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Strongly correlated materials host a rich variety of exotic quantum phases but remain challenging to solve due to strong interactions. We introduce the Neural Transformer Backflow (NTB) framework, a powerful neural-network ansatz formulated…

Strongly Correlated Electrons · Physics 2025-10-20 Lixing Zhang , Di Luo

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

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

The ground state of second-quantized quantum chemistry Hamiltonians provides access to an important set of chemical properties. Wavefunctions based on ML architectures have shown promise in approximating these ground states in a variety of…

Chemical Physics · Physics 2024-11-04 An-Jun Liu , Bryan K. Clark

A core technology that has emerged from the artificial intelligence revolution is the recurrent neural network (RNN). Its unique sequence-based architecture provides a tractable likelihood estimate with stable training paradigms, a…

Disordered Systems and Neural Networks · Physics 2020-07-01 Mohamed Hibat-Allah , Martin Ganahl , Lauren E. Hayward , Roger G. Melko , Juan Carrasquilla

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

Neural networks (NNs) have great potential in solving the ground state of various many-body problems. However, several key challenges remain to be overcome before NNs can tackle problems and system sizes inaccessible with more established…

Strongly Correlated Electrons · Physics 2026-02-24 Khachatur Nazaryan , Filippo Gaggioli , Yi Teng , Liang Fu

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

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 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

Among the variational wave functions for Fermionic Hamiltonians, neural network backflow (NNBF) and hidden fermion determinant states (HFDS) are two prominent classes to provide accurate approximations to the ground state. Here we develop a…

Disordered Systems and Neural Networks · Physics 2024-11-18 Zejun Liu , Bryan K. Clark

The challenge posed by the many-body problem in quantum physics originates from the difficulty of describing the non-trivial correlations encoded in the exponential complexity of the many-body wave function. Here we demonstrate that…

Disordered Systems and Neural Networks · Physics 2017-02-13 Giuseppe Carleo , Matthias Troyer

Quantum Machine Learning continues to be a highly active area of interest within Quantum Computing. Many of these approaches have adapted classical approaches to the quantum settings, such as QuantumFlow, etc. We push forward this trend and…

Quantum Physics · Physics 2022-10-12 Samuel A. Stein , Ying Mao , James Ang , Ang Li

Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…

Strongly Correlated Electrons · Physics 2025-10-14 M. Schuyler Moss , Roeland Wiersema , Mohamed Hibat-Allah , Juan Carrasquilla , Roger G. Melko

Recurrent neural networks (RNNs), originally developed for natural language processing, hold great promise for accurately describing strongly correlated quantum many-body systems. Here, we employ 2D RNNs to investigate two prototypical…

Strongly Correlated Electrons · Physics 2023-10-27 Mohamed Hibat-Allah , Roger G. Melko , Juan Carrasquilla

Quantum machine learning, focusing on quantum neural networks (QNNs), remains a vastly uncharted field of study. Current QNN models primarily employ variational circuits on an ansatz or a quantum feature map, often requiring multiple…

Quantum Physics · Physics 2024-02-02 Utkarsh Singh , Aaron Z. Goldberg , Khabat Heshami

In this paper, we demonstrate the expressibility of artificial neural networks (ANNs) in quantum many-body physics by showing that a feed-forward neural network with a small number of hidden layers can be trained to approximate with high…

Strongly Correlated Electrons · Physics 2018-01-17 Zi Cai , Jinguo Liu

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

In this study we employ a feed-forward artificial neural network (FFNN) architecture to perform tomography of quantum states and processes obtained from noisy experimental data. To evaluate the performance of the FFNN, we use a heavily…

Quantum Physics · Physics 2024-11-05 Akshay Gaikwad , Omkar Bihani , Arvind , Kavita Dorai

Training of neural networks (NNs) has emerged as a major consumer of both computational and energy resources. Quantum computers were coined as a root to facilitate training, but no experimental evidence has been presented so far. Here we…

Quantum Physics · Physics 2025-12-02 Hao Zhang , Alex Kamenev
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