English
Related papers

Related papers: Adapting Quantum Machine Learning for Energy Disso…

200 papers

Training with huge datasets and a large number of participating devices leads to bottlenecks in federated learning (FL). Furthermore, the challenges of heterogeneity between multiple FL clients affect the overall performance of the system.…

Machine Learning · Computer Science 2025-06-06 Dev Gurung , Shiva Raj Pokhrel

Client heterogeneity poses significant challenges to the performance of Quantum Federated Learning (QFL). To overcome these limitations, we propose a new approach leveraging deep unfolding, which enables clients to autonomously optimize…

Machine Learning · Computer Science 2025-06-26 Shanika Iroshi Nanayakkara , Shiva Raj Pokhrel

The heart of Quantum Federated Learning (QFL) is associated with a distributed learning architecture across several local quantum devices and a more efficient training algorithm for the QFL is expected to minimize the communication overhead…

Quantum Physics · Physics 2022-09-02 Jun Qi

Understanding strongly correlated systems is essential for advancing quantum chemistry and materials science, yet conventional methods like Density Functional Theory (DFT) often fail to capture their complex electronic behavior. To address…

Chemical Physics · Physics 2025-09-01 Archith Rayabharam , N. R. Aluru

Quantum federated learning (QFL) is a quantum extension of the classical federated learning model across multiple local quantum devices. An efficient optimization algorithm is always expected to minimize the communication overhead among…

Quantum Physics · Physics 2023-03-15 Jun Qi , Xiao-Lei Zhang , Javier Tejedor

In this paper, we address the challenge of multivariate time-series forecasting using quantum machine learning techniques. We introduce adaptation strategies that extend variational quantum circuit models, traditionally limited to…

Weather forecasting plays a crucial role in supporting strategic decisions across various sectors, including agriculture, renewable energy production, and disaster management. However, the inherently dynamic and chaotic behavior of the…

Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, directly from compositions and geometries of atomic…

Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…

Chemical Physics · Physics 2020-11-17 Masashi Tsubaki , Teruyasu Mizoguchi

Quantum Machine Learning (QML) has recently emerged as a highly promising research frontier. Within this domain, Quantum Neural Networks (QNNs),characterized by Variational Quantum Circuits (VQCs) at their core and featuring layers of…

Quantum Physics · Physics 2026-04-30 Ban Q. Tran , Duong M. Chu , Hai T. D. Pham , Viet Q. Nguyen , Quan A. Pham , Susan Mengel

The rapid expansion of biomolecular datasets presents significant challenges for computational biology. Quantum computing emerges as a promising solution to address these complexities. This study introduces a novel quantum framework for…

Chemical Physics · Physics 2025-07-02 Don Roosan , Rubayat Khan , Saif Nirzhor , Tiffany Khou , Fahmida Hai

Quantum chemistry is one of the most promising near-term applications of quantum computers. Quantum algorithms such as variational quantum eigen solver (VQE) and variational quantum deflation (VQD) algorithms have been mainly applied for…

Materials Science · Physics 2021-07-12 Kamal Choudhary

In structure-based virtual screening, it is often necessary to evaluate the binding free energy of protein-ligand complexes by considering not only molecular conformations but also how these structures shift and rotate in space. The number…

Quantum Physics · Physics 2025-07-25 Pei-Kun Yang

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Recently, interest in quantum computing has significantly increased, driven by its potential advantages over classical techniques. Quantum machine learning (QML) exemplifies one of the important quantum computing applications that are…

The development of quantum computers has been the stimulus that enables the realization of Quantum Machine Learning (QML), an area that integrates the calculational framework of quantum mechanics with the adaptive properties of classical…

Computational Engineering, Finance, and Science · Computer Science 2025-09-04 Bhavna Bose , Saurav Verma

Accurate prediction of future loan defaults is a critical capability for financial institutions that provide lines of credit. For institutions that issue and manage extensive loan volumes, even a slight improvement in default prediction…

We propose a quantum machine learning framework for approximating solutions to high-dimensional parabolic partial differential equations (PDEs) that can be reformulated as backward stochastic differential equations (BSDEs). In contrast to…

Mathematical Finance · Quantitative Finance 2025-09-04 Howard Su , Huan-Hsin Tseng

Recovery rate prediction plays a pivotal role in bond investment strategies by enhancing risk assessment, optimizing portfolio allocation, improving pricing accuracy, and supporting effective credit risk management. However, accurate…

Computational Finance · Quantitative Finance 2026-01-27 Ying Chen , Paul Griffin , Paolo Recchia , Lei Zhou , Hongrui Zhang

Machine learning models are increasingly used to predict material properties and accelerate atomistic simulations, but the reliability of their predictions depends on the representativeness of the training data. We present a scalable,…

Chemical Physics · Physics 2025-10-20 Daniel Willimetz , Lukáš Grajciar