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Nearly Optimal Measurement Scheduling for Partial Tomography of Quantum States

Xavier Bonet-Monroig, Ryan Babbush, Thomas E. O'Brien

arXiv:1908.05628v3quant-ph

TL;DR

The paper addresses the prohibitive circuit cost of partial tomography for reduced density matrices in quantum simulation. It introduces commutation- and anti-commutation-based measurement schedules for qubit and fermionic RDMs, proving fermionic lower bounds and constructing protocols. The results give polylogarithmic-in-N qubit scaling, asymptotically optimal fermionic 2-RDM measurement under stated circuit assumptions, and tunable linear-combination estimation costs.

  • Problem

    Partial tomography of reduced density matrices can require prohibitively many circuit repetitions, limiting variational quantum simulation.

    Source: §I · p. 1
  • Method

    The paper groups qubit Pauli and fermionic Majorana observables into structured commuting or anti-commuting measurement cliques, with binary partitions, Majorana pairings, symmetry constraints, and tunable circuit constructions.

    Source: §II · p. 2, §III · p. 2, §I · p. 2
  • Results

    Qubit k-RDMs scale as O(3^k log^(k−1)N), while fermionic protocols attain the relevant lower-bound scaling for k=2 and provide O(N^4/ω) measurements for arbitrary linear combinations.

    Source: §I · p. 2, §III · p. 3, §V · p. 5
  • Takeaways & Limitations

    The results establish an exponential separation between direct qubit and fermionic RDM measurement complexity and reduce tomography costs for near-term quantum simulation.

    Source: §V · p. 5

Abstract

from arXiv · show

Many applications of quantum simulation require to prepare and then characterize quantum states by performing an efficient partial tomography to estimate observables corresponding to $k$-body reduced density matrices ($k$-RDMs). For instance, variational algorithms for the quantum simulation of chemistry usually require that one measure the fermionic 2-RDM. While such marginals provide a tractable description of quantum states from which many important properties can be computed, their determination often requires a prohibitively large number of circuit repetitions. Here we describe a method by which all elements of $k$-body qubit RDMs acting on $N$ qubits can be directly measured with a number of circuits scaling as ${\cal O}(3^{k} \log^{k-1}\! N)$, an exponential improvement in $N$ over prior art. Next, we show that if one is able to implement a linear depth circuit on a linear array prior to measurement, then one can directly measure all elements of the fermionic 2-RDM using only ${\cal O}(N^2)$ circuits. We prove that this result is asymptotically optimal, thus establishing an exponential separation between the number of circuits required to directly measure all elements of qubit versus fermion RDMs. We further demonstrate a technique to estimate the expectation value of any linear combination of fermionic 2-RDM elements using ${\cal O}(N^4 / \omega)$ circuits, each with only ${\cal O}(\omega)$ gates on a linear array where $\omega \leq N$ is a free parameter. We expect these results will improve the viability of many proposals for near-term quantum simulation.

I. INTRODUCTION

Partial tomography estimates physically useful reduced-density-matrix observables, but the required measurement circuits can make variational quantum algorithms impractical. The paper develops structured schemes exploiting operator commutation to reduce this burden for qubit and fermionic RDMs.

  • Initial measurement bounds reached 10^13 repetitions for a 112-spin-orbital chemistry system, motivating more scalable tomography methods.Source: §I · p. 1
  • k-body RDMs provide tractable information for estimating energies, gradients, multipole moments, spin correlations, and entanglement-related properties.Source: §I · p. 1
  • Naive partial tomography requires O(N^4) unique measurement circuits because noncommuting observables require state re-preparation.Source: §I · p. 1
  • Prior graph-based approaches offered limited scaling improvements, while the paper targets regularity in local qubit and fermionic commutation relations.Source: §I · p. 2
  • The paper proposes qubit k-RDM schemes scaling as O(3^k log^(k−1)N), fermionic lower bounds and protocols, and anti-commuting measurement schemes with O(N^4/ω) measurements.Source: §I · p. 2

II. BACKGROUND

The paper frames partial tomography as grouping qubit or Majorana observables into commuting cliques whose measurements can be performed simultaneously. Qubit and fermionic systems differ because fermionic operators exhibit substantially richer anti-commutation structure.

  • Qubit k-RDMs contain expectation values of tensor products of k single-qubit Pauli operators, whereas fermionic k-RDMs contain products of k creation and k annihilation operators.Source: §II · p. 2
  • Fermionic k-RDMs can equivalently be computed from expectation values of 2k-Majorana operators, such as four-Majorana terms for the fermionic 2-RDM.Source: §II · p. 2
  • Repeated preparation and measurement estimates observables in parallel whenever they belong to a mutually commuting clique, making clique count the central tomography cost.Source: §II · p. 2
  • The approach must differ between qubits and fermions because spatially separated qubit operators commute, while corresponding fermionic operators often do not.Source: §II · p. 2

III. NEAR-OPTIMAL MEASUREMENT SCHEMES FOR LOCAL QUBIT AND FERMION OPERATORS

The paper constructs near-optimal measurement schedules for local qubit and fermionic operators, exploiting binary partitions for qubits and Majorana pairings for fermions. It proves a fermionic preparation lower bound and develops implementations with controlled circuit resources and symmetry support.

Resource comparison

  • Table I compares prior and proposed measurement partitions, circuit resources, classical costs, full-2-RDM coverage, and symmetry compatibility.Source: Table I · p. 3

Qubit operators

  • Binary partitioning measures all k-local qubit operators using O(3^k log^(k−1)N) cliques, with 6⌈log N⌉+3 cliques for k=2.Source: §III · p. 3

Fermion operators

  • Fermionic k-RDMs require more measurements because their 2k-Majorana operators anti-commute more extensively than local qubit operators.Source: §III · p. 3
  • Theorem 1 gives a worst-case lower bound of Ω(ϵ^-2N^k) state preparations for fermionic k-RDM estimation using Clifford operations and computational-basis measurement.Source: §III · p. 3
  • Majorana pairings form maximally sized commuting cliques, enabling simultaneous measurement through basis changes with circuit depth O(N).Source: §III · pp. 3–4
  • For fermionic 2-RDMs, the scheme reaches 10^?N^2 cliques as rendered in the passage, leaving a factor 5/2 gap from the lower bound.Source: §III · p. 4

Symmetry constraints

  • Symmetry constraints eliminate certain RDM terms and reduce the required clique count, with implementations converging quickly to the leading-order estimate for up to four symmetries.Source: §III · p. 4, Figure 1 · p. 4

IV. MEASURING ANTI-COMMUTING LINEAR COMBINATIONS OF LOCAL FERMIONIC OPERATORS

The paper measures linear combinations of anti-commuting fermionic operators by transforming normalized combinations into Pauli operators, trading circuit depth against the number of measured subsets.

IV. MEASURING ANTI-COMMUTING LINEAR COMBINATIONS OF LOCAL FERMIONIC OPERATORS

  • Anti-commuting Majorana cliques contain 2N−3 operators, but covering all 4-Majorana operators requires at least Ω(N^3) such cliques.The lower bound follows because any anti-commuting Pauli or Majorana clique has at most 2N+1 elements.Source: §IV · p. 4
  • A real linear combination of clique elements can be measured in one shot after unitary transformation to a chosen Pauli operator.The normalized combination is Hermitian, traceless, and squares to identity, enabling the Pauli-like transformation.Source: §IV · p. 4
  • O(N^4/ω) subsets estimate arbitrary linear combinations of 4-Majorana operators using circuits with ω gates and depth ω.Using all operators in a clique requires depth N−2 + O(1), whereas restricting each subset to ω elements reduces the circuit cost.Source: §IV · pp. 4–5

V. CONCLUSION

The paper establishes polylogarithmic measurement scheduling for qubit k-RDMs and an exponential qubit–fermion separation, while achieving quadratic scaling for complete fermionic 2-RDM estimation.

V. CONCLUSION

  • O(3^k log^(k−1) N) circuits measure all k-local qubit operators, giving a poly-logarithmic dependence on system size.The binary partition strategy produces an exponential improvement over previous qubit-tomography approaches.Source: §V · p. 5
  • Ω(N^⌈k/2⌉) unique circuits are necessary for directly sampling all k-local fermionic operators, establishing an exponential separation from qubit systems.The lower bound applies to fermionic systems, while the paper reaches it for k = 2 and k = 4.Source: §V · p. 5
  • O(N^2) circuits suffice to estimate the entire fermionic 2-RDM to constant error.This achieves the lower-bound scaling for the fermionic 2-RDM case.Source: §V · p. 5
  • The measurement schemes target the tomography bottleneck that can make partial state characterization prohibitive on experimental quantum devices.The conclusion frames optimized measurement scheduling as important for near-term quantum simulation.Source: §V · p. 5

Appendix A: Schemes for partial state tomography of qubit k-RDMs

The appendix constructs Pauli-word cliques through binary partitioning so that every qubit k-local operator appears in at least one measurement word, yielding O(3^k log^(k−1) N) cliques.

Appendix A: Schemes for partial state tomography of qubit k-RDMs

  • Pauli words specify one X, Y, or Z measurement basis per qubit, and their cliques contain tensor-product operators using those selected bases.Sampling a word estimates every contained Pauli operator simultaneously because the operators are qubit-wise commuting.Source: Appendix A · p. 6
  • For k = 2, binary partitions separate every pair of qubits, and basis assignments reduce the construction to 6⌈log N⌉ + 3 cliques.The binary representation of qubit indices guarantees that every distinct pair differs at some partition level.Source: Appendix A · pp. 6–7
  • Figure 2 depicts the binary-partition construction for O(log N) two-qubit cliques and its O(log^2 N) extension to three-qubit cliques.The two panels correspond to the pair-separation scheme and the recursive three-index partitioning scheme.Source: Figure 2 · p. 7, Appendix A · p. 7
  • For k = 3, the construction first splits the three indices into two subsets and recursively partitions the subset containing two indices.Because the two unsplit indices lie in a contiguous block, only earlier partition levels need to be iterated.Source: Appendix A · p. 7
  • O(3^k log^(k−1) N) Pauli-word cliques contain all k-qubit operators generated by the partition scheme.At each partition level, the construction considers the possible ways to divide the k operator locations into nonempty subsets.Source: Appendix A · p. 7

Appendix B: Upper bounds on the size of commuting cliques of Majorana operators.

The appendix bounds the maximum size of commuting Majorana cliques and shows that pairing achieves the resulting bound in the large-system limit, with a stated finite-size caveat for odd operators.

Appendix B: Upper bounds on the size of commuting cliques of Majorana operators.

  • The appendix defines M_l^k as the largest number of mutually commuting k-Majoranas formed from l unique Majorana terms.The bounds are developed inductively, beginning with the all-anticommuting one-Majorana case.Source: Appendix B · p. 7
  • For even k, counting shared terms reduces the clique-size problem to commuting (k−1)-Majoranas on l−1 terms.The argument identifies a shared Majorana term among sufficiently many operators and removes it while preserving commutation.Source: Appendix B · p. 7
  • For odd k, every operator must share at least one term with a chosen operator, enabling a reduction to a lower-order Majorana clique.In the large-l limit, the appendix further argues that the largest odd-k cliques must share a single common term.Source: Appendix B · pp. 7–8
  • Pairing the 2N one-Majorana operators yields commuting cliques whose size is exactly the derived upper bound for even k in the large-N limit.Thus the pairing construction is optimal in the number of commuting 2k-Majorana operators per measurement circuit.Source: Appendix B · p. 8
  • The bound is observed for k = 3 when l ≥ 315, while the authors expect the general threshold scaling to be substantially tighter than the worst-case k^2 estimate.The stated threshold corresponds to systems with more than eight fermions.Source: Appendix B · p. 8

Appendix C: Details of measurement schemes for fermionic systems

The appendix constructs commuting cliques that cover all 2-Majorana and 4-Majorana operators through recursive pairings and case-based partitioning. The resulting 4-Majorana cover retains optimal asymptotic scaling, including when N is not a power of two.

Fermionic partition strategy

  • Pairing all indices into non-overlapping pairs produces commuting cliques containing every 2-Majorana operator.The pairing scheme is optimal when N is a power of 2 and is modified for other N without changing the asymptotic scaling.Source: Appendix C · p. 8

General N

  • For non-power-of-two N, unpaired elements are accounted for while preserving the optimal asymptotic scaling.The pairing-generation code is included in the OpenFermion package [31].Source: Appendix C · p. 8

4-Majorana coverage

  • Each clique of commuting 2-Majorana operators contains commuting products, but additional cliques are required so every 4-Majorana operator is covered.The construction enlarges the clique family so each four-element Majorana set appears through two compatible pairings.Source: Appendix C · p. 8
  • The case |I0|=2 is handled by parallel pairings across recursively defined blocks, requiring 4 × 4^(n−1) cliques at each scale.The |I0|=3 or |I0|=1 case requires iterating combinations of internal and external pairs across scales.Source: Appendix C · pp. 8–9

Fermionic partition strategy

  • O(N^2) cliques suffice to contain all 4-Majorana operators under the partition strategy.The construction handles cases where subsets have sizes 1, 2, or 3 and combines pairings across recursively defined blocks.Source: Appendix C · p. 9, Figure 3 · p. 9

Appendix D: Reducing operator estimation over symmetries

This appendix reduces fermionic 2-RDM estimation by grouping Majorana operators according to their commutation labels with conserved Pauli symmetries. A parallel pairing procedure then covers the symmetry-conserved 4-Majorana operators with a cost determined by the largest label-bin size.

Symmetry-based reduction

  • Symmetries partition Majorana operators into bins labeled by whether each operator commutes or anticommutes with every symmetry.A k-Majorana operator commutes with a symmetry when an even number of its constituent Majorana terms anticommute with it.Source: Appendix D · p. 9

Clique construction

  • The symmetry-conserved 2-RDM is covered by cliques of 4-Majorana operators whose four labels form a binary parallelogram.The labels are s, s+δ, s+α, and s+α+δ in binary arithmetic.Source: Appendix D · p. 9
  • Within-bin quadruples and between-bin pairings together cover all required symmetry-conserved 4-Majorana operators.The three possible zero-coordinate cases for α, δ, or α+δ determine which bin pairs are iterated.Source: Appendix D · p. 9

Scaling

  • The total clique-cover cost is 2^(Nsym−1)(B^2 + 2B ln(B) + ln(B)^2), where B is the largest bin size.When symmetries divide the Majoranas evenly, B = 2^N × 2^(−Nsym).Source: Appendix D · p. 10

Implementation

  • Algorithm D summarizes the symmetry-constrained iteration using Hamming-weight ordering and parallel iteration routines.The implementation relies on iterQuad, pairBetween, and parallelIterate.Source: Appendix D · p. 10

Appendix E: Parallel iteration over pairings

The appendix gives a parallel iteration method for generating K-tuples whose entries cover every cross-list pair. Padding composite-length lists to a nearby suitable length yields an essentially quadratic runtime with a logarithmic correction.

Parallel iteration

  • L^2 iterations are achieved when K is smaller than the smallest factor of L, matching the lower bound for covering all cross-list pairs.The construction uses modular indexing across K lists.Source: Appendix E · p. 10

Padding strategy

  • For composite L, padding to L′ adds only a logarithmic correction, giving runtime L^2 + 2L log(L) + log(L)^2.The prime number theorem gives L′ − L ∼ log(L) when K ≤ L.Source: Appendix E · p. 10

Scope

  • The appendix hypothesizes that asymptotic L^2 iteration may be achievable for all K ≤ L but does not provide such a construction.The stated construction instead relies on the smallest-factor condition or padding.Source: Appendix E · p. 10

Appendix F: Measurement circuitry for fermionic RDMs

The appendix describes circuits for measuring fermionic operators by transforming Majorana products into locally readable operators and arranging Majoranas with swap networks. It also relates these circuits to Jordan-Wigner and Bravyi-Kitaev encodings and proves bounds on anticommuting operator sets.

Measurement transformations

  • Under Jordan-Wigner encoding, partial-swap rotations transform sums of anticommuting Majorana operators into a single measurable Majorana operator.After the rotations remove support on the other terms, the remaining operator can be measured in the final Pauli basis.Source: Appendix F · pp. 10–11

Swap-network measurement

  • Majorana swap networks require maximum circuit depth 3N and total maximum gate depth 3N^2 before locally reading out the desired pairs.Each timestep has depth 3, and N timesteps suffice because each Majorana can move up to two positions per timestep.Source: Appendix F · pp. 10–11

Symmetry verification

  • Swap gates preserve global parity, allowing parity to be measured alongside the target clique for symmetry verification.The parity can provide an error-mitigation check after the basis-change circuit.Source: Appendix F · p. 11

Bravyi-Kitaev alternative

  • The Bravyi-Kitaev alternative maps local fermionic operators to O(log N)-qubit operators, yielding (3 log N)^(O(log N)) measurement settings with single-qubit rotations.The fermionic operator set is sparse, containing O(N^4) terms, which may permit further sparsification.Source: Appendix F · p. 11

Measurement transformations

  • The resulting measurement circuits use linear gate count and depth on a line without ancillary qubits for the relevant operator sets.The circuit can remove terms from both ends in parallel, leaving one Majorana after N−2 layers.Source: Appendix F · p. 11

Anticommuting-clique bound

  • An anticommuting clique of Pauli or Majorana operators has maximum size 2^N + 1 and is unitarily equivalent to the 2^N Majoranas plus global parity.The bound follows from partitioning Pauli operators by their commutation patterns.Source: Appendix F · p. 11

Appendix H: Proof of Thm. 1

The proof reduces Clifford-based fermionic measurements to simultaneous measurements of commuting Pauli operators on the original state. It then establishes a worst-case variance bound and shows that adding |0⟩ ancillas cannot enable simultaneous measurement of non-commuting operators.

  • Mi ∼ ϵ^-2 state preparations and measurements are required to estimate each 2k-Majorana expectation value to error ϵ in the worst case.The bound is tight for a state whose measurement variance reaches the upper limit.Source: Appendix H · p. 12
  • Only commuting operators can be estimated in parallel, so the number of 2k-Majorana operators measurable per preparation is bounded by the commuting-operator partition result.The resulting preparation bound follows by combining this restriction with the per-operator measurement requirement.Source: Appendix H · p. 12
  • Clifford circuits followed by computational-basis readout are equivalent to measuring commuting Pauli operators on the original state.This correspondence underlies the preparation-count lower bound for fermionic k-RDM estimation.Source: Appendix H · p. 12
  • Adding ancillas prepared in |0⟩ cannot make non-commuting system Pauli operators simultaneously measurable through Clifford circuits.Ancilla-supported observables either provide no information or reproduce direct system-Pauli measurements; when both provide information, commutation on the system follows.Source: Appendix H · p. 12
  • The worst-case tightness argument does not describe every state: N-representability can create beneficial covariance that lowers variance for some linear combinations.The maximally mixed state has uncorrelated measurements and attains Var(⟨Γi⟩) = 1/(4Mi).Source: Appendix H · p. 12
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