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Reuben Tate

Publications and source records attributed to Reuben Tate.

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SCALAR: A Neurosymbolic Framework for Automated Conjecture and Reasoning in Quantum Circuit Analysis

In this paper, we present SCALAR (Symbolic Conjecture and LLM-Assisted Reasoning), a neurosymbolic framework for automated conjecture generation in quantum circuit analysis built on top of the CUDA-Q open source framework. The system integrates quantum simulation, symbolic conjecture generation, and LLM-based interpretation. We evaluate SCALAR on 82 MaxCut instances from the MQLib benchmark dataset and extend the analysis to 2,000 randomly generated graphs across four topologies: regular, Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz. The framework generates conjectured bounds relating optimal QAOA parameters to graph invariants, including known relationships such as periodicity constraints on the phase separation parameter $\gamma$. SCALAR also recovers previously reported parameter transfer phenomena across structurally similar instances. Additionally, the system identifies correlations between graph structural features and optimization landscape properties, which we characterize through invariant-based descriptors. Using CUDA-Q tensor network simulator, we scale experiments to instances of up to 77 qubits. We discuss the accuracy, generality, and limitations of the generated conjectures, including sensitivity to graph class and quantum circuit depth.

quant-ph

Quantum Hypergraph Partitioning

Quantum optimization algorithms are inherently probabilistic, yet they are most often used to search for a single high-quality solution. In this paper, we instead study hypergraph partitioning problems in which the desired output is itself a probability distribution over partitions. We introduce a distributional perspective on hypergraph partitioning motivated by maximin and minimax objectives such as Fair Cut Cover, and we show how these objectives align naturally with the measurement distribution produced by QAOA. To motivate the formulation, we introduce a workforce-scheduling-inspired toy problem, the Greatest Expected Imbalance problem, in which the goal is to minimize the worst expected imbalance across hyperedges. We then develop QAOA-based quantum solvers that represent distributional solutions natively through quantum states, together with quadratic hypergraph objectives suitable for standard and multi-objective QAOA. These formulations connect balanced hypergraph partitioning, polarized community discovery, and distributional fairness under a unified quantum optimization framework. For comparison, we provide optimal polynomial-time classical approximation algorithms based on semidefinite programming and hyperplane rounding. Experiments on real-world and synthetic hypergraphs demonstrate that low-depth multi-angle QAOA can outperform these classical approximation baselines on the proposed objectives, highlighting the potential of quantum algorithms for optimization problems where the solution is a distribution rather than a single partition.

quant-ph

The Quantum Hamiltonian Analysis Toolkit: Lowering the Barrier to Quantum Computing with Hamiltonians

We present the Quantum Hamiltonian Analysis Toolkit (QHAT), a newly developed application that provides a user-friendly interface for studying Hamiltonians and performing Hamiltonian simulation on fault-tolerant quantum computers. QHAT enables the generation and analysis of Hamiltonians through a powerful and feature-rich application, driven by simple inputs designed to reflect user needs rather than algorithmic details, so that productive research on your application of interest can be done without needing a deep understanding of quantum computing algorithms. QHAT enables a streamlined workflow to analyze Hamiltonians and Hamiltonian simulation, supporting multiple choices of algorithms and analyses. It supports Hamiltonians from multiple sources but can also generate Hamiltonians based on a simple description of the system, saving intermediate data files for re-use when generating related Hamiltonians. Deriving the parameters for quantum computing algorithms can be a challenge, so QHAT is built around user-facing concepts such as maximum allowable error, rather than being built around algorithmic details such as steps counts or order parameters. An emphasis on user-friendly interfaces and efficient analysis means that the barrier to entry is low while rapidly providing results useful for a broad scope of studies.

quant-ph

Structure-Aware Transformers for Learning Near-Optimal Trotter Orderings with System-Size Generalization in 1D Heisenberg Hamiltonians

Trotterization is a standard approach for simulating quantum time evolution on quantum computers, where the Hamiltonian is split into local terms and each term is applied in sequence. The order of these terms affects the fidelity of the simulation when they do not commute, so the choice of ordering directly impacts the accuracy of the simulation. We study this problem for one-dimensional XXZ Heisenberg Hamiltonians using a structured set of 24 candidate orderings derived from colorings of the Hamiltonian's commutation graph and their group permutations. Finding the best candidate for large systems becomes prohibitive because fidelity evaluation is computationally expensive. In this work, we train a transformer encoder on smaller systems to predict the best candidate ordering for larger systems directly from Hamiltonian and Trotter-configuration features, without computing candidate fidelities at inference time. The model is trained on in-range systems of 3 to 14 qubits with 15-qubit systems held out for validation. Experimental results show that the model reaches a mean test fidelity gap of 0.00115 relative to the best of the 24 candidates on out-of-range systems of 16 to 20 qubits. A training-size sweep further shows that generalization emerges once training includes systems up to L=8 qubits, with validation at L=9, and the gap continues to decrease as the training range grows. To our knowledge, this is the first application of a learned model to Trotter ordering, and it motivates future work on AI-guided Trotter ordering with generalization across Hamiltonian families and system types.

quant-ph

An Analysis of Commutation-Based Trotter Ordering Strategies on Heisenberg-Style Hamiltonians

Trotterization is a technique that allows one to approximate a time evolution of a Hamiltonian by repeatedly evolving the individual terms of the Hamiltonian one-at-a-time for small time durations. Bounds on the error of this approximation exist; however, they are typically loose and moreover, it is known that the true error can be greatly influenced by the order in which the terms of the Hamiltonian are evolved. In this work, we consider various ordering strategies that exploit the commutation structure of the Hamiltonian, in addition to a few other baseline ordering strategies. These commutation-based strategies involve dividing the terms of the Hamiltonian into groups where all the terms within each group commute with one another. These groupings can be obtained by using graph coloring techniques on what we call the "commutation graph" of the Hamiltonian. We prove various results regarding the structure and properties of such commutation graphs for certain classes of Hamiltonians. We also empirically calculate the (true) Trotter error using these ordering strategies on various 1D and 2D Heisenberg-style systems.

quant-ph

Learning Cut Distributions with Quantum Optimization

Many combinatorial optimization problems admit a maximin fairness variant, where the aim is to find a distribution over possible solutions which maximizes an expected worst-case outcome. However, the support for an optimal distribution may be exponential, which can be intractable to represent in the worst case. To this end, we propose a quantum based approach to solving distribution optimization problems. Expanding on work analyzing the Dynamical Lie Algebras of the Quantum Approximate Optimization Algorithm (QAOA), we show that with a finite number of layers, a QAOA ansatz can be constructed to capture any distribution over bitstrings. We show that the resulting circuit is able to effectively solve the Fair Cut Cover, a fair interpretation of the classical Fractional Cut Cover Problem. In addition, we show that our algorithm is provably better than classical approximations on certain graph structures and empirically outperforms these classical algorithms on tested instances.

quant-ph

Comparison of Hyperplane Rounding for Max-Cut and Quantum Approximate Optimization Algorithm over Certain Regular Graph Families

There is a strong interest in finding challenging instances of NP-hard problems, from the perspective of showing quantum advantage. Due to the limits of near-term NISQ devices, it is moreover useful if these instances are small. In this work, we identify two graph families ($|V|<1000$) on which the Goemans-Williamson algorithm for approximating the Max-Cut achieves at most a 0.912-approximation. We further show that, in comparison, a recent quantum algorithm, Quantum Approximate Optimization Algorithm (depth $p=1$), is a 0.592-approximation on Karloff instances in the limit ($n \to \infty$), and is at best a $0.894$-approximation on a family of strongly-regular graphs. We further explore construction of challenging instances computationally by perturbing edge weights, which may be of independent interest, and include these in the CI-QuBe github repository.

quant-ph

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

Solving General QUBOs with Warm-Start QAOA via a Reduction to Max-Cut

The Quantum Approximate Optimization Algorithm (QAOA) is a quantum algorithm that finds approximate solutions to problems in combinatorial optimization, especially those that can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) problem. In prior work, researchers have considered various ways of "warm-starting" QAOA by constructing an initial quantum state using classically-obtained solutions or information; these warm-starts typically cause QAOA to yield better approximation ratios at much lower circuit depths. For the Max-Cut problem, one warm-start approaches constructs the initial state using the high-dimensional vectors that are output from an SDP relaxation of the corresponding Max-Cut problem. This work leverages these semidefinite warmstarts for a broader class of problem instances by using a standard reduction that transforms any QUBO instance into a Max-Cut instance. We empirically compare this approach to a "QUBO-relaxation" approach that relaxes the QUBO directly. Our results consider a variety of QUBO instances ranging from randomly generated QUBOs to QUBOs corresponding to specific problems such as the traveling salesman problem, maximum independent set, and portfolio optimization. We find that the best choice of warmstart approach is strongly dependent on the problem type.

quant-ph

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

Phantom Edges in the Problem Hamiltonian: A Method for Increasing Performance and Graph Visibility for QAOA

The Quantum Approximate Optimization Algorithm (QAOA) is a variational quantum algorithm that can be used to approximately solve combinatorial optimization problems. However, a major limitation of QAOA is that it is a "local" algorithm for finite circuit depths, meaning it can only optimize over local properties of the graph. In this paper, we present Phantom-QAOA, a new QAOA ansatz that introduces only one additional parameter to the standard ansatz -- regardless of system size -- allowing QAOA to "see" more of the graph at a given depth $p$. We achieve this by modifying the target graph to include additional $\alpha$-weighted edges, with $\alpha$ serving as a tunable parameter. This modified graph is then used to construct the phase operator and allows QAOA to explore a wider range of the graph's features. We derive a general formula for our new ansatz at $p=1$ and analytically show an improvement in the approximation ratio for cycle graphs. We also provide numerical experiments that demonstrate significant improvements in the approximation ratio for the Max-Cut problem over the standard QAOA ansatz for $p=1$ and $p=2$ on random regular graphs up to 16 nodes.

quant-ph

Expected Maximin Fairness in Max-Cut and other Combinatorial Optimization Problems

Maximin fairness is the ideal that the worst-off group (or individual) should be treated as well as possible. Literature on maximin fairness in various decision-making settings has grown in recent years, but theoretical results are sparse. In this paper, we explore the challenges inherent to maximin fairness in combinatorial optimization. We begin by showing that (1) optimal maximin-fair solutions are bounded by non-maximin-fair optimal solutions, and (2) stochastic maximin-fair solutions exceed their deterministic counterparts in expectation for a broad class of combinatorial optimization problems. In the remainder of the paper, we use the special case of Max-Cut to demonstrate challenges in defining and implementing maximin fairness.

cs.DS

Warm-Started QAOA with Aligned Mixers Converges Slowly Near the Poles of the Bloch Sphere

In order to boost the performance of the Quantum Approximate Optimization Algorithm (QAOA) to solve problems in combinatorial optimization, researchers have leveraged the solutions returned from classical algorithms in order to create a warm-started quantum initial state for QAOA that is biased towards "good" solutions. Cain et al. showed that if the classically-obtained solutions are mapped to the poles of the Bloch sphere, then vanilla QAOA with the standard mixer "gets stuck". If the classically-obtained solution is instead mapped to within some angle $\theta$ from the poles of the Bloch sphere, creating an initial product state, then QAOA with optimal variational parameters is known to converge to the optimal solution with increased circuit depth if the mixer is modified to be "aligned" with the warm-start initial state. Leveraging recent work of Benchasattabuse et al., we provide theoretical lower bounds on the circuit depth necessary for this form of warm-started QAOA to achieve a desired change $\Delta \lambda$ in approximation ratio; in particular, we show that for small $\theta$, the lower bound on the circuit depth roughly scales proportionally with $\Delta \lambda/\theta$.

quant-ph

The Better Solution Probability Metric: Optimizing QAOA to Outperform its Warm-Start Solution

This paper presents a numerical simulation investigation of the Warm-Start Quantum Approximate Optimization Algorithm (QAOA) as proposed by Tate et al. [1], focusing on its application to 3-regular Max-Cut problems. Our study demonstrates that Warm-Start QAOA consistently outperforms theoretical lower bounds on approximation ratios across various tilt angles, highlighting its potential in practical scenarios beyond worst-case predictions. Despite these improvements, Warm-Start QAOA with traditional parameters optimized for expectation value does not exceed the performance of the initial classical solution. To address this, we introduce an alternative parameter optimization objective, the Better Solution Probability (BSP) metric. Our results show that BSP-optimized Warm-Start QAOA identifies solutions at non-trivial tilt angles that are better than even the best classically found warm-start solutions with non-vanishing probabilities. These findings underscore the importance of both theoretical and empirical analyses in refining QAOA and exploring its potential for quantum advantage.

quant-ph

Theoretical Approximation Ratios for Warm-Started QAOA on 3-Regular Max-Cut Instances at Depth $p=1$

We generalize Farhi et al.'s 0.6924-approximation result technique of the Max-Cut Quantum Approximate Optimization Algorithm (QAOA) on 3-regular graphs to obtain provable lower bounds on the approximation ratio for warm-started QAOA. Given an initialization angle $\theta$, we consider warm-starts where the initial state is a product state where each qubit position is angle $\theta$ away from either the north or south pole of the Bloch sphere; of the two possible qubit positions the position of each qubit is decided by some classically obtained cut encoded as a bitstring $b$. We illustrate through plots how the properties of $b$ and the initialization angle $\theta$ influence the bound on the approximation ratios of warm-started QAOA. We consider various classical algorithms (and the cuts they produce which we use to generate the warm-start). Our results strongly suggest that there does not exist any choice of initialization angle that yields a (worst-case) approximation ratio that simultaneously beats standard QAOA and the classical algorithm used to create the warm-start. Additionally, we show that at $\theta=60^\circ$, warm-started QAOA is able to (effectively) recover the cut used to generate the warm-start, thus suggesting that in practice, this value could be a promising starting angle to explore alternate solutions in a heuristic fashion.

quant-ph

Warm-Started QAOA with Custom Mixers Provably Converges and Computationally Beats Goemans-Williamson's Max-Cut at Low Circuit Depths

We generalize the Quantum Approximate Optimization Algorithm (QAOA) of Farhi et al. (2014) to allow for arbitrary separable initial states with corresponding mixers such that the starting state is the most excited state of the mixing Hamiltonian. We demonstrate this version of QAOA, which we call QAOA-warmest, by simulating Max-Cut on weighted graphs. We initialize the starting state as a warm-start using $2$ and $3$-dimensional approximations obtained using randomized projections of solutions to Max-Cut's semi-definite program, and define a warm-start dependent custom mixer. We show that these warm-starts initialize the QAOA circuit with constant-factor approximations of $0.658$ for $2$-dimensional and $0.585$ for $3$-dimensional warm-starts for graphs with non-negative edge weights, improving upon previously known trivial (i.e., $0.5$ for standard initialization) worst-case bounds at $p=0$. These factors in fact lower bound the approximation achieved for Max-Cut at higher circuit depths, since we also show that QAOA-warmest with any separable initial state converges to Max-Cut under the adiabatic limit as $p\rightarrow \infty$. However, the choice of warm-starts significantly impacts the rate of convergence to Max-Cut, and we show empirically that our warm-starts achieve a faster convergence compared to existing approaches. Additionally, our numerical simulations show higher quality cuts compared to standard QAOA, the classical Goemans-Williamson algorithm, and a warm-started QAOA without custom mixers for an instance library of $1148$ graphs (upto $11$ nodes) and depth $p=8$. We further show that QAOA-warmest outperforms the standard QAOA of Farhi et al. in experiments on current IBM-Q and Quantinuum hardware.

quant-ph

Bridging Classical and Quantum with SDP initialized warm-starts for QAOA

We study the Quantum Approximate Optimization Algorithm (QAOA) in the context of the Max-Cut problem. Near-term (noisy) quantum devices are only able to (accurately) execute QAOA at low circuit depths while QAOA requires a relatively high circuit-depth in order to "see" the whole graph. We introduce a classical pre-processing step that initializes QAOA with a biased superposition of all possible cuts in the graph, referred to as a warm-start. In particular, our initialization informs QAOA by a solution to a low-rank semidefinite programming relaxation of the Max-Cut problem. Our experimental results show that this variant of QAOA, called QAOA-Warm, is able to outperform standard QAOA on lower circuit depths with less training time (in the optimization stage for QAOA's variational parameters). We provide experimental evidence as well as theoretical intuition on performance of the proposed framework.

quant-ph

On the set of catenary degrees of finitely generated cancellative commutative monoids

The catenary degree of an element $n$ of a cancellative commutative monoid $S$ is a nonnegative integer measuring the distance between the irreducible factorizations of $n$. The catenary degree of the monoid $S$, defined as the supremum over all catenary degrees occurring in $S$, has been heavily studied as an invariant of nonunique factorization. In this paper, we investigate the set $\mathsf C(S)$ of catenary degrees achieved by elements of $S$ as a factorization invariant, focusing on the case where $S$ in finitely generated (where $\mathsf C(S)$ is known to be finite). Answering an open question posed by Garc\'ia-S\'anchez, we provide a method to compute the smallest nonzero element of $\mathsf C(S)$ that parallels a well-known method of computing the maximum value. We also give several examples demonstrating certain extremal behavior for $\mathsf C(S)$, and present some open questions for further study.

math.AC