Quantum subspace methods are often compared by basis dimension or energyerror, although their dominant experimental costs arise from different statepreparations, measurement settings, and shot allocations. We present theDyadic Adaptive Clifford-Algebra Subspace Eigensolver (DA-CASE), whose basisstates are virtual directions $A_i|\psi\rangle$ generated from one reference.Overlap, Hamiltonian, and observable matrices are reconstructed from onecached set of Pauli expectations on that reference. The method thereforetrades multiple prepared basis states for a potentially wide measurement bank.We make that trade explicit on a frozen eight-qubit H$_4$ Hamiltonian. Twogenerator resolutions reach the same nine-dimensional subspace and the sameenergy to machine precision, while the retained bank changes from 7371 to 2240Pauli words. A reference-conditioned symmetry test certifies the narrower spanwithout asserting that its individual Pauli words conserve the sector asabstract operators. Independently, a dyadic commuting hierarchy reduces thedeterminant bank from 913 qubit-wise-commuting settings to 64 fully commutingsettings, while exposing the added logical-CX cost. In a separate four-qubitfinite-shot diagnostic, covariance-aware allocation reduces theprojected-matrix variance target by 68.9%. Mode-wise overlap regularizationremoves the observed catastrophic energy estimates and lowers RMSE, butdoubles the median error relative to a fixed cutoff. These are small-instanceexact and Monte Carlo results, not a hardware demonstration, scaling result,or quantum advantage claim. The contribution is a single-referencemeasurement architecture and a resource ledger that keeps contexts, settings,shots, circuit depth, and post-selection retries in their proper units.
Electronic-structure and embedding workflows terminate in effective many-body Hamiltonians, whereas quantum eigensolver studies often start from hand-built qubit models. We present the Adaptive Clifford-Algebra Subspace Eigensolver (A-CASE), a single-reference, operator-generated Rayleigh--Ritz method. Overlap, Hamiltonian, observable, and response matrices are reconstructed from one shared Pauli-expectation bank, while adaptive growth scores overlap-aware local pencils and rejects symmetry leakage or near-linear dependence. A strict FCIDUMP adapter supplies the active-space boundary. For linear H$_4$ in STO-3G with CAS(4e,4o), the mapped sector agrees with independent determinant FCI to $3.1\times10^{-15}$ Ha. At a nine-vector budget A-CASE has a $3.019$ mHa error; replacing the determinant reference by a two-operator ADAPT-VQE state reduces it to $0.342$ mHa, without implying a matched total-cost advantage. Under a matched contract, the fixed-reference route uses one state preparation versus ADAPT-VQE's ninety but measures roughly an order of magnitude more Pauli words. Exact fixed-angle ADAPT-GCIM gives $13.364$ mHa at the nearest size match and $10.674$ mHa at the iteration match, with its transition-pair burden reported separately. Across a broader benchmark ladder, fixed Krylov bases are generally more accurate and often narrower but substantially less well conditioned. A grouped bootstrap propagates finite-shot variability through thresholding, diagonalization, root matching, spectral weights, susceptibility, and broadening; its bands are explicitly heuristic and conditional, not finite-sample confidence certificates. The work establishes an executable path from an interchange Hamiltonian to energies, correlations, and response, without claiming materials accuracy, favorable scaling, or quantum advantage.
Sampling-based quantum diagonalization method exploits Quantum-centric supercomputing platforms to sample bitstrings for Hamiltonian projection on a quantum computer, and then classically diagonalize the Hamiltonian to estimate the eigenvalues and eigenvectors. In current quantum devices an algorithm is useful when shallow quantum circuits with error mitigation support can discover better results while having either a proof of convergence or some method to explain trust in experiment. In this paper, we introduce DF-SQD, a hybrid algorithm that derives deterministic auxiliary-field circuits from selected double-factorization leaves of the two-electron tensor. The circuits propose occupation-number configurations, while selected configuration interaction evaluates the original active-space Hamiltonian and can recentre subsequent proposal rounds. On N2 (32 qubits; 6-31G basis) and a 40-qubit [Fe2S2(SCH3)4]2- active-space Hamiltonian, we show that DF-SQD improves the energy obtained from sampled determinant spaces while using shallow number-preserving circuits in both simulator and hardware runs. For N2, DF-SQD is 45x more accurate with a 11.23\% smaller subspace, and due to its ability to sample better bitstrings at lesser shots it is 2.93x faster than SQD in quantum devices. For the iron-sulfur cluster, DF-SQD generated a subspace dimension of 221M with 400K shots, while SQD needed 1.5M shots to generate a 238M subspace, thus we have better subspace recovery evident from the hardware at 3.75x reduced shots. At a matched 50M subspace dimension, DF-SQD is 1.32x more accurate (achieves a 24.5\% relative error reduction over standard SQD). So overall, our method is able to discover better results with shallower circuits, is sample efficient, uses configuration recovery (so has targeted error mitigation) and we have empirical convergence observation.
A protocol for approximating the measurement distributions of quantum states, extending beyond standard observable estimation is introduced, and tightened gate complexity bounds for practically relevant systems, including those with k-local interactions, long-tailed matrix ensembles, and conserved quantities are provided.
A. Mazumder, James D. Watson, Samson Wang· 0 citations
Sample-based quantum diagonalization (SQD) and quantum-selected configuration interaction (QSCI) are the electronic-structure methods with most hardware traction, yet their canonical target -- the ground-state energy -- is where classical methods have caught up. We move the target to dynamics and the resource question. From one bitstring-sampling primitive -- computational-basis measurements of a shallow real-time circuit, with no Hadamard or controlled unitaries -- we reconstruct, from sampled subspaces, the single-particle spectral functions $A(\omega)$ and $A(k,\omega)$ and the neutral-sector dynamical structure factors $S(q,\omega)$ and $S^{zz}(q,\omega)$, each built classically in the Lehmann representation from its own subspace. The reconstruction matches exact diagonalization on Hubbard chains and, for $A(\omega)$, across nineteen molecules (FCI-verified to $<10^{-5}$ Ha), and runs on the IBM Heron processor. Second, we ask which resource controls the cost -- the determinant support $|\mathcal{S}|$ the sampler must populate. On number-conserving states the fermionic AntiFlatness collapses to one 1-RDM invariant, $\mathcal{F}_1 = 4\,\mathrm{tr}[\gamma(1-\gamma)] = 2N_u$. An orbital-rotation (Gaussian) invariant while $|\mathcal{S}|$ is basis dependent, $\mathcal{F}_1$ is provably decoupled from the cost; the cost is instead lower-bounded and tracked by the entanglement -- the minimal bond dimension $\chi$ (Spearman $\rho = 0.90$). One-body magic is thus a faithful multireference diagnostic but an unreliable cost predictor; any genuine advantage lives in the non-Gaussianity of the higher-body cumulants. We prove moment exactness and a sampling bound polynomial in $|\mathcal{S}|$, independent of Hilbert-space dimension. Self-consistent configuration recovery improves the subspace under device noise, while a learned generative model does not beat that classical baseline.
The quantum-selected configuration interaction identifies important determinantal basis functions through real-time evolution of a reference wavefunction and diagonalizing the Hamiltonian matrix in the resulting selected subspace. However, implementing the full electronic Hamiltonian on noisy quantum devices leads to rapidly increasing circuit complexity, limiting its scalability. To address this issue, we identify the dominant fermionic excitation operators and perform reference-state fidelity loss analysis to construct a compact Hamiltonian, reducing computational overhead while retaining high precision. Applied to Group IIIA monofluorides (BF, AlF, GaF, InF, and TlF), the proposed framework achieves a near-quadratic improvement in Hamiltonian-term scaling, enabling resource-efficient simulations. We employ this framework to compute the relativistic ground-state energies and permanent electric dipole moments (PDMs) of the systems under consideration. After validating the framework via simulations, we demonstrate hardware execution for AlF and TlF on the IBM Marrakesh processor using active spaces of up to 20 qubits. For a 20-qubit TlF system, the reduced Hamiltonian yields a reduction of higher than $ 98\%$ in both circuit depth and two-qubit gate counts, with the resulting PDMs from quantum hardware matching complete active space configuration interaction values within $99.99\%$. These results demonstrate the scalability of this approach on noisy intermediate-scale quantum devices.
Suprava Sahoo, Abdul Kalam, Kenji Sugisaki et al.· 0 citations
Generalized measurements can be implemented projectively after enlarging the Hilbert space, but this dilation changes the available local dimension. We construct a Bell functional with rational coefficients that separates the two measurement models at local dimension two. An explicit three-outcome qubit positive-operator-valued measure with rational matrix entries attains $2\sqrt2+1/100$. On the other hand, all qubit-projective strategies are bounded by $2\sqrt2+\sqrt5/250+\sqrt2/32400$, giving a fully analytic certified gap greater than $1/1000$. To our knowledge, this is the first fully analytic Bell-functional separation between qubit POVMs and qubit projective measurements over arbitrary shared two-qubit states. Lean certificate for the separation theorem is provided for completeness. Separately, an exact level-3 noncommutative sum-of-squares certificate proves that the explicit qubit strategy attains the unrestricted finite-dimensional tensor-product quantum optimum.
Lin Zhu, Ranyiliu Chen, Xin Wang et al.· 0 citations
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