We develop a basis-resolved covariance framework for investigating the organization of low-energy many-body wavefunctions in the spin-$1/2$ Kitaev--Heisenberg model. By constructing covariance matrices from local-spin, bond-correlation, and plaquette-flux representations of the low-energy states, Principal Component Analysis (PCA) is employed to identify the dominant collective covariance modes. We find a systematic evolution of the covariance geometry across the phase diagram: magnetically ordered phases are described by an essentially one-dimensional covariance manifold, conventional magnetic phase boundaries exhibit competition between leading covariance modes, whereas the Kitaev regimes develop intrinsically multidimensional covariance geometry. Furthermore, the same many-body wavefunction produces distinct covariance geometries in different operator representations, demonstrating that covariance geometry is determined jointly by the quantum state and the physical observables used to probe it. Shannon entropy and the participation ratio provide quantitative measures of this evolution. The present framework establishes basis-resolved covariance geometry as a complementary statistical perspective for characterizing frustrated quantum many-body systems beyond conventional order parameters.
Covariance Geometry of Basis-Resolved Low-Energy Wavefunctions in the Spin-1/2 Kitaev--Heisenberg Model
We develop a basis-resolved covariance framework for investigating the organization of low-energy many-body wavefunctions in the spin-1/2 Kitaev--Heisenberg model. By constructing covariance matrices from local-spin, bond-correlation, and plaquette-flux representations of the low-energy states, Principal Component Analysis (PCA) is employed to identify the dominant collective covariance modes. We find a systematic evolution of the covariance geometry across the phase diagram: magnetically ordered phases are described by an essentially one-dimensional covariance manifold, conventional magnetic phase boundaries exhibit competition between leading covariance modes, whereas the Kitaev regimes develop intrinsically multidimensional covariance geometry. Furthermore, the same many-body wavefunction produces distinct covariance geometries in different operator representations, demonstrating that covariance geometry is determined jointly by the quantum state and the physical observables used to probe it. Shannon entropy and the participation ratio provide quantitative measures of this evolution. The present framework establishes basis-resolved covariance geometry as a complementary statistical perspective for characterizing frustrated quantum many-body systems beyond conventional order parameters.
We study the ground-state phase diagram of the spin-1/2 antiferromagnetic Heisenberg model on the square-kagome lattice using infinite projected entangled-pair states (iPEPS). By systematically varying the ratio of exchange couplings on triangular and square plaquettes, we establish a complete quantum phase diagram in the thermodynamic limit. In the intermediate-coupling regime, we identify four distinct nonmagnetic phases that are unambiguously characterized as valence-bond crystals (VBCs) by their symmetry-inequivalent patterns of strong and weak spin-spin correlations. These include a plaquette crossed-dimer VBC, a loop-six VBC stabilized around the isotropic point, a generalized pinwheel VBC with reduced rotational symmetry, and a decorated loop-six VBC proximate to ferrimagnetic order. We determine the phase boundaries using a combination of bond-resolved correlation functions, entanglement entropy, and magnetization. For transitions not accompanied by sharp entanglement signatures, we extract the spin gap from finite-field simulations, allowing us to distinguish gapped and gapless VBC phases. At larger coupling ratios, the system undergoes transitions into imperfect and perfect ferrimagnetic states. Our results resolve long-standing ambiguities in the square-kagome Heisenberg model and provide a quantitatively reliable reference for future theoretical and experimental studies of frustrated quantum magnets.
We explore the phase diagram of the Kitaev-Heisenberg model with nearest neighbor interactions on the honeycomb lattice using the exact diagonalization of finite systems combined with the cluster mean field approximation, and supplemented by the insights from analytic approaches: the linear spin-wave and second-order perturbation theories. This study confirms that by varying the balance between the Heisenberg and Kitaev term, frustrated exchange interactions stabilize in this model either one of four phases with magnetic long range order: N\'eel phase, ferromagnetic phase, and two other phases with coexisting antiferromagnetic and ferromagnetic bonds, zigzag and stripy phase, or one of two distinct spin-liquid phases. Out of these latter disordered phases, the one with ferromagnetic Kitaev interactions has a substantially broader range of stability as the neighboring competing ordered phases, ferromagnetic and stripy, have very weak quantum fluctuations. Focusing on the quantum spin-liquid phases, we study spatial spin correlations and dynamic spin structure factor of the model by the exact diagonalization technique, and discuss the evolution of gapped low-energy spin response across the quantum phase transitions between the disordered spin liquid and phases with long range magnetic order.
Conventional practice of spatially resolved detection in diffusion-coupled thermal atomic vapors implicitly treat localized responses as mutually independent. However, in this study, it is shown that observable correlations are governed by the intrinsic spatiotemporal covariance of a global spin-fluctuation field, such that spatial separation specifies only overlapping statistical projections rather than independent physical components. A unified field-theoretic description is established in which sub-ensembles are defined as measurement-induced statistical projections of a single stochastic field. Within this formulation, sub-ensemble correlations are determined by the covariance operator, inducing a natural geometry in which statistical independence corresponds to orthogonality of the measurement functionals. For collective spin fluctuations described by a diffusion-relaxation Ornstein-Uhlenbeck stochastic field, the covariance spectrum admits only a finite set of fluctuation modes in a bounded domain, imposing an intrinsic, field-level limit on the number of statistically distinguishable sub-ensembles. The loss of sub-ensemble independence is formalized through the notion of spatial sampling overlap, which quantifies the unavoidable statistical coupling arising from shared access to common low-order fluctuation modes. While multi-channel atomic magnetometry provides a concrete physical setting in which these constraints become explicit, the framework applies generically to diffusion-coupled stochastic fields.
We investigate disordered one- and two-dimensional Heisenberg spin lattices across the transition from integrability to quantum chaos from both statistical many-body and quantum-information perspectives. Special emphasis is devoted to quantitatively exploring the interplay between eigenvector statistics, delocalization, and entanglement in the presence of nontrivial symmetries. The implication of the basis dependence of state delocalization indicators (such as the number of principal components) is addressed, and a measure of relative delocalization is proposed in order to robustly characterize the onset of chaos in the presence of disorder. Both standard multipartite and generalized entanglement are investigated in a wide parameter regime by using a family of spin- and fermion-purity measures, their dependence on delocalization and on energy spectrum statistics being examined. A distinctive correlation between entanglement, delocalization, and integrability is uncovered, which may be generic to systems described by the two-body random ensemble and may point to a new diagnostic tool for quantum chaos. Analytical estimates for typical entanglement of random pure states restricted to a proper subspace of the full Hilbert space are also established and compared with random matrix theory predictions.
Exact fermion to qubit transformations are conventionally regarded as algorithmic tools that translate many-body Hamiltonians into qubit representations for quantum simulation. Here we show that they also define intrinsic geometric representations whose structure encodes physically meaningful information beyond spectral equivalence. We develop a geometric framework based on weighted hypergraphs and coupling space representations constructed from the Bravyi--Kitaev (BK) and Xia--Bian--Kais (XBK) encodings. Within the BK representation, we introduce a geometric observable that compares the algebraic connectivities of the kinetic and interaction hypergraphs, derive its exact analytical dependence on interaction strength, and uncover two geometric universality classes together with an exact spectral organization originating from the binary tree architecture of the encoding. The complementary XBK representation describes the evolution of encoded Hamiltonians through probability measures in coupling space, where optimal transport quantifies interaction-driven reorganization independently of the spectral analysis. Applications to the Hubbard, spinless tV , single impurity Anderson, and Kitaev models demonstrate that these connectivity and transport based geometric descriptions consistently capture the structural evolution of encoded quantum Hamiltonians across distinct classes of many-body systems. Our results establish hypergraph geometry as a new framework for understanding fermion-to-qubit encodings,revealing that they serve not only as computational mappings but also as geometric representations of quantum many-body Hamiltonians.
Unsupervised Discovery of Intermediate Phase Order in the Frustrated J1-J2 Heisenberg Model via Prometheus Framework
The spin-1/2J1-J2 Heisenberg model on the square lattice exhibits a debated intermediate phase between Néel antiferromagnetic and stripe ordered regimes, with competing theories proposing plaquette valence bond, nematic, and quantum spin liquid ground states. We apply the Prometheus variational autoencoder framework -- previously applied to classical (2D, 3D Ising) and quantum (disordered transverse field Ising) phase transitions -- to systematically explore the J1-J2 phase diagram using a multi-scale approach. For L=4, we employ exact diagonalization with full wavefunction analysis via quantum-aware VAE. For larger systems (L=6,8), we introduce a reduced density matrix (RDM) based methodology using DMRG ground states, enabling scaling beyond the exponential barrier of full Hilbert space representation. Through dense parameter scans of J2/J1∈[0,1] and comprehensive latent space analysis, we identify the structure factor S(π,π) and S(π,0) as the dominant order parameters discovered by the VAE, with correlations exceeding ∣r∣>0.97. The RDM-VAE approach successfully captures the Néel-to-stripe crossover near J2/J1≈0.5--0.6, demonstrating that local quantum correlations encoded in reduced density matrices contain sufficient information for unsupervised phase discovery. This work establishes a scalable pathway for applying machine learning to frustrated quantum systems where full wavefunction access is computationally prohibitive.