Quantum Approximate Optimization Algorithm

Exact QAOA simulation spans several computational representations whose useful regions differ sharply across graph structure, circuit depth, precision, and available memory. Choosing only a backend name hides these differences: an executable choice also fixes the representation, adapter, precision mode, and memory policy. We introduce RASP-QAOA, a per-instance selector over ten such actions. It first removes actions that cannot implement the requested QAOA semantics or execution requirements, then orders the remaining actions using instance features; actions outside learned support are handled by analytical work estimates. On a content-disjoint 60-request H200 evaluation, RASP-QAOA succeeds on all 31 requests for which at least one admissible action completes and validates. Within this set it reaches 27/31 top-1 and 31/31 top-2 selection, with 1.051 geometric-mean regret. Its failure-penalized PAR10 score is 0.0396 times that of development-selected CUAOA (95% interval: 0.0085-0.1644). A separate 30-request crossover shows that graph structure changes 16 decisions and improves the paired penalized score, while a depth-1 stump matches gradient boosting. The evidence supports resource-aware representation selection at n <= 35, p <= 5, with gains driven by representation features rather than classifier complexity.

QAOA training repeatedly queries an objective and all shared gradients, making exact evaluation a feasibility bottleneck even when QUBO terms have bounded causal cones. Building on established causal-cone restriction and adjoint differentiation, LC-Implicit-QAOA profiles cone structure and induced-edge counts before local-amplitude and named-workspace allocation, then jointly selects equal-size microbatches and checkpoint schedules under a named active-evaluator workspace budget. "Implicit" means omitting both global state and global cost table, not implicit differentiation; infeasible requests are rejected before those allocations. An independently implemented complex128/float64 dense adjoint agrees with LC over 1,800 graph-angle comparisons, with a worst relative gradient error of 1.56 x 10^-13. LC completes all 104 target requests in a p=2 bounded-cone grid; under a prespecified n <= 24 validation cap, the matched state-plus-cost reference is executed for 28 requests and deliberately not run on 76. Across 80 budgeted requests, measured allocated evaluator memory stays within budget, reaching at most 0.797 of it. On 3-regular n=512, p=2, the adjoint reaches the same finite-budget endpoint in 101 objective-equivalent calls and 189 s, versus 909 calls and 1,565 s for central differences. LC targets fixed-depth one- and two-local diagonal QUBO costs with a transverse-field mixer; it provides neither global states, sampling, nor a hardware-independent fastest-backend rule.

The dynamical Lie algebraic (DLA) theory of variational quantum algorithms (VQAs) predicts commonplace exponentially vanishing loss and gradient variances for sufficiently deep parametrized circuits. In this work, we show that these predictions fail dramatically in the shallow-circuit (and particularly constant-depth) regime for the Quantum Approximate Optimization Algorithm (QAOA) applied to the maximum independent set (MIS) problem. In a large-scale numerical study across $\sim$23,000 problem instances, we find that barren plateaus are rare, while landscapes whose variances polynomially increase with system size---which we term "cragged terrains"---are common across graph families. This aggregate polynomial growth persists both for generic, low-symmetry random graphs and for highly symmetric vertex-transitive graphs, indicating that DLA-based variance predictions do not describe landscape scaling in this regime. As a stopgap alternative to the theory, we train empirical hardness models to predict instance-wise hardness metrics for QAOA-MIS. While these models generalize poorly, they nonetheless recover the correct landscape scaling class (barren plateau vs. cragged terrain) with high fidelity. Taken together, our results identify shallow QAOA for MIS as a prototypical setting in which asymptotic, unitary-design-centric predictions may be fundamentally insufficient to describe shallow variational quantum algorithms more broadly, emphasizing the need for more empirically-informed models of VQA loss landscapes.

While combinatorial optimization problems are central to many scientific and engineering applications, their solution remains challenging due to exponentially large search spaces. Variational quantum algorithms offer a promising route for tackling such problems, yet their practical performance is limited by repeated quantum circuit evaluations and classical parameter updates. In this work, we introduce DQAOA-GPT, a hybrid framework that integrates the distributed quantum approximate optimization algorithm (DQAOA), which decomposes a large optimization problem into smaller sub-problems, with GPT-based quantum circuit generation for solving those sub-problems. Rather than relying on iterative variational optimization, the proposed approach uses a trained generative model to directly generate high-quality quantum circuits for the decomposed sub-problems. As a benchmark, we evaluate DQAOA-GPT against conventional DQAOA on dense HUBO optimization problems with up to 100 decision variables. The results demonstrate that DQAOA-GPT significantly reduces computational cost while maintaining competitive solution quality, with larger acceleration observed for larger sub-problem sizes. Although this work focuses on benchmark-scale validation, the framework provides a promising foundation for larger-scale combinatorial optimization in hybrid HPC-QC environments through increased GPU resources and parallel computing capability.

Molecular docking predicts how a small molecule binds to a protein and is a key bottleneck in drug discovery. Classical scoring functions sum empirical pairwise contacts, blind to quantum-mechanical effects like orbital charge transfer that govern binding specificity. We introduce Q-Score, encoding GNN-predicted orbital donor-acceptor energies into a weighted graph and scoring binding by solving a maximum-weight vertex clique problem via Digitized-Counterdiabatic QAOA. Each interaction anchor maps to one qubit and compatibility constraints become edges. Across 11 protein targets, DC-QAOA recovers the exact optimum on 8 at 10 qubits. On 1000 AI-generated molecules, Q-Score is orthogonal to classical scoring with Spearman rho of 0.05, driven by orbital quality with rho of 0.90, and free of molecular-weight bias, enriching for strong orbital interactions at twice the random rate. DC-QAOA achieves a mean approximation ratio of 0.94 with 52 percent exact. Execution of 1000 circuits on IBM Eagle confirms 6-qubit solvability on NISQ hardware.

Multiplex CRISPR-Cas9 gene editing requires selecting one guide RNA per target gene subject to cross-gene interactions: a constrained combinatorial problem that can be formulated as a Quadratic Unconstrained Binary Optimization (QUBO) and solved via the Quantum Approximate Optimization Algorithm (QAOA). The one-hot per-gene constraint is conventionally enforced by adding quadratic penalty terms to the cost Hamiltonian, but penalty coefficient selection is heuristic and penalties amplify hardware noise. An alternative is to enforce the constraint structurally via the XY-mixer, which preserves feasibility by construction. We present COMET, a systematic comparison of penalty-based and XY-mixer QAOA on a three-gene, twelve-qubit multiplex editing instance targeting the immune-checkpoint genes PDCD1, LAG3, and HAVCR2. In simulation, the XY-mixer exceeds 95% probability of the optimum by QAOA depth p=3, while three penalty variants spanning an order of magnitude in penalty coefficient remain below 6% at every depth. On IBM's ibm_kingston (Heron r2) processor, the XY-mixer's simulator-hardware energy gap stays within |0.8| across all depths, while the worst-tuned penalty variant's gap reaches +53.9. We provide an honest account of where the structural guarantee partially breaks under gate-level noise. The twelve-qubit instance is classically trivial; our contribution is a methodological comparison of constraint-enforcement strategies in a biologically motivated domain, with real-hardware validation.

We report a machine-verified resolution of a problem open for over a decade in quantum optimization: the Farhi, Goldstone and Gutmann (FGG) conjecture that depth-$p$ Quantum Approximate Optimization Algorithm (QAOA) on the ring of disagrees attains approximation ratio $(2p+1)/(2p+2)$ exactly. We found the proof using a large language model, Claude Fable 5, and verified its correctness end-to-end by the Lean 4 proof assistant. Our methodology includes several ingredients: building on a substantial Lean library of quantum information, we formalized the QAOA components and the known parts of the problem, and reduced the conjecture to a single open mathematical statement. The model was then handed the library and our agentic toolkit, and tasked with closing that gap by constructing a proof in Lean. The resulting process is a feedback loop between the model's natural-language reasoning and Lean's mechanical verification, which converged to a machine-verified proof. Human verification is required only for the structural scaffolding - that the formal statement faithfully encodes the intended claim - while the proof itself is supplied by the model and certified mechanically by Lean. The proof is nevertheless striking - the model uncovered a hidden dynamical symmetry of the problem and exploited it, borrowing tools and machinery from an adjacent field to turn a hard existence problem into an explicit construction. This work paves the way for resolving open conjectures in quantum information science and beyond.

The Quantum Approximate Optimization Algorithm (QAOA) is a leading variational algorithm for combinatorial optimization on near term quantum devices. As circuit depth increases, the number of optimization parameters grows, making the search landscape increasingly nonlinear and difficult to optimize. Previous studies have shown that optimal QAOA parameters often lie on a low dimensional manifold that can be approximated using Principal Component Analysis (PCA) at shallow circuit depths. However, the effectiveness of PCA decreases at higher depths because the underlying parameter manifold becomes increasingly nonlinear. In this work, we investigate Kernel Principal Component Analysis (KPCA) with a radial basis function kernel as a nonlinear dimensionality reduction technique for QAOA parameter optimization. The model is trained using 200 graphs from each of 3 graph families, namely Erdos-Renyi, Barabasi-Albert, and Watts-Strogatz, with graph sizes ranging from 7 to 10 nodes. Performance is evaluated on 30 test graphs containing 12 nodes at circuit depths 1, 2, 4, and 8. Experimental results demonstrate that KPCA consistently outperforms PCA at deeper circuit depths across all graph families. At depth 8, KPCA achieves approximation ratios above 0.86, while PCA declines to approximately 0.81 to 0.83. Both methods reduce the number of quantum circuit evaluations by more than 93 percent relative to unrestricted QAOA optimization. These findings suggest that nonlinear kernel methods more effectively capture the structure of the QAOA parameter manifold and provide a practical approach for scaling variational quantum optimization to deeper circuits.

As multi-drone fleets scale, zone assignment rapidly evolves into an intractable NP-hard combinatorial problem that overwhelms classical exhaustive search. While quantum optimization promises to shatter these classical bottlenecks, mapping complex spatial tasks from human intent to restricted quantum hardware remains a severe challenge. To bridge this gap, we present an end-to-end framework integrating a fine-tuned Large Language Model (LLM) front-end with a highly scalable, domain-specific quantum-classical backend. The front-end utilizes Supervised Fine-Tuning (SFT) and Direct Preference Optimization (DPO) to translate free-form natural language instructions into structurally robust Quadratic Unconstrained Binary Optimization (QUBO) constraints without false negatives. To overcome the strict qubit limits of near-term quantum devices, our framework features a novel constraint-preserving graph partitioner and a compressed separator-based dynamic programming (DP) merge. By structurally encoding constraints via W-state initialization and XY-mixers in Conditional Value-at-Risk Quantum Approximate Optimization (CVaR-QAOA), the pipeline stays highly compact. Empirical results demonstrate that this architecture circumvents classical scaling walls, recovering the global optimum on 100% of idealized oracle cases and 96.3% under real QAOA sampling, enabling natural-language-guided task allocation at previously intractable scales.

Training parameterised quantum circuits (PQCs) on quantum hardware is bottlenecked by the measurement cost of gradient estimation, which under the parameter-shift rule scales linearly in the number of trainable parameters and dominates the total shot budget of training at scale. In this work, we propose a framework of forward gradient estimators for PQCs, based on the forward mode of automatic differentiation, that yields an unbiased estimator of the gradient by averaging a freely tunable number of random directional derivatives and recovers SPSA, random coordinate descent, and the parameter-shift rule as limiting cases, with no ancilla qubits or controlled-gate overhead. We prove that stochastic quantum forward gradient descent converges under standard assumptions, with an explicit second-moment expansion that interpolates between the single-direction extreme of SPSA and the full-gradient extreme of parameter-shift. Within this framework we derive QUIVER (Quantum Iterative V-adaptive Estimator Rule), an adaptive optimiser for parameterised circuits whose update rule follows from a closed-form minimum measurement-cost allocation. We show numerically that forward gradients train Hamming-weight-preserving orthogonal quantum neural networks with up to 60 qubits and 1770 parameters on the ECG5000 and MNIST datasets orders of magnitude more efficiently than the parameter-shift rule. We also demonstrate that our proposed QUIVER optimiser can outperform iCANS and gCANS measurement-frugal optimisers on optimisation problems using the quantum approximate optimisation algorithm and quantum simulation with the variational quantum eigensolver.

Quantum combinatorial optimization offers theoretical advantages for complex financial modeling, but physical implementation on Noisy Intermediate Scale Quantum (NISQ) devices is severely constrained by hardware topology. This study presents a hardware benchmarking analysis between a Hardware Efficient Variational Quantum Neural Network (HE-VQNN) and the Warm Start Quantum Approximate Optimization Algorithm (WS-QAOA) for a hybrid Mean Variance and Conditional Value at Risk (CVaR) portfolio objective. By implementing a novel classical quantum hybrid proxy matrix to bypass the CVaR auxiliary qubit bottleneck, we map up to 16 assets from the NIFTY 50 index onto an IBM heavy hex processor. We systematically quantify algorithmic resilience to the "SWAP tax" incurred during routing. Empirical results reveal a critical operational trade-off: WS-QAOA provides exact theoretical mapping but suffers catastrophic hardware decoherence due to exponential nonlocal gate overhead. Conversely, HE-VQNN preserves hardware coherence but lacks the mathematical expressibility to capture dense tail risk asset correlations. This study exposes the limitations of dense financial optimization on current architectures forces an nonviable choice between algorithmic inexpressibility and hardware decoherence. This is indicative of a deeper limitation as to what can and cannot be done with NISQ computers lacking in all-to-all connectivity.

The $2 \rightarrow q$ norm of a matrix $X \in \mathbb{R}^{n \times d}$ is defined as $\lVert X \rVert_{2 \rightarrow q} = \sup_{\lVert v \rVert_2 = 1} \lVert Xv \rVert_q$. We give polynomial-time multiplicative approximation algorithms for this norm when $q > 2$ (i.e. in the hypercontractive setting). This problem either directly captures or is closely related to long-standing open problems in combinatorial optimization and hardness of approximation (e.g. Small Set Expansion), quantum information (e.g. Best Separable State), and algorithmic statistics. Very little is known about what approximation factors we can achieve for this problem in polynomial time, even though such approximations have significant downstream consequences. Barak, Brandão, Harrow, Kelner, Steurer, and Zhou showed that no polynomial-time algorithm can achieve an approximation factor better than $2^{\sqrt{\log n}}$, assuming the Exponential Time Hypothesis (FOCS'12). On the other hand, a simple spectral algorithm gives a $d^{1/4}$-approximation as a baseline. We give, to the best of our knowledge, the first polynomial-time approximation algorithm beating this baseline by polynomial factors. For the important special case of $q = 4$ it achieves a $d^{1/8}$-approximation. All previous algorithms required additional assumptions on $X$, or only surpassed the baseline for small values of $n$. Moreover, we construct sum-of-squares certificates for the $2 \rightarrow q$ norm. This directly implies improved algorithms for robust mean and covariance estimation, robust regression, and clustering, when the data only satisfies a bound on its $q$-th moment.

The quantum approximate optimization algorithm (QAOA) holds promise for combinatorial optimization but is constrained by limited qubits. While divide-and-conquer frameworks like QAOA$^{2}$ address scalability by partitioning graphs into subgraphs, existing methods suffer from two fundamental limitations: i) misalignment between heuristic partitioning metrics and quantum optimization goals, and ii) topology-blind parameter initialization that leads to optimization cold starts. To bridge these gaps, we propose Neural QAOA$^{2}$, an end-to-end differentiable framework that jointly generates graph partitions and initial parameters. By integrating a generative evaluative network (GEN), our method utilizes a differentiable quantum evaluator as a high-fidelity performance surrogate to provide direct gradient guidance, enabling the joint generator to learn the intrinsic mapping from graph topology to high-quality partition and parameter configurations. Extensive experiments on 183 QUBO, Ising, and MaxCut instances (21 to 1000 variables) demonstrate that our gradient-driven approach broadly outperforms heuristic baselines, ranking first on 101 instances. It exhibits zero-shot generalization across out-of-distribution graph topologies and scales.

Contextual combinatorial optimization (CCO) plays a critical role in decision-making under uncertainty, yet remains a significant challenge. We present Quantum End-to-End Learning (QEL), the first quantum computing-based end-to-end learning framework for CCO that leverages Quantum Approximate Optimization Algorithms. Inspired by the integration of state preparation and evolution in data re-uploading, we propose a context re-uploading phase-separator that jointly captures the complex relations among contexts, uncertain coefficients, and optimal solutions. This allows a contextual encoder to be seamlessly integrated within a quantum surrogate policy, enabling joint end-to-end training with a stationarity guarantee. Exploiting an optimization-aware structure grounded in physical principles that classical methods cannot readily leverage, our approach demonstrates practicality by directly training on task loss despite the discreteness and nonconvexity, while avoiding calls to NP-hard optimization solvers. QEL empirically achieves competitive performance while requiring substantially fewer parameters than classical benchmarks, highlighting its industrial-level potential for the future quantum era.

Feedback-based adaptive quantum optimization (FALQON) is a promising approach for solving combinatorial problems on noisy intermediate-scale quantum (NISQ) devices, requiring only single circuit evaluations per layer. However, standard FALQON relies on fixed hyperparameters that severely limit convergence speed, requiring hundreds to thousands of layers for acceptable solutions. This paper proposes Optimal FALQON, an optimization-based formulation that treats the per-layer time step ($δ_k$) and scaling factor ($M_k$) as decision variables optimized via classical methods. We present a comprehensive empirical study on all 94 non-isomorphic 3-regular graphs with 12 vertices, comparing Optimal FALQON with standard FALQON and multiple QAOA variants. Results demonstrate statistically significant improvements in success probability, evaluation efficiency, and depth-normalized cost across the evaluated benchmarks. Furthermore, initializing QAOA with parameters from Optimal FALQON yields superior warm-start performance compared to fixed initialization.

To overcome the limitations of classical partially connected Boltzmann machines and mainstream quantum Boltzmann machines (QBMs), this work extends the conventional circuit of the quantum approximate optimization algorithm (QAOA) to a bilevel optimization architecture and proposes a fully connected QBM. The inner-loop training simulates positive phase energy minimization based on the computational process of the conventional QAOA circuit, whereas the outer-loop training simulates negative phase contrastive divergence learning by optimizing the structural parameters of the target Hamiltonian. It is found that, first, the model exhibits superior performance using only a single layer (p=1) in the QAOA circuit, with an average probability of 0.9559 in measuring the target quantum state under noiseless conditions. Second, the model exhibits notable noise robustness. Under the typical noise level of current mainstream commercial quantum computing devices, the average probability of measuring the target quantum state reaches 0.6047; when the noise rises to a more stringent level with doubled intensity, this probability remains at 0.3859. In both scenarios, the target quantum state maintains the highest measurement probability among all detected states, with a value several times higher than that of the second-ranked state. This indicates that the model retains strong robustness even when noise meets or exceeds the upper limit of current mainstream commercial quantum computing devices. Third, under a block-by-block learning strategy with p=1 and only 10 measurement shots, the model consistently generates the target "qubit" grid image regardless of noise interference, demonstrating strong robustness in image generation.

Vehicle Routing Problem (VRP) is one of the most complex NP-hard combinatorial optimization problem in transportation and logistics that requires a dynamic solution approach. In this paper we present a new hybrid approach that combines the Quantum Approximate Optimization Algorithm (QAOA) into the QRL policy network, instead of the usual variational layers, QAOA mixing and cost Hamiltonian layers. This enhancement enables the agent to exploit problem specific particular quantum correlations when learning policies, and so richer exploration of the routing solution space. The QAOA-augmented QRL framework shows quicker convergence in training and can tackle larger VRP instances that are beyond the reach of Grover's Adaptive Search (GAS) and Quantum Reinforcement Learning (QRL) approaches. Experiments on standard VRP instances demonstrate better solutions, fewer episodes to converge and good memory usage on near term quantum hardware simulators. These findings demonstrate QAOA- integrated QRL as a viable approach to scalable, high quality quantum-assisted combinatorial optimization.

In low-depth implementations of the Quantum Approximate Optimization Algorithm (QAOA), the dominant cost is often the number of objective evaluations rather than circuit depth. We introduce a graph-conditioned trust-region method for reducing this query cost. A graph neural network predicts a Gaussian distribution N(mu, Sigma) over QAOA angles. The mean initializes a local optimizer, the covariance defines an ellipsoidal trust region that constrains the search, and the predicted uncertainty determines an instance-dependent evaluation budget. Thus the learned distribution defines a search policy rather than only an initial parameter estimate. Under explicit assumptions on local smoothness, curvature, calibration, and noise, we derive bounds on objective degradation within the trust region, lower bounds on gradient variance, preservation of expected objective ordering under depolarizing noise, and finite-sample coverage guarantees. We evaluate the method for MaxCut at depth p = 2 on Erdos-Renyi, 3-regular, Barabasi-Albert, and Watts-Strogatz graphs with n = 8-16 vertices. Relative to random restarts and the strongest learned point-prediction baseline, the method reduces the mean number of circuit evaluations from 343 and 85 to 45 +/- 7, while maintaining sampled approximation ratios within 3 percentage points of concentration-based heuristics. The method does not improve absolute approximation ratios; its advantage is reduced query cost at comparable solution quality. The predictive uncertainty is calibrated in the experiments, with ECE = 0.052 and Spearman correlation rho = 0.770, and the learned trust regions transfer to graph sizes not used during training. The results identify a low-depth, query-dominated regime in which graph-conditioned trust regions reduce the query cost of QAOA without modifying the ansatz.