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Geometric quantum machine learning uses the symmetries inherent in data to design tailored machine learning tasks with reduced search space dimension. The field has been well-studied recently in an effort to avoid barren plateau issues…

Quantum Physics · Physics 2025-07-14 Zachary P. Bradshaw , Ethan N. Evans , Matthew Cook , Margarite L. LaBorde

Accurate prediction of bond dissociation energies (BDEs) underpins mechanistic insight and the rational design of molecules and materials. We present a systematic, reproducible benchmark comparing quantum and classical machine learning…

Quantum Physics · Physics 2025-10-09 Swathi Chandrasekhar , Shiva Raj Pokhrel , Navneet Singh

The circuit model of quantum computation is reformulated as a multilayer network theory [3] called a Quantum Multiverse Network (QuMvN). The QuMvN formulation allows us to interpret the quantum wave function as a combination of ergodic…

Quantum Physics · Physics 2019-09-24 Perry Sakkaris , Ryan Sudhakaran

Multimodal learning aims to enhance perceptual and decision-making capabilities by integrating information from diverse sources. However, classical deep learning approaches face a critical trade-off between the high accuracy of black-box…

Quantum Physics · Physics 2026-01-14 Yu Wu , Qianli Zhou , Jie Geng , Xinyang Deng , Wen Jiang

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

This article introduces a benchmark designed to evaluate the capabilities of multimodal models in analyzing and interpreting images. The benchmark focuses on seven key visual aspects: main object, additional objects, background, detail,…

Computer Vision and Pattern Recognition · Computer Science 2025-01-15 Evgenii Evstafev

Quantum coherence quantifies the amount of superposition a quantum state can have in a given basis. Since there is a difference in the structure of eigenstates of the ergodic and many-body localized systems, we expect them also to differ in…

Strongly Correlated Electrons · Physics 2020-07-29 Sayandip Dhara , Alioscia Hamma , Eduardo R. Mucciolo

Quantum plasmonics explores how light interacts with collective charge oscillations at metal-dielectric interfaces, enabling strong confinement and enhanced quantum effects at the nanoscale. While traditional quantum optics focuses on…

Quantum Physics · Physics 2025-04-03 Mingyuan Hong

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

Predicting the evolution of complex physical systems remains a central problem in science and engineering. Despite rapid progress in scientific Machine Learning (ML) models, a critical bottleneck is the lack of expensive real-world data,…

Accurately modeling quantum dissipative dynamics remains challenging due to environmental complexity and non-Markovian memory effects. Although machine learning provides a promising alternative to conventional simulation techniques, most…

Chemical Physics · Physics 2026-03-18 Muhammad Atif , Arif Ullah , Ming Yang

Quantum many-body systems pose a formidable computational challenge due to the exponential growth of their Hilbert space. While machine learning (ML) has shown promise as an alternative paradigm, most applications remain at the…

Disordered Systems and Neural Networks · Physics 2026-02-03 Yilun Gao , Alberto Rodríguez , Rudolf A. Römer

Quantum entanglement is a key resource in quantum computing and quantum information processing tasks. However, its quantification remains a major challenge since it cannot be directly extracted from physical observables. To address this…

Quantum Physics · Physics 2025-12-29 Shruti Aggarwal , Trasha Gupta , R. K. Agrawal , S. Indu

Although multimodal fusion has made significant progress, its advancement is severely hindered by the lack of adequate evaluation benchmarks. Current fusion methods are typically evaluated on a small selection of public datasets, a limited…

Machine Learning · Computer Science 2026-05-07 Leyan Xue , Changqing Zhang , Kecheng Xue , Xiaohong Liu , Guangyu Wang , Zongbo Han

Quantum kernel methods have been proposed as a promising approach for leveraging near-term quantum computers for supervised learning, yet rigorous benchmarks against strong classical baselines remain scarce. We present a comprehensive…

Quantum Physics · Physics 2026-04-22 Siavash Kakavand , Christoph Strohmeyer , Michael Schlotter

Deep learning has the potential to revolutionize quantum chemistry as it is ideally suited to learn representations for structured data and speed up the exploration of chemical space. While convolutional neural networks have proven to be…

The ability to understand and engineer molecular structures relies on having accurate descriptions of the energy as a function of atomic coordinates. Here we outline a new paradigm for deriving energy functions of hyperdimensional molecular…

We refine the OrbNet model to accurately predict energy, forces, and other response properties for molecules using a graph neural-network architecture based on features from low-cost approximated quantum operators in the symmetry-adapted…

Technologies for manipulating single atoms have advanced drastically in the past decades. Due to their excellent controllability of internal states, atoms serve as one of the ideal platforms as quantum systems. One major research direction…

Atomic Physics · Physics 2026-01-01 Akio Kawasaki

As they carry great potential for modeling complex interactions, graph neural network (GNN)-based methods have been widely used to predict quantum mechanical properties of molecules. Most of the existing methods treat molecules as molecular…

Machine Learning · Computer Science 2020-09-29 Zeren Shui , George Karypis