Neural-Quantum-States Impurity Solver for Quantum Embedding Problems
Yinzhanghao Zhou, Tsung-Han Lee, Ao Chen, Nicola Lanatà, Hong Guo · Sep 15, 2025 · Citations: 0
How to use this paper page
Coverage: StaleUse this page to decide whether the paper is strong enough to influence an eval design. It summarizes the abstract plus available structured metadata. If the signal is thin, use it as background context and compare it against stronger hub pages before making protocol choices.
Best use
Background context only
Metadata: StaleTrust level
Provisional
Signals: StaleWhat still needs checking
Structured extraction is still processing; current fields are metadata-first.
Signal confidence unavailable
Abstract
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 (QE) methods, focusing on the ghost Gutzwiller Approximation (gGA) framework. We introduce a graph transformer-based NQS framework able to represent arbitrarily connected impurity orbitals of the embedding Hamiltonian (EH) and develop an error control mechanism to stabilize iterative updates throughout the QE loops. We validate the accuracy of our approach with benchmark gGA calculations of the Anderson Lattice Model, yielding results in excellent agreement with the exact diagonalisation impurity solver. Finally, our analysis of the computational budget reveals the method's principal bottleneck to be the high-accuracy sampling of physical observables required by the embedding loop, rather than the NQS variational optimization, directly highlighting the critical need for more efficient inference techniques.