as the Conditional Quantum Generative Adversarial Network (C-qGAN). The neural network structure is strictly within a quantum circuit and, as a consequence, is shown to…

As an emerging field that aims to bridge the gap between human activities and computing systems, human-centered computing (HCC) in cloud, edge, fog has had a huge impact on the artificial intelligence algorithms. The quantum generative…

Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome…

In this pioneering research paper, we present a groundbreaking exploration into the synergistic fusion of classical and quantum computing paradigms within the realm of Generative Adversarial Networks (GANs). Our objective is to seamlessly…