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Obtaining an accurate ground state wave function is one of the great challenges in the quantum many-body problem. In this paper, we propose a new class of wave functions, neural network backflow (NNB). The backflow approach, pioneered…

Disordered Systems and Neural Networks · Physics 2019-06-19 Di Luo , Bryan K. Clark

Accurately simulating extended periodic systems is a central challenge in condensed matter physics. Neural quantum states (NQS) offer expressive wavefunctions for this task but face issues with scalability. In this work, we successfully…

Strongly Correlated Electrons · Physics 2026-03-17 An-Jun Liu , Bryan K. Clark

Accurately describing the ground state of strongly correlated systems is essential for understanding their emergent properties. Neural Network Backflow (NNBF) is a powerful variational ansatz that enhances mean-field wave functions by…

Strongly Correlated Electrons · Physics 2025-11-03 Kieran Loehr , Bryan K. Clark

Solving the electronic Schr\"odinger equation for strongly correlated systems remains one of the grand challenges in quantum chemistry. Here we demonstrate that Transformer architectures can be adapted to capture the complex grammar of…

Quantum Physics · Physics 2025-10-01 Huan Ma , Bowen Kan , Honghui Shang , Jinlong Yang

The ground state of second-quantized quantum chemistry Hamiltonians is key to determining molecular properties. Neural quantum states (NQS) offer flexible and expressive wavefunction ansatze for this task but face two main challenges:…

Chemical Physics · Physics 2025-06-18 An-Jun Liu , Bryan K. Clark

Neural quantum states (NQS) are a promising ansatz for solving many-body quantum problems due to their inherent expressiveness. Yet, this expressiveness can only be harnessed efficiently for treating identical particles if the suitable…

Chemical Physics · Physics 2026-04-24 Lexin Ding , Markus Reiher

Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant…

Strongly Correlated Electrons · Physics 2025-02-03 Imelda Romero , Jannes Nys , Giuseppe Carleo

In recent years, neural quantum states have emerged as a powerful variational approach, achieving state-of-the-art accuracy when representing the ground-state wave function of a great variety of quantum many-body systems, including spin…

Quantum Physics · Physics 2025-06-18 Zakari Denis , Giuseppe Carleo

Non-Hermitian (NH) quantum systems have emerged as a powerful framework for describing open quantum systems, non-equilibrium dynamics, and engineered quantum optical materials. However, solving the ground-state properties of NH systems is…

Quantum Physics · Physics 2025-12-17 Lavoisier Wah , Remmy Zen , Flore K. Kunst

Quantum machine learning (QML) shows promise for analyzing quantum data. A notable example is the use of quantum convolutional neural networks (QCNNs), implemented as specific types of quantum circuits, to recognize phases of matter. In…

Quantum Physics · Physics 2025-01-07 Chukwudubem Umeano , Annie E. Paine , Vincent E. Elfving , Oleksandr Kyriienko

Simulating quantum many-body systems is believed to be one of the most promising applications of near-term noisy quantum computers. However, in the near term, system size limitation will remain a severe barrier for applications in materials…

Strongly Correlated Electrons · Physics 2024-05-10 Anshumitra Baul , Herbert F Fotso , Hanna Terletska , Juana Moreno , Ka-Ming Tam

Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…

Materials Science · Physics 2025-12-22 Jijie Zou , Zhanghao Zhouyin , Qiangqiang Gu , Shishir Kumar Pandey

Accurately and efficiently simulating complex fluid dynamics is a challenging task that has traditionally relied on computationally intensive methods. Neural network-based approaches, such as convolutional and graph neural networks, have…

Machine Learning · Computer Science 2025-03-14 Zeyi Xu , Jinfan Liu , Kuangxu Chen , Ye Chen , Zhangli Hu , Bingbing Ni

We propose a hybrid variational framework that enhances Neural Quantum States (NQS) with a Normalising Flow-based sampler to improve the expressivity and trainability of quantum many-body wavefunctions. Our approach decouples the sampling…

Quantum Physics · Physics 2025-06-17 Vishal S. Ngairangbam , Michael Spannowsky , Timur Sypchenko

Neural material representations are becoming a popular way to represent materials for rendering. They are more expressive than analytic models and occupy less memory than tabulated BTFs. However, existing neural materials are immutable,…

Computer Vision and Pattern Recognition · Computer Science 2024-03-14 Carlos Rodriguez-Pardo , Konstantinos Kazatzis , Jorge Lopez-Moreno , Elena Garces

This study proposes a neural disparity field (NDF) that establishes an implicit, continuous representation of scene disparity based on a neural field and an iterative approach to address the inverse problem of NDF reconstruction from…

Image and Video Processing · Electrical Eng. & Systems 2025-07-01 Ligen Shi , Chang Liu , Xing Zhao , Jun Qiu

Machine learning techniques such as artificial neural networks are currently revolutionizing many technological areas and have also proven successful in quantum physics applications. Here we employ an artificial neural network and deep…

Neural-network-based variational quantum states in general, and more recently autoregressive models in particular, have proven to be powerful tools to describe complex many-body wave functions. However, their performance crucially depends…

Strongly Correlated Electrons · Physics 2025-12-02 João Augusto Sobral , Michael Perle , Mathias S. Scheurer

Memory effects in non-Markovian dynamics are often diagnosed either via quantum-correlation revivals or via non-monotonic classical information measures, yet a unified minimal framework comparing their ``backflow phases'' is still lacking.…

Quantum Physics · Physics 2026-01-28 Koichi Nakagawa

Machine learning, one of today's most rapidly growing interdisciplinary fields, promises an unprecedented perspective for solving intricate quantum many-body problems. Understanding the physical aspects of the representative artificial…

Disordered Systems and Neural Networks · Physics 2017-05-12 Dong-Ling Deng , Xiaopeng Li , S. Das Sarma
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