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Neural quantum states (NQS) are a novel class of variational many-body wave functions that are very flexible in approximating diverse quantum states. Optimization of an NQS ansatz requires sampling from the corresponding probability…
The representation of a quantum wave function as a neural network quantum state (NQS) provides a powerful variational ansatz for finding the ground states of many-body quantum systems. Nevertheless, due to the complex variational landscape,…
Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…
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…
The rapid development of neural quantum states (NQS) has established it as a promising framework for studying quantum many-body systems. In this work, by leveraging the cutting-edge transformer-based architectures and developing highly…
Neural quantum states (NQSs) are powerful variational ans\"atze capable of representing highly entangled quantum many-body wavefunctions. While the average entanglement properties of ensembles of restricted Boltzmann machines are well…
Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…
Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the restricted Boltzmann machine (RBM) has been adapted to model…
Variational optimization of neural-network representations of quantum states has been successfully applied to solve interacting fermionic problems. Despite rapid developments, significant scalability challenges arise when considering…
Neural network quantum states emerge as a promising tool for solving quantum many-body problems. However, its successes and limitations are still not well-understood in particular for Fermions with complex sign structures. Based on our…
The variational quantum eigensolver is a promising way to solve the Schr\"odinger equation on a noisy intermediate-scale quantum (NISQ) computer, while its success relies on a well-designed wavefunction ansatz. Compared to physically…
Neural quantum states (NQS) provide flexible and compact wavefunction parameterizations for numerical studies of quantum many-body physics. In particular, NQS aim to circumvent the exponential scaling of the Hilbert space by compressing…
Neural Quantum States (NQS) are now among the most accurate methods for studying strongly correlated many-fermion systems, outperforming existing many-body approaches for large systems. However, NQS calculations remain extremely…
We introduce an efficient approach to implement neural network quantum states (NNQS) as trial wavefunctions in auxiliary-field quantum Monte Carlo (AFQMC). NNQS are a recently developed class of variational ans\"atze capable of flexibly…
Neural quantum states (NQS) have emerged as a promising approach to solve second-quantized Hamiltonians, because of their scalability and flexibility. In this work, we design and benchmark an NQS impurity solver for the quantum embedding…
The variational optimization of high-dimensional neural network models, such as those used in neural quantum states (NQS), presents a significant challenge in machine intelligence. Conventional first-order stochastic methods (e.g., Adam)…
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
Neural quantum states have emerged as a widely used approach to the numerical study of the ground states of non-stoquastic Hamiltonians. However, existing approaches often rely on a priori knowledge of the sign structure or require a…
Quantum state tomography (QST) aiming at reconstructing the density matrix of a quantum state plays an important role in various emerging quantum technologies. Recognizing the challenges posed by imperfect measurement data, we develop a…
Neural network quantum states are a promising tool to analyze complex quantum systems given their representative power. It can however be difficult to optimize efficiently and effectively the parameters of this type of ansatz. Here we…