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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…

Quantum Physics · Physics 2023-08-15 A. I. Gircha , A. S. Boev , K. Avchaciov , P. O. Fedichev , A. K. Fedorov

Using a quantum processor to embed and process classical data enables the generation of correlations between variables that are inefficient to represent through classical computation. A fundamental question is whether these correlations…

Classical neural networks achieve only limited convergence in hard problems such as XOR or parity when the number of hidden neurons is small. With the motivation to improve the success rate of neural networks in these problems, we propose a…

Neural and Evolutionary Computing · Computer Science 2024-02-27 Kristína Malinovská , Slavomír Holenda , Ľudovít Malinovský

The performance of a neural network for a given task is largely determined by the initial calibration of the network parameters. Yet, it has been shown that the calibration, also referred to as training, is generally NP-complete. This…

Quantum Physics · Physics 2019-11-21 Yidong Liao , Daniel Ebler , Feiyang Liu , Oscar Dahlsten

Binding energy is a fundamental thermodynamic property that governs molecular interactions, playing a crucial role in fields such as healthcare and the natural sciences. It is particularly relevant in drug development, vaccine design, and…

Quantum Physics · Physics 2025-08-06 Erico Souza Teixeira , Lucas Barros Fernandes , Yara Rodrigues Inácio

We introduce a classical-quantum hybrid approach to computation, allowing for a quadratic performance improvement in the decision process of a learning agent. In particular, a quantum routine is described, which encodes on a quantum…

Quantum Physics · Physics 2023-03-22 A. Sannia , A. Giordano , N. Lo Gullo , C. Mastroianni , F. Plastina

In this work, quantum transformers are designed and analysed in detail by extending the state-of-the-art classical transformer neural network architectures known to be very performant in natural language processing and image analysis.…

The rapid increase in the volume of data increased the size and complexity of the deep learning models. These models are now more resource-intensive and time-consuming for training than ever. This paper presents a quantum transfer learning…

Quantum Physics · Physics 2024-09-04 Sounak Bhowmik , Himanshu Thapliyal

Quantum technologies are increasingly pervasive, underpinning the operation of numerous electronic, optical and medical devices. Today, we are also witnessing rapid advancements in quantum computing and communication. However, access to…

Machine Learning · Computer Science 2025-03-12 Milan Maksimovic , Ivan S. Maksymov

To witness quantum advantages in practical settings, substantial efforts are required not only at the hardware level but also on theoretical research to reduce the computational cost of a given protocol. Quantum computation has the…

Quantum Physics · Physics 2021-09-24 Daniel K. Park , Carsten Blank , Francesco Petruccione

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…

Running quantum algorithms often involves implementing complex quantum circuits with such a large number of multi-qubit gates that the challenge of tackling practical applications appears daunting. To date, no experiments have successfully…

We develop a quantum-classical hybrid algorithm for function optimization that is particularly useful in the training of neural networks since it makes use of particular aspects of high-dimensional energy landscapes. Due to a recent…

Quantum Physics · Physics 2017-10-20 Leonard Wossnig , Sebastian Tschiatschek , Stefan Zohren

Image classification, a pivotal task in multiple industries, faces computational challenges due to the burgeoning volume of visual data. This research addresses these challenges by introducing two quantum machine learning models that…

Quantum Physics · Physics 2024-03-29 Arsenii Senokosov , Alexandr Sedykh , Asel Sagingalieva , Basil Kyriacou , Alexey Melnikov

In this paper, we propose a new methodology to design quantum hybrid diffusion models, derived from classical U-Nets with ResNet and Attention layers. Specifically, we propose two possible different hybridization schemes combining quantum…

Our primary objective is to conduct a brief survey of various classical and quantum neural net sequence models, which includes self-attention and recurrent neural networks, with a focus on recent quantum approaches proposed to work with…

Quantum Physics · Physics 2024-02-23 I-Chi Chen , Harshdeep Singh , V L Anukruti , Brian Quanz , Kavitha Yogaraj

Dementia is a devastating condition with profound implications for individuals, families, and healthcare systems. Early and accurate detection of dementia is critical for timely intervention and improved patient outcomes. While classical…

Quantum Physics · Physics 2025-07-18 Sounak Bhowmik , Talita Perciano , Himanshu Thapliyal

Current technologies in quantum-based communications bring a new integration of quantum data with classical data for hybrid processing. However, the frameworks of these technologies are restricted to a single classical or quantum task,…

Quantum Physics · Physics 2022-09-02 Quoc Hoan Tran , Sanjib Ghosh , Kohei Nakajima

Quantum machine learning techniques have been proposed as a way to potentially enhance performance in machine learning applications. In this paper, we introduce two new quantum methods for neural networks. The first one is a quantum…

Accurately predicting turbulent flows remains a central challenge in fluid dynamics due to their high dimensionality and intrinsic nonlinearity. Recent developments in quantum algorithms and machine learning offer new opportunities for…

Fluid Dynamics · Physics 2025-11-25 Han Li , Yutong Lou , Dunhui Xiao