Quantum Circuit Simulation

Near-term quantum natural language processing (QNLP) experiments often run on classical simulators, so simulator cost is part of the field's practical compute burden, yet accuracy tables do not show it. We measure that cost for a variational quantum classifier (VQC) on binary SST-2 sentiment classification, using PennyLane's state-vector simulator over a controlled grid of 27 configurations: three balanced training-set sizes (N = 200, 500, 1000), three qubit counts (4, 6, 8), and three circuit depths. Each VQC is compared with logistic regression on the same PCA-reduced input; full TF-IDF logistic regression gives an uncompressed reference. The VQC beats its matched baseline in 6 of 27 single-seed comparisons. After reruns at two further seeds, only 1 of these 6 keeps a positive mean advantage larger than its paired seed-to-seed variability, and paired tests on the fixed validation set do not establish it. VQC training is 886-21,127 times slower in measured wall-clock time than the matched classical fit (median 3,158 times); going from 4 to 8 qubits roughly doubles simulator time, and within the tested range per-step cost is well approximated by a linear function of the parameter count. CodeCarbon energy and CO2 estimates are secondary: they imply an almost constant power of about 41 W, so they add little beyond runtime, and we do not build an energy ratio from them. The study is narrow (one dataset, representation, ansatz, simulator, and CPU environment) and is a reproducible feasibility measurement, not a general verdict on QNLP.

We introduce QC-Stark, a benchmark for evaluating large language models (LLMs) on 11 quantum computing (QC) tasks, spanning circuit construction, debugging, compilation, error correction, and simulation. Across 2,750 evaluations (10 models $\times$ 11 tasks x 5 difficulty levels x 5 seeds), we find that overall rankings mask substantial per-task variation. The Spearman correlation between overall and per-task rankings is statistically insignificant for 4 out of the 11 tasks included in this benchmark. A 2-parameter Item Response Theory (IRT) model validates measurement quality, and prompt sensitivity analysis confirms ranking robustness across prompt conditions. All tasks are auto-verifiable via execution, thus not requiring any manual evaluation. We make the code and data publicly available on Huggingface.

Classical simulation remains essential for developing and validating quantum algorithms, but its cost grows rapidly with circuit size. Tensor-network contraction can reduce this cost by exploiting circuit structure, although its efficiency depends strongly on the chosen contraction plan. On GPUs, plans with similar theoretical complexity may perform very differently because execution also depends on parallelism, reduction structure, memory traffic, and contraction geometry. We present a learning-to-rank framework for selecting efficient contraction plans before executing them. Each plan is represented by structural features derived directly from its sequence of pairwise contractions, and gradient-boosted rankers are trained from GPU measurements using listwise and pairwise objectives. We evaluate the resulting models on diverse circuit families, using separate in-distribution and circuit-family-shift test sets, and compare them with random and MinFill-based baselines. The learned rankers generally identify better plans, with the listwise model providing the strongest overall decision quality. We also study backend shift by comparing empirical plan orderings on two GPU architectures and evaluating the source-trained models on the second device without retraining. The rankings remain substantially, though not perfectly, stable across GPUs, and the models retain useful decision quality. These results support Learning to Rank as a practical way to reduce contraction-plan search, while showing that performance remains partly backend dependent.

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.

Recent work suggests that relational database management systems (RDBMSs) can execute quantum circuit simulation by compiling the simulation into SQL workloads (primarily join-and-aggregate tensor contractions). While early results are promising, they largely focus on a narrow set of highly structured circuits and offer limited support for systematic database research, such as query optimization, physical design, and engine-level evaluation across a broad range of circuits. We present InferQ, a database-oriented benchmark for quantum circuit simulation. InferQ generates general, compositional circuits by assembling subcircuits from a set of circuit templates, emits each simulation task as an RDBMS-ready SQL workload, and extracts circuit and query features (static, graph, SQL, and dynamic) for workload characterization. InferQ also releases a large dataset of 202,975 circuits online, with a web-based viewer to support searching, filtering, and downloading circuits and feature records. In experiments across RDBMS engines (PostgreSQL, SQLite, DuckDB, and Umbra) and the widely used Qiskit Aer simulator, we find that RDBMSs achieve better peak memory usage than Qiskit Aer on more than 50% of the circuits generated by InferQ. Moreover, using InferQ features, lightweight machine learning models (linear and tree-based models) can accurately predict when SQL execution is preferable (with accuracy up to 95.6% for runtime and 97.4% for memory), enabling data-centric simulator selection and opening the door to principled optimization of SQL-based quantum circuit simulation.

Variational quantum circuits have been central to many proposed near-term applications of quantum computing, but a growing body of evidence suggests that trainability and quantum advantage are fundamentally at odds: ansätze expressive enough to resist efficient classical simulation tend to exhibit barren plateaus, while structures that provably rule out barren plateaus typically render them classically simulable. We propose a stacked linear combination of unitaries (S-LCU) as a variational ansatz which provides a tunable trade-off between barren plateaus and classical simulability. Using a diagrammatic analysis, we bound the loss-landscape variance of the Free Fermion S-LCU, whose elements are fermionic Gaussian unitaries. We prove a variance lower bound of $Ω(1/(n k^{3l}))$, with a simulation cost of $O(k^{2l} n^3)$ using the best known classical algorithm, compared to a quantum gate complexity of only $O(lkn^2)$. The number of layers $l$ serves as a single dial that trades computational complexity against the rate of cost concentration. This offers practitioners a systematic method for constructing ansätze with a complexity-trainability trade-off that best suits their application and hardware.

Circuit cutting promises to scale quantum computations beyond current hardware, but variational quantum advantage also requires low cutting overhead, classical hardness, and trainability. We show that these properties are strongly constrained by entanglement geometry. Matrix product state (MPS) and tree tensor network (TTN) circuits with constant seam bond dimension can be cut with $O(1/\varepsilon^2)$ sampling overhead, but remain efficiently classically simulable, ruling out asymptotic quantum advantage within these families. By independently controlling seam and intra-block entanglement, we construct a two-block circuit family that remains cheaply cuttable while requiring a super-polynomial global MPS bond dimension, as supported numerically up to $n=100$. However, MPS hardness and trainability require incompatible depth regimes, $d=ω(\log n)$ and $d=O(\log n)$, respectively. Using magic rather than entanglement as the hardness resource avoids this conflict: shallow Clifford+$T$ circuits remain cuttable and trainable while their stabiliser-simulation cost grows exponentially with the $T$-count.

Hybrid quantum-classical machine learning workflows repeatedly evaluate many small parametrized circuits during training and model exploration. In this regime, framework dispatch and orchestration overhead often dominate runtime. Prior simulators accelerate execution but leave open the question of when compile-once specialization is the right choice for static variational circuits. We answer this question with VQCSim, a compile-once, PyTorch-native statevector execution path with native autograd. In a systematic MQT Bench study, VQCSim compiles all tested static circuits and provides 87.7% end-to-end semantic validation. Across a five-GPU evaluation set, VQCSim delivers pooled median speedups of 4.49x for native inference and 26.78x for native training, while retaining a 3.31x advantage under matched finite-difference training. Ablation identifies native autograd as the dominant source of acceleration (27.6x), with compile-once caching and batch vectorization contributing additional gains. The speedup trades higher GPU memory (VQCSim is memory-limited at the high end) for lower runtime. We derive a hardware-aware regime map and release vqcsim-oracle, an open-source backend selector with 91.1%-97.7% top-1 agreement (including cross-GPU transfers), enabling automatic simulator selection in QML design loops.

This work presents a study of an implementation of a novel Quantum Convolutional Neural Network (QCNN) for binary classification of images from the Modified National Institute of Standards and Technology (MNIST) dataset. Using a novel architecture inspired by previous QCNN and classical convolutional neural network (CNN) implementations, we use a hierarchical partitioning approach to implement a QCNN circuit that can be approximated and simulated efficiently on a classical machine for a large problem. First, the original image is partitioned such that each process handles a smaller portion of the image, which is encoded into independent states. Then, these partitions merge and combine, resulting in states that contain information from both partitions while halving the number of processes. After repeating this until one process remains, we reduce the dimensionality of the state until a single qubit remains for measurement. Using this approach, we can use multiple processes in parallel to simulate a large QCNN program without the need for exponentially growing hardware requirements as the number of qubits increases. In our work, we use this scheme to train a 128-qubit model, which is impossible to run on any classical supercomputer without the novel architecture. We also explore the impact of this new model architecture on prediction accuracy by training it to perform binary classification on the MNIST dataset with a small number of qubits, and comparing it to a model without partitioning. Our initial findings show that partitioning images into smaller sub-images with this architecture does not degrade the model's performance and sometimes even improves it, likely because it reduces the Barren plateaus issue in the partitioning process.

Large language models (LLMs) exhibit abilities beyond natural language modelling and text generation. Recent advances in their reasoning capabilities have spurred interest in applying LLMs to complex scientific tasks requiring deep domain expertise and sophisticated reasoning. Quantum computing, as a highly specialised field with significant knowledge barriers and hardware constraints, could greatly benefit from such advancements. However, a key open question that first must be answered is: How can we develop fine-tuning pipelines that instil genuine quantum reasoning in LLMs, rather than task-specific pattern matching? We study this question through quantum circuit simulation as a training objective, where the model must predict the measurement probability distribution resulting from a sequence of quantum gate operations. We propose and compare two fine-tuning pipelines: (1) Supervised Fine-Tuning (SFT) on explicit gate-by-gate state-vector simulation traces, and (2) a two-stage SFT+Group Relative Policy Optimisation (GRPO) approach that sequentially applies SFT followed by GRPO with verifiable rewards. Our findings show that SFT achieves near-perfect in-distribution and gate-count extrapolation accuracy, significantly outperforming both the base model and the GPT-OSS-120B baseline. SFT+GRPO trades some in-distribution precision for better generalisation to larger qubit systems that SFT alone cannot handle. Both pipelines significantly outperform the baselines, demonstrating that targeted fine-tuning on explicit reasoning traces is an effective strategy for advancing quantum reasoning in LLMs.

Approximate tensor-network simulators enable classical simulation of quantum circuits beyond the reach of exact methods, but selecting optimal approximation parameters -- such as bond dimension thresholds -- remains a costly trial-and-error process. We present a family-aware neural architecture that predicts both the minimum approximation threshold required to achieve target fidelity and the expected wall-clock runtime for quantum circuit simulation, given only the circuit's OpenQASM description and execution context. Our key insight is that quantum circuits from different algorithmic families (e.g., QFT, Grover, VQE) exhibit fundamentally distinct simulation cost profiles due to their differing entanglement structures. We employ family-conditioned residual corrections -- additive, family-specific adjustments atop a shared backbone, drawing on established conditional computation techniques -- enabling the model to capture both universal circuit properties and algorithmic nuances. The architecture incorporates a pretrained family classifier (97.5% accuracy) and domain-informed algorithm fingerprint features derived from gate-composition heuristics. Evaluated on circuits spanning 7--130 qubits across 10 algorithm families, our system achieves 79.5% exact threshold accuracy (91.2% within one rung) and $R^2 = 0.82$ runtime correlation, with inference completing in approximately 50 ms -- replacing trial-and-error simulation runs that may take minutes to hours. Ablation studies confirm that family-aware modeling provides the single largest performance improvement (+3.2 percentage points), validating the hypothesis that algorithm family is a first-class feature for simulation cost prediction.