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arXiv:2510.19219

Symmetry-Adapted Eigensolver from Real-Space Sampling of Tensor-Network-Bridged Quantum Circuits

Lei Xu, Ling Wang

Published Oct 22, 2025• 0 citations
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Abstract

We propose a symmetry-adapted eigensolver for strongly correlated systems that separates where the wave function is \emph{sampled} from where it is \emph{defined}. The lattice is divided into equal blocks: parallel quantum circuits absorb the entanglement within each block, while a matrix product state (MPS) backbone bridges the blocks and restores global correlations. The resulting real-space amplitude $ϕ(a_{\rm real})$ acts only as a sample generator---configurations are drawn from $|ϕ(a_{\rm real})|^2$ directly, block by block, without any Markov chain. The variational state itself is defined in a symmetry-adapted basis by two separate rules: the modulus of $ψ(a_{\rm symm})$ is the square root of the total weight accumulated over the entire equivalence class, $\widetilde{p}(a_{\rm symm})=\sum_{a_{\rm real}\in\{g a_{\rm repr}\}}|ϕ(a_{\rm real})|^2$, whereas its phase is inherited from the single representative amplitude $ϕ(a_{\rm repr})$. The modulus rule is what makes the scheme both exact and cheap: the distribution$\widetilde{p}(a_{\rm symm})$ sampled in the symmetric basis is exactly the one induced by the mapping from the real-space distribution $p(a_{\rm real})$, so every generated configuration is an unbiased sample of $|ψ(a_{\rm symm})|^2$; the phase rule then fixes the only freedom that remains. Because amplitudes within a class are combined in probability rather than summed with symmetry characters, $ψ$ is \emph{not} a group projection of the circuit-MPS state; the class-wide aggregation instead supplies long-range, symmetry-enforced entanglement that the MPS never has to carry itself.

DOI
10.48550/arxiv.2510.19219

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We propose a symmetry-adapted eigensolver for strongly correlated systems that separates where the wave function is \emph{sampled} from where it is \emph{defined}. The lattice is divided into equal blocks: parallel quantum circuits absorb the entanglement within each block, while a matrix product state (MPS) backbone bridges the blocks and restores global correlations. The resulting real-space amplitude ϕ(areal)ϕ(a_{\rm real})ϕ(areal​) acts only as a sample generator---configurations are drawn from ∣ϕ(areal)∣2|ϕ(a_{\rm real})|^2∣ϕ(areal​)∣2 directly, block by block, without any Markov chain. The variational state itself is defined in a symmetry-adapted basis by two separate rules: the modulus of ψ(asymm)ψ(a_{\rm symm})ψ(asymm​) is the square root of the total weight accumulated over the entire equivalence class, p~(asymm)=∑areal∈{garepr}∣ϕ(areal)∣2\widetilde{p}(a_{\rm symm})=\sum_{a_{\rm real}\in\{g a_{\rm repr}\}}|ϕ(a_{\rm real})|^2p​(asymm​)=∑areal​∈{garepr​}​∣ϕ(areal​)∣2, whereas its phase is inherited from the single representative amplitude ϕ(arepr)ϕ(a_{\rm repr})ϕ(arepr​). The modulus rule is what makes the scheme both exact and cheap: the distributionp~(asymm)\widetilde{p}(a_{\rm symm})p​(asymm​) sampled in the symmetric basis is exactly the one induced by the mapping from the real-space distribution p(areal)p(a_{\rm real})p(areal​), so every generated configuration is an unbiased sample of ∣ψ(asymm)∣2|ψ(a_{\rm symm})|^2∣ψ(asymm​)∣2; the phase rule then fixes the only freedom that remains. Because amplitudes within a class are combined in probability rather than summed with symmetry characters, ψψψ is \emph{not} a group projection of the circuit-MPS state; the class-wide aggregation instead supplies long-range, symmetry-enforced entanglement that the MPS never has to carry itself.
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We study the conditions under which Matrix Product States (MPS) or Matrix Product Operators are exact eigenvectors of an extensive local operator, such as a Hamiltonian. By suitably choosing the local operator, this covers a wide range of settings: Exact eigenstates of Hamiltonians, including scar states, exact MPS trajectories for driven quantum systems, steady states of local Lindbladians, generalized symmetries of either Hamiltonians or density matrices, and many more. Our key result is that a local, fixed-size equation---namely, how a single term in the operator acts on a block of tensors---provides a necessary and sufficient condition for exact solutions. This local characterization allows us to obtain the full space of MPS solutions to all of the aforementioned problems; in particular, we exemplify the power of our results by recovering the quantum group symmetries of the XXZ model. We also discuss applications to numerical algorithms with MPS and the generalization of our results to 2D, i.e., projected entangled pair states (PEPS).
Neural-network quantum states (NNQS) provide a flexible variational framework for many-electron wave functions, but their performance in quantum chemistry depends strongly on whether the ansatz encodes the physical structure of the electronic Hilbert space. In this work, we introduce symmetry-blocked matrix product states (MPS) as neural-network quantum-state ansatzes, denoted QiankunNet-MPS, for ab initio quantum chemistry, explicitly enforcing the U(1) ⊗ U(1) particle-number symmetry of electronic Hamiltonians to eliminate unphysical configurations and reduce the number of variational parameters. We further develop batched autoregressive sampling for canonical MPS representations and a two-site sweeping optimization scheme that combines stochastic energy gradients with singular value decomposition (SVD)-based bond adaptation. Benchmarks on small molecules show ground-state energies comparable with density matrix renormalization group (DMRG) at the same bond dimensions, while Fe2S2 calculations illustrate how DMRG-initialized bond expansion and variance extrapolation can be used to assess the large-bond-dimension trend in a strongly correlated transition-metal active space.
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