Implementation of a shooting technique for quantum optimal control on spin qudits
Pith reviewed 2026-05-15 01:17 UTC · model grok-4.3
The pith
A shooting-based method generates faster quantum control pulses than GRAPE for spin qudits.
A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.
Core claim
Our method efficiently decomposes quantum gates into electromagnetic pulses, and determines control pulses which are faster than GRAPE, all the more as the system's dimension increases.
What carries the argument
The shooting technique for solving the quantum optimal control problem, which iteratively adjusts the control pulses to satisfy the boundary conditions for the desired gate.
If this is right
- The method produces smooth control pulses suitable for experimental implementation.
- Control pulses become relatively faster compared to GRAPE as the qudit dimension grows.
- High-fidelity gates can be achieved on systems inspired by single molecule magnets.
- This supports scalable quantum technologies by enabling efficient control of higher-dimensional systems.
Where Pith is reading between the lines
- Applying this to real single-molecule magnets could reduce overall gate times in experiments.
- The approach might extend to other quantum platforms like superconducting circuits or trapped ions.
- Further optimization could combine the shooting method with machine learning for pulse shaping.
Load-bearing premise
The numerical simulations on systems inspired from single molecule magnets accurately represent the physical dynamics and control landscape of real experimental systems.
What would settle it
An experiment implementing the shooting-derived pulses on an actual single molecule magnet and measuring gate times and fidelities against GRAPE pulses would show if the speed advantage holds in practice.
Figures
read the original abstract
High-fidelity control of quantum systems is essential for scalable quantum technologies. We introduce a shooting-based method which yields smooth control pulses designed to implement gates on discrete quantum systems, and demonstrate its performances through numerical simulations on systems inspired from single molecule magnets. Our method efficiently decomposes quantum gates into electromagnetic pulses, and determines control pulses which are faster than GRAPE, all the more as the system's dimension increases.
Editorial analysis
A structured set of objections, weighed in public.
Referee Report
Summary. The paper introduces a shooting-based method for generating smooth electromagnetic control pulses to implement quantum gates on spin qudits. Numerical simulations on model Hamiltonians inspired by single-molecule magnets are used to claim that the resulting pulses are faster than those from GRAPE, with the performance advantage increasing with system dimension.
Significance. If the reported speed advantage is robust, the shooting technique would provide a useful alternative to gradient-based optimal control methods for high-dimensional discrete quantum systems, potentially reducing gate times in molecular-magnet platforms. The work supplies concrete numerical comparisons on qudit models, which is a positive step toward reproducible control design.
major comments (2)
- [Numerical simulations] The central claim that the shooting method yields faster pulses than GRAPE (with advantage growing in dimension) rests entirely on numerical results for idealized Hamiltonians; no section quantifies how the chosen anisotropy parameters or control operators reproduce measured spectra of real SMMs, nor does it test robustness when T2-limited decoherence or pulse distortions are added.
- [Method] The manuscript provides no explicit description of the shooting algorithm (e.g., the boundary-value formulation, the integrator used, or the convergence tolerance), making it impossible to verify whether the reported time reduction is independent of post-hoc parameter tuning or specific to the chosen initial guesses.
minor comments (2)
- [Abstract] The abstract should state the target gate fidelities and the precise definition of 'faster' (total pulse duration, integrated power, or number of iterations).
- [Figures] Figure captions and axis labels for the pulse shapes and fidelity-vs-time plots should include the exact qudit dimensions and the GRAPE baseline settings used for comparison.
Simulated Author's Rebuttal
We thank the referee for the constructive and detailed report. We address each major comment point by point below, indicating the revisions we will make to strengthen the manuscript while remaining faithful to the scope of the present numerical study.
read point-by-point responses
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Referee: [Numerical simulations] The central claim that the shooting method yields faster pulses than GRAPE (with advantage growing in dimension) rests entirely on numerical results for idealized Hamiltonians; no section quantifies how the chosen anisotropy parameters or control operators reproduce measured spectra of real SMMs, nor does it test robustness when T2-limited decoherence or pulse distortions are added.
Authors: We agree that the simulations employ idealized model Hamiltonians. The anisotropy parameters and control operators were chosen to be representative of values commonly reported for single-molecule magnets in the literature (e.g., axial and transverse anisotropy terms for high-spin Mn12 or Fe8 clusters). In the revised manuscript we will add an explicit subsection (new Section 2.2) that tabulates the exact parameter values together with the original experimental references from which they were drawn. We will also insert a short paragraph in the discussion section acknowledging that full experimental validation and noise robustness studies (T2 decoherence, pulse distortions) lie outside the present scope; we will note that such tests constitute a natural next step and briefly outline how the shooting method could be combined with existing open-system optimal-control frameworks. These additions improve transparency without altering the central numerical claims. revision: partial
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Referee: [Method] The manuscript provides no explicit description of the shooting algorithm (e.g., the boundary-value formulation, the integrator used, or the convergence tolerance), making it impossible to verify whether the reported time reduction is independent of post-hoc parameter tuning or specific to the chosen initial guesses.
Authors: We apologize for the missing algorithmic details. The shooting method is formulated as a two-point boundary-value problem for the time-dependent Schrödinger equation, with fixed initial and target states in the computational basis. We integrate the Schrödinger equation using a fourth-order Runge-Kutta scheme with adaptive step-size control and enforce convergence when the gate infidelity falls below 10^{-6}. Initial control pulses are generated from a low-frequency Fourier basis with random coefficients. In the revised manuscript we will insert a new Methods subsection (Section 3) containing the precise boundary-value statement, the integrator specification, the convergence tolerance, the form of the initial guesses, and a short pseudocode listing. These additions will allow independent reproduction and will demonstrate that the reported speed-up is not an artifact of hidden tuning. revision: yes
Circularity Check
No circularity; claims rest on external numerical baseline
full rationale
The derivation chain consists of a shooting-method formulation for pulse optimization followed by direct numerical benchmarking against the independent GRAPE algorithm on the same model Hamiltonians. No step reduces a claimed prediction to a fitted parameter, self-citation, or ansatz that already encodes the result; the reported speed advantage is an empirical outcome of the simulations rather than a definitional identity. The method is therefore self-contained against the external comparator.
Axiom & Free-Parameter Ledger
Reference graph
Works this paper leans on
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[1]
An analytical method: the Givens Rotation Decomposition (GRD) 5
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[2]
An optimization algorithm: the GRadient Ascent Pulse Engineering (GRAPE) method 7
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[3]
Comparing execution times between methods 8 B. Presenting a shooting technique: the Method for Adjoint and Gradient-based self-Iterative Construction And Refinement of Pulses (MAGICARP) 9
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[4]
Pontryagin’s Maximum Principle (PMP) 9
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[5]
Numerical implementation of the MAGICARP on Single Molecule Magnets (SMM) 14 A
The MAGICARP 12 III. Numerical implementation of the MAGICARP on Single Molecule Magnets (SMM) 14 A. The physics of SMM 14
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[6]
Running a Quantum Fourier Transform (QFT) on a SMM 15 B. Numerical results 18 IV. Conclusion 20 A. MAGICARP 22
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[7]
Importance of the graph 22 2
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[9]
Improvement of the GRAPE with the target fidelity 24
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[10]
Improvement of the GRAPE with the number of controls 25 C. Numerical framework 25
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[11]
Two equivalent optimal control problems in the driftless case 26
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[12]
Differential of the end-point mapping and its adjoint operator 28 a. The adjoint state method 29 b. Proofs of the JVP and VJP expressions 31
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[13]
Optimization routine: natural gradient descent 32 a. Principle of natural gradient descent 34 b. Implementation details. 35 D. Population dynamics for a QFT on the triple decker 36 References 39 I. INTRODUCTION One of the key challenges in advancing quantum simulations and computations is scaling computational power without compromising robustness against...
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[14]
For a unitary matrix this amounts to decomposing the matrix intoQunitary andRdiagonal
An analytical method: the Givens Rotation Decomposition (GRD) The Givens Rotation Decomposition [12] (GRD) is a method that systematically elim- inates subdiagonal elements by applying successive rotation matrices operating on some two-dimensional subspace to decompose any matrix into a “QR” decompostion [13] with 5 Qunitary andRupper triangular. For a un...
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[15]
An optimization algorithm: the GRadient Ascent Pulse Engineering (GRAPE) method The GRAPE method [15] decomposes a quantum operation into a sequence of multi- chromatic pulses and follows a gradient descent described in [15, Section 2]. For numerical results in section III B we will use the GRAPE method from the QuTiP library since this package is widely ...
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[16]
Comparing execution times between methods To ensure a fair comparison of the execution times obtained with the methods considered in this work, the sum of the amplitude of each monochromatic pulses is bounded by a fixed amplitude Ω. This is inspired from the analytical GRD approach, where the control consists of monochromatic pulses with fixed amplitude Ω...
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[17]
Pontryagin’s Maximum Principle (PMP) The MAGICARP consists in a finite-dimensional parametrization of controls in feedback form which is derived from the Pontryagin maximum principle (PMP), a mathematical 9 tool to reframe an optimisation problem on “trajectories” (living in an infinite dimensional space) into an Hamiltonian problem where only a finite am...
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(17) corresponds to the Schr¨ odinger equation andU 0 in eq
The MAGICARP For a quantum evolution the eq. (17) corresponds to the Schr¨ odinger equation andU 0 in eq. (23) is the identity. Inputing the running costF 0 =− pP k u2 k(t) in the Hamiltonian optimization problem of eq. (19) Jankovic derived in [19] Proposition II.3.Pulsesu k(t)of eq.(9)withk≤N ctrls ∈Nthat minimize the running costF 0 are of the form uk(...
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[19]
1a which is also known as the double decker
SMM The first molecule of interest is the bisphthalocyaninato terbium(III) (TbPc 2) molecule, a SMM synthesised in 2003 [23] and shown in the fig. 1a which is also known as the double decker. The Tb 3+ ion has a nuclear spin ofI= 3/2 [11, 24], which gives rise to 2I+ 1 = 4 energy levels. This makes the TbPc 2 an effective qu-4-it, a qudit [25] withd= 4. I...
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Running a Quantum Fourier Transform (QFT) on a SMM The Quantum Fourier Transform (QFT) on a Hilbert space of dimensiondis a linear transformation that maps each computational basis state|x⟩to an equal-magnitude super- 15 (a) (b) FIG. 2: (a) The linear graph connecting the four energy levels of a double decker TbPc 2. The spacing is unequal thanks to a non...
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[21]
Experimentally test the effectiveness of the pulses derived from the MAGICARP
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[22]
Extend the MAGICARP parametrization to closed system involving a drift Hamilto- nian, and open systems. 20 (a) (b) (c) (d) FIG. 6: Comparison of GRAPE and MAGICARP execution times for 1000 random initializations on a Tb 2Pc3 molecule. (a) QFT gate. (b) T gate. (c) X gate. (d) SUMX gate
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[23]
Understand which optimizations and parametrizations could power up the MAGI- CARP, for instance by finding a clever gradient descents algorithm
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Relate the connectivity of the graph between the system’s energy levels to the efficiency of the method in terms of execution times. a. AcknowledgementsThe authors would like to express their gratitude to Benjamin Bakri for their fruitful discussions. The authors would like to acknowledge the High Perfor- mance Computing Center of the University of Strasb...
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2a, linearly coupled graphs, and the one of the triple decker from fig
Importance of the graph The graph on which simulations are taken are ones like the double decker from fig. 2a, linearly coupled graphs, and the one of the triple decker from fig. 2b. If we assume different graphs, possible in other physical molecules and platforms, we could have different time implementations for the same target gates and Hilbert space di...
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[26]
Importance of aσ z control In all previous simulations we were using a control onσ x andσ y for each edge between levels of the Hilbert space, like in eq. (4), but not onσ z since usual physical platforms (especially for SMMs) are not allowing for such a control for experimental reasons. If we lift this experimental constraint, we can test how the GRAPE m...
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[27]
Improvement of the GRAPE with the target fidelity The GRAPE method gives better execution times according to the target fidelity it has too reach. It is understandable since being able to be further away from the target obviously relieves a constraint on the pulses. We chose to compare execution times at 1e-4 of target fidelity for the GRAPE when comparin...
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[28]
Improvement of the GRAPE with the number of controls The GRAPE method gives better execution times according to the number of piece-wise amplitude steps it can use, though up to a limit. In all this article, we chose to compare execution times with 10(dim + 1) piece-wise amplitude steps for each controls, with dim being the dimension of the Hilbert space ...
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Two equivalent optimal control problems in the driftless case Let isu(d) denote the set of traceless Hermitian matrices of orderd. Assumption C.1(Target). Uf ∈SU(d), U f ̸=I Assumption C.2(Orthonormal control Hamiltonians). Hj ∈isu(d),Re Tr(H iHj) =δ i,j,1≤i, j≤m Assumption C.3(Lie algebra rank condition). Lie(iH 1, . . . ,iH m) =su(d). 26 Let us comment ...
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Differential of the end-point mapping and its adjoint operator In the framework of Problem (P M), the stateU: [0,1]→SU(d) solves a non-linear equation with feedback control determined byM∈isu(d). More precisely we are interested in the Cauchy problem U(0) =I, ˙U=−i mX j=1 Re Tr(U†HjU M)HjU, t∈(0,1).(C3) LetE: isu(d)→SU(d) denote the end-point mapping, def...
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andv 2 =y 2. Accordingly the gradient∇J(M) should be given by ∇J(M) = v1 2(y1 +M 2)v2 (C12) and it is straightforward to verify that the vector in Eq. (C12) obtained via the adjoint state method is, as expected, equal to the correct gradient whose coordinates are given by Eq. (C10). b. Proofs of the JVP and VJP expressions Proof of Lemma C.4 (JVP)...
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Optimization routine: natural gradient descent Consider Problem (PM). Instead of optimizing|P(M)|subject to the constraintE(M) = Uf, we simplify the problem by optimizing a functionalJ(M) =ℓ(E(M)) penalizing the 32 discrepancy to the targetU f. In other words, we look for aMthat is admissible for Problem (PM) but need not be time-optimal. However, this is...
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