arXiv subjects

John Golden

Publications and source records attributed to John Golden.

At least 19 recordsLinked to original sources

arXiv2026

Rotate Disks to Reach Farther: Design and Modeling of a Novel Reconfigurable Tendon Driven Manipulator

Rerouting the tendon path in tendon driven continuum manipulators (TDCMs) enables a broad range of deformation modes. This work presents a Reconfigurable TDCM design which allows independent rotation of intermediate spacer disks, thereby locally rerouting the tendon and achieving non-trivial backbone spatial deformations. Two such designs, (a) Manual Disk Locked (MDL) and (b) Continuous Disk Rotor (CDR) manipulators are presented to achieve disk rotations before and during operation, respectively. A predictive static model based on the piecewise constant strain (PCS) assumption is developed within a potential energy minimization framework, incorporating (a) disk rotations, (b) discrete tendon paths between disk segments, (c) rigid thickness of spacer disks, and (d) elasticity of the tendons. The model is validated against experimental results, demonstrating an average tip error of $1.2\%$ of the manipulator's total length for parallel tendon routing and around $3\%$ for the case when multiple disks are rotated. The computation time is an order of magnitude lower than the state of the art Cosserat rod solver.

cs.RO↗

arXiv2026

Fault tolerant computation of the static structure factor and finite size effects

Fault-tolerant quantum algorithms offer a promising pathway for estimating the ground-state energies of periodic materials that are beyond the practical reach of classical electronic-structure methods. A remaining challenge is finite-size mitigation: quantum algorithms evaluate a finite supercell or finite Brillouin-zone mesh, while materials properties are defined in the thermodynamic limit. In this work we develop a quantum post-processing strategy for the leading two-body finite-size correction. After one-body shell effects are reduced by twist averaging, the dominant residual error is controlled by long-wavelength density fluctuations, which are encoded in the small-momentum static structure factor $S(q)$. We formulate the corresponding operator in a Bloch-orbital basis, construct its block encoding through the density operator, and estimate its ground-state expectation value using an amplified Hadamard test. We also introduce adaptive global and local binary search procedures for identifying the infrared fitting window used to reconstruct the two-body finite size error correction. The resulting cost remains subleading relative to the main ground-state energy estimation routine: the structure-factor correction has leading $\tilde{O}(N_bN_k)^3$ dependence on the Bloch-orbital basis size, avoids the large plane-wave prefactor of full Hamiltonian simulation, and requires only $\tilde{O}(N_bN_k)$ logical qubits. This provides a fault-tolerant alternative to down-sampling, replacing repeated energy calculations on larger cells with targeted measurements of the infrared density correlations that control the finite-size effects.

quant-ph↗

arXiv2026

Actuation space reduction to facilitate insightful shape matching in a novel reconfigurable tendon driven continuum manipulator

In tendon driven continuum manipulators (TDCMs), reconfiguring the tendon routing enables tailored spatial deformation of the backbone. This work presents a design in which tendons can be rerouted either prior to or after actuation by actively rotating the individual spacer disks. Each disk rotation thus adds a degree of freedom to the actuation space, complicating the mapping from a desired backbone curve to the corresponding actuator inputs. However, when the backbone shape is projected into an intermediate space defined by curvature and torsion (C-T), patterns emerge that highlight which disks are most influential in achieving a global shape. This insight enables a simplified, sequential shape-matching strategy: first, the proximal and intermediate disks are rotated to approximate the global shape; then, the distal disks are adjusted to fine-tune the end-effector position with minimal impact on the overall shape. The proposed actuation framework offers a model-free alternative to conventional control approaches, bypassing the complexities of modeling reconfigurable TDCMs.

cs.RO↗

arXiv2026

Fault-tolerant simulation of the electronic structure using Projector Augmented-Waves and Bloch orbitals

Strongly correlated materials are a natural target for fault-tolerant quantum computers, but they require tools beyond those developed for molecules. Electronic wavefunctions vary rapidly near nuclei yet remain delocalized across many unit cells, and bulk properties must be converged systematically with respect to finite-size errors. To resolve such issues, we present the Bloch--UPAW framework that combines Bloch-orbital $k$-space structure with unitary projector-augmented-wave (UPAW) augmentation. The UPAW Hamiltonian, expressed directly in the Bloch basis, retains explicit control of Brillouin-zone sampling, and incorporates near-nuclear physics through strictly local on-site corrections. The construction is independent of the underlying one-particle representation, so it applies to both plane-wave and localized bases, and it handles supercells for symmetry-breaking phenomena more efficiently. We derive a linear-combination-of-unitaries decomposition and a block-encoding circuit suitable for qubitization; UPAW augmentation adds one ancilla qubit and no Toffoli gates at leading order relative to a Bloch-only block encoding. Asymptotically, the Toffoli cost scales as $\mathcal{O}(N_k^3)$ when refining the $k$-mesh and as $\mathcal{O}(N_a^{3.5})$ when enlarging the supercell, enabling convergence to be steered by the most favorable route for a given material. Resource estimates for bulk diamond show approximately an order-of-magnitude reduction in Toffoli count relative to prior work on periodic solids.

quant-ph↗

arXiv2025

Block encoding the 3D heterogeneous Poisson equation with application to fracture flow

Quantum linear system (QLS) algorithms offer the potential to solve large-scale linear systems exponentially faster than classical methods. However, applying QLS algorithms to real-world problems remains challenging due to issues such as state preparation, data loading, and efficient information extraction. In this work, we study the feasibility of applying QLS algorithms to solve discretized three-dimensional heterogeneous Poisson equations, with specific examples relating to groundwater flow through geologic fracture networks. We explicitly construct a block encoding for the 3D heterogeneous Poisson matrix by leveraging the sparse local structure of the discretized operator. While classical solvers benefit from preconditioning, we show that block encoding the system matrix and preconditioner separately does not improve the effective condition number that dominates the QLS runtime. This differs from classical approaches where the preconditioner and the system matrix can often be implemented independently. Nevertheless, due to the structure of the problem in three dimensions, the quantum algorithm achieves a runtime of $O(N^{2/3} \ \text{polylog } N \cdot \log(1/\epsilon))$, outperforming the best classical methods (with runtimes of $O(N \log N \cdot \log(1/\epsilon))$) and offering exponential memory savings. These results highlight both the promise and limitations of QLS algorithms for practical scientific computing, and point to effective condition number reduction as a key barrier in achieving quantum advantages.

quant-ph↗

arXiv2025

MPS-JuliQAOA: User-friendly, Scalable MPS-based Simulation for Quantum Optimization

We present the MPS-JuliQAOA simulator, a user-friendly, open-source tool to simulate the Quantum Approximate Optimization Algorithm (QAOA) of any optimization problem that can be expressed as diagonal Hamiltonian. By leveraging Julia-language constructs and the ITensor package to implement a Matrix Product State (MPS) approach to simulating QAOA, MPS-Juli-QAOA effortlessly scales to 512 qubits and 20 simulation rounds on the standard de-facto benchmark 3-regular MaxCut QAOA problem. MPS-JuliQAOA also has built-in parameter finding capabilities, which is a crucial performance aspect of QAOA. We illustrate through examples that the user does not need to know MPS principles or complex automatic differentiation techniques to use MPS-JuliQAOA. We study the scalability of our tool with respect to runtime, memory usage and accuracy tradeoffs. Code available at https://github.com/lanl/JuliQAOA.jl/tree/mps.

quant-ph↗

arXiv2024

Snapshot-QAOA: Extending QAOA to Quantum Hamiltonian Simulation

We present Snapshot-QAOA, a variation of the Quantum Approximate Optimization Algorithm (QAOA) that finds approximate minimum energy eigenstates of a large set of quantum Hamiltonians (i.e. Hamiltonians with non-diagonal terms). Traditionally, QAOA targets the task of approximately solving combinatorial optimization problems; Snapshot-QAOA enables a significant expansion of the use case space for QAOA to more general quantum Hamiltonians, where the goal is to approximate the ground-state. Such ground-state finding is a common challenge in quantum chemistry and material science applications. Snapshot-QAOA retains desirable variational-algorithm qualities of QAOA, in particular small parameter count and relatively shallow circuit depth. Snapshot-QAOA is thus a better trainable alternative to the NISQ-era Variational Quantum Eigensolver (VQE) algorithm, while retaining a significant circuit-depth advantage over the QEC-era Quantum Phase Estimation (QPE) algorithm. Our fundamental approach is inspired by the idea of Trotterization of a continuous-time linear adiabatic anneal schedule, which for sufficiently large QAOA depth gives very good performance. Snapshot-QAOA restricts the QAOA evolution to not phasing out the mixing Hamiltonian completely at the end of the evolution, instead evolving only a partial typical linear QAOA schedule, thus creating a type of snapshot of the typical QAOA evolution. As a test case, we simulate Snapshot-QAOA on a 16 qubit J1-J2 frustrated square transverse field Ising model with periodic boundary conditions.

quant-ph↗

arXiv2024

Trainability Barriers in Low-Depth QAOA Landscapes

The Quantum Alternating Operator Ansatz (QAOA) is a prominent variational quantum algorithm for solving combinatorial optimization problems. Its effectiveness depends on identifying input parameters that yield high-quality solutions. However, understanding the complexity of training QAOA remains an under-explored area. Previous results have given analytical performance guarantees for a small, fixed number of parameters. At the opposite end of the spectrum, barren plateaus are likely to emerge at $\Omega(n)$ parameters for $n$ qubits. In this work, we study the difficulty of training in the intermediate regime, which is the focus of most current numerical studies and near-term hardware implementations. Through extensive numerical analysis of the quality and quantity of local minima, we argue that QAOA landscapes can exhibit a superpolynomial growth in the number of low-quality local minima even when the number of parameters scales logarithmically with $n$. This means that the common technique of gradient descent from randomly initialized parameters is doomed to fail beyond small $n$, and emphasizes the need for good initial guesses of the optimal parameters.

quant-ph↗

arXiv2023

Hierarchical Multigrid Ansatz for Variational Quantum Algorithms

Quantum computing is an emerging topic in engineering that promises to enhance supercomputing using fundamental physics. In the near term, the best candidate algorithms for achieving this advantage are variational quantum algorithms (VQAs). We design and numerically evaluate a novel ansatz for VQAs, focusing in particular on the variational quantum eigensolver (VQE). As our ansatz is inspired by classical multigrid hierarchy methods, we call it "multigrid" ansatz. The multigrid ansatz creates a parameterized quantum circuit for a quantum problem on $n$ qubits by successively building and optimizing circuits for smaller qubit counts $j < n$, reusing optimized parameter values as initial solutions to next level hierarchy at $j+1$. We show through numerical simulation that the multigrid ansatz outperforms the standard hardware-efficient ansatz in terms of solution quality for the Laplacian eigensolver as well as for a large class of combinatorial optimization problems with specific examples for MaxCut and Maximum $k$-Satisfiability. Our studies establish the multi-grid ansatz as a viable candidate for many VQAs and in particular present a promising alternative to the QAOA approach for combinatorial optimization problems.

quant-ph↗

arXiv2023

JuliQAOA: Fast, Flexible QAOA Simulation

We introduce JuliQAOA, a simulation package specifically built for the Quantum Alternating Operator Ansatz (QAOA). JuliQAOA does not require a circuit-level description of QAOA problems, or another package to simulate such circuits, instead relying on a more direct linear algebra implementation. This allows for increased QAOA-specific performance improvements, as well as improved flexibility and generality. JuliQAOA is the first QAOA package designed to aid in the study of both constrained and unconstrained combinatorial optimization problems, and can easily include novel cost functions, mixer Hamiltonians, and other variations. JuliQAOA also includes robust and extensible methods for learning optimal angles. Written in the Julia language, JuliQAOA outperforms existing QAOA software packages and scales well to HPC-level resources. JuliQAOA is available at https://github.com/lanl/JuliQAOA.jl.

quant-ph↗

arXiv2023

Scaling Whole-Chip QAOA for Higher-Order Ising Spin Glass Models on Heavy-Hex Graphs

We show through numerical simulation that the Quantum Approximate Optimization Algorithm (QAOA) for higher-order, random-coefficient, heavy-hex compatible spin glass Ising models has strong parameter concentration across problem sizes from $16$ up to $127$ qubits for $p=1$ up to $p=5$, which allows for straight-forward transfer learning of QAOA angles on instance sizes where exhaustive grid-search is prohibitive even for $p>1$. We use Matrix Product State (MPS) simulation at different bond dimensions to obtain confidence in these results, and we obtain the optimal solutions to these combinatorial optimization problems using CPLEX. In order to assess the ability of current noisy quantum hardware to exploit such parameter concentration, we execute short-depth QAOA circuits (with a CNOT depth of 6 per $p$, resulting in circuits which contain $1420$ two qubit gates for $127$ qubit $p=5$ QAOA) on $100$ higher-order (cubic term) Ising models on IBM quantum superconducting processors with $16, 27, 127$ qubits using QAOA angles learned from a single $16$-qubit instance. We show that (i) the best quantum processors generally find lower energy solutions up to $p=3$ for 27 qubit systems and up to $p=2$ for 127 qubit systems and are overcome by noise at higher values of $p$, (ii) the best quantum processors find mean energies that are about a factor of two off from the noise-free numerical simulation results. Additional insights from our experiments are that large performance differences exist among different quantum processors even of the same generation and that dynamical decoupling significantly improve performance for some, but decrease performance for other quantum processors. Lastly we show $p=1$ QAOA angle mean energy landscapes computed using up to a $414$ qubit quantum computer, showing that the mean QAOA energy landscapes remain very similar as the problem size changes.

quant-ph↗

arXiv2023

Lower bounds on the number of rounds of the quantum approximate optimization algorithm required for guaranteed approximation ratios

The quantum approximate optimization algorithm, also known in its generalization as the quantum alternating operator ansatz, (QAOA) is a heuristic hybrid quantum-classical algorithm for finding high-quality approximate solutions to combinatorial optimization problems, such as maximum satisfiability. While the QAOA is well studied, theoretical results as to its runtime or approximation ratio guarantees are still relatively sparse. We provide some of the first lower bounds for the number of rounds (the dominant component of QAOA runtimes) required for the QAOA. For our main result, we (i) leverage a connection between quantum annealing times and the angles of the QAOA to derive a lower bound on the number of rounds of the QAOA with respect to the guaranteed approximation ratio. We apply and calculate this bound with Grover-style mixing unitaries and (ii) show that this type of QAOA requires at least a polynomial number of rounds to guarantee any constant approximation ratios for most problems. We also (iii) show that the bound depends only on the statistical values of the objective functions, and when the problem can be modeled as a $k$-local Hamiltonian, can be easily estimated from the coefficients of the Hamiltonians. For the conventional transverse-field mixer, (iv) our framework gives a trivial lower bound to all bounded-occurrence local cost problems and for all strictly $k$-local cost Hamiltonians matching known results that constant approximation ratio is obtainable with a constant-round QAOA for a few optimization problems from these classes. Using our proof framework, (v) we recover the Grover lower bound for unstructured search and, with small modification, show that our bound applies to any QAOA-style search protocol that starts in the ground state of the mixing unitaries.

quant-ph↗

arXiv2023

High-Round QAOA for MAX $k$-SAT on Trapped Ion NISQ Devices

The Quantum Alternating Operator Ansatz (QAOA) is a hybrid classical-quantum algorithm that aims to sample the optimal solution(s) of discrete combinatorial optimization problems. We present optimized QAOA circuit constructions for sampling MAX $k$-SAT problems, specifically for $k=3$ and $k=4$. The novel $4$-SAT QAOA circuit construction we present uses measurement based uncomputation, followed by classical feed forward conditional operations. The QAOA circuit parameters for $3$-SAT are optimized via exact classical (noise-free) simulation, using HPC resources to simulate up to $20$ rounds on $10$ qubits. In order to explore the limits of current NISQ devices we execute these optimized QAOA circuits for random $3$-SAT test instances with clause-to-variable ratio $4$ on four trapped ion quantum computers: Quantinuum H1-1 (20 qubits), IonQ Harmony (11 qubits), IonQ Aria 1 (25 qubits), and IonQ Forte (30 qubits). The QAOA circuits that are executed include $n=10$ up to $p=20$, and $n=22$ for $p=1$ and $p=2$. The high round circuits use upwards of 9,000 individual gate instructions, making these some of the largest QAOA circuits executed on NISQ devices. Our main finding is that current NISQ devices perform best at low round counts (i.e., $p = 1,\ldots, 5$) and then -- as expected due to noise -- gradually start returning satisfiability truth assignments that are no better than randomly picked solutions as the number of QAOA rounds are further increased.

quant-ph↗

arXiv2023

The Quantum Alternating Operator Ansatz for Satisfiability Problems

We comparatively study, through large-scale numerical simulation, the performance across a large set of Quantum Alternating Operator Ansatz (QAOA) implementations for finding approximate and optimum solutions to unconstrained combinatorial optimization problems. Our survey includes over 100 different mixing unitaries, and we combine each mixer with both the standard phase separator unitary representing the objective function and a thresholded version. Our numerical tests for randomly chosen instances of the unconstrained optimization problems Max 2-SAT and Max 3-SAT reveal that the traditional transverse-field mixer with the standard phase separator performs best for problem sizes of 8 through 14 variables, while the recently introduced Grover mixer with thresholding wins at problems of size 6. This result (i) corrects earlier work suggesting that the Grover mixer is a superior mixer based only on results from problems of size 6, thus illustrating the need to push numerical simulation to larger problem sizes to more accurately predict performance; and (ii) it suggests that more complicated mixers and phase separators may not improve QAOA performance.

quant-ph↗

arXiv2022

Quantum Computing and Preconditioners for Hydrological Linear Systems

Modeling hydrological fracture networks is a hallmark challenge in computational earth sciences. Accurately predicting critical features of fracture systems, e.g. percolation, can require solving large linear systems far beyond current or future high performance capabilities. Quantum computers can theoretically bypass the memory and speed constraints faced by classical approaches, however several technical issues must first be addressed. Chief amongst these difficulties is that such systems are often ill-conditioned, i.e. small changes in the system can produce large changes in the solution, which can slow down the performance of linear solving algorithms. We test several existing quantum techniques to improve the condition number, but find they are insufficient. We then introduce the inverse Laplacian preconditioner, which improves the scaling of the condition number of the system from $O(N)$ to $O(\sqrt{N})$ and admits a quantum implementation. These results are a critical first step in developing a quantum solver for fracture systems, both advancing the state of hydrological modeling and providing a novel real-world application for quantum linear systems algorithms.

physics.comp-ph↗

arXiv2022

Numerical Evidence for Exponential Speed-up of QAOA over Unstructured Search for Approximate Constrained Optimization

Despite much recent work, the true promise and limitations of the Quantum Alternating Operator Ansatz (QAOA) are unclear. A critical question regarding QAOA is to what extent its performance scales with the input size of the problem instance, in particular the necessary growth in the number of QAOA rounds to reach a high approximation ratio. We present numerical evidence for an exponential speed-up of QAOA over Grover-style unstructured search in finding approximate solutions to constrained optimization problems. Our result provides a strong hint that QAOA is able to exploit the structure of an optimization problem and thus overcome the lower bound for unstructured search. To this end, we conduct a comprehensive numerical study on several Hamming-weight constrained optimization problems for which we include combinations of all standardly studied mixer and phase separator Hamiltonians (Ring mixer, Clique mixer, Objective Value phase separator) as well as quantum minimum-finding inspired Hamiltonians (Grover mixer, Threshold-based phase separator). We identify Clique-Objective-QAOA with an exponential speed-up over Grover-Threshold-QAOA and tie the latter's scaling to that of unstructured search, with all other QAOA combinations coming in at a distant third. Our result suggests that maximizing QAOA performance requires a judicious choice of mixer and phase separator, and should trigger further research into other QAOA variations.

quant-ph↗

arXiv2021

Sampling on NISQ Devices: "Who's the Fairest One of All?"

Modern NISQ devices are subject to a variety of biases and sources of noise that degrade the solution quality of computations carried out on these devices. A natural question that arises in the NISQ era, is how fairly do these devices sample ground state solutions. To this end, we run five fair sampling problems (each with at least three ground state solutions) that are based both on quantum annealing and on the Grover Mixer-QAOA algorithm for gate-based NISQ hardware. In particular, we use seven IBM~Q devices, the Aspen-9 Rigetti device, the IonQ device, and three D-Wave quantum annealers. For each of the fair sampling problems, we measure the ground state probability, the relative fairness of the frequency of each ground state solution with respect to the other ground state solutions, and the aggregate error as given by each hardware provider. Overall, our results show that NISQ devices do not achieve fair sampling yet. We also observe differences in the software stack with a particular focus on compilation techniques that illustrate what work will still need to be done to achieve a seamless integration of frontend (i.e. quantum circuit description) and backend compilation.

quant-ph↗

arXiv2021

Threshold-Based Quantum Optimization

We propose and study Th-QAOA (pronounced Threshold QAOA), a variation of the Quantum Alternating Operator Ansatz (QAOA) that replaces the standard phase separator operator, which encodes the objective function, with a threshold function that returns a value $1$ for solutions with an objective value above the threshold and a $0$ otherwise. We vary the threshold value to arrive at a quantum optimization algorithm. We focus on a combination with the Grover Mixer operator; the resulting GM-Th-QAOA can be viewed as a generalization of Grover's quantum search algorithm and its minimum/maximum finding cousin to approximate optimization. Our main findings include: (i) we provide intuitive arguments and show empirically that the optimum parameter values of GM-Th-QAOA (angles and threshold value) can be found with $O(\log(p) \times \log M)$ iterations of the classical outer loop, where $p$ is the number of QAOA rounds and $M$ is an upper bound on the solution value (often the number of vertices or edges in an input graph), thus eliminating the notorious outer-loop parameter finding issue of other QAOA algorithms; (ii) GM-Th-QAOA can be simulated classically with little effort up to 100 qubits through a set of tricks that cut down memory requirements; (iii) somewhat surprisingly, GM-Th-QAOA outperforms non-thresholded GM-QAOA in terms of approximation ratios achieved. This third result holds across a range of optimization problems (MaxCut, Max k-VertexCover, Max k-DensestSubgraph, MaxBisection) and various experimental design parameters, such as different input edge densities and constraint sizes.

quant-ph↗