The Inference Report

High Performance Computing (HPC) and Quantum Computing (QC) systems are increasingly converging towards unified High Performance Computing-Quantum Computing (HPCQC) infrastructures, driven by a growing need to bridge classical and quantum workflows, which affects all levels of the system stack, from the hardware to compilers and runtimes, all the way to applications. However, today's QC devices are still in the Noisy Intermediate-Scale Quantum (NISQ) era, are error-prone and resource-limited, and therefore require specialized optimizations and topology mappings to achieve sufficient fidelity. This places special emphasis on proper compilation and optimization within the overall quantum software stack. Many existing stacks remain fragmented, with separate components responsible for device selection, compiler-pass optimization, and job queue scheduling. This paper proposes a unified, learning-based selector that integrates these disparate stages into a cohesive framework. Our proposed selector scheme leverages reinforcement learning and deep learning models that can be extended to simultaneously optimize multiple objectives -- such as fidelity, compilation time, and scheduling latency -- while dynamically adapting to circuit characteristics and device conditions.

Future quantum networks will make use of entanglement to perform numerous tasks, such as sending quantum information over long distances, distributed quantum computing, and quantum sensing. In general, these tasks will need to be performed simultaneously in various regions of a network, while minimizing resources and latency. We will thus require policies for scheduling link-level entanglement resources, and using the link-level entanglement to create various forms of multipartite entanglement required for every task. In this work, we address this problem using reinforcement learning. We formulate a Markov Decision Process for the problem and use double deep Q-networks (DQN) with Message Passing Neural Networks (MPNNs), experience replay buffers, and curriculum training to obtain policies. The key physical parameter is the probability of link-level entanglement generation, i.e., the link activation probability. We show that our policies maintain 100% success for up to 71% lower link activation probability than the baseline heuristics for a set of physically relevant network topologies. We then examine an additional constraint where experiment (task) placements are restricted to specific hardware types and demonstrate a similar advantage in performance over heuristics, with our policy maintaining at least an 80% success rate for up to a 59% lower link activation probability. Finally, we explore methods to interpret the learned policy by defining metrics enabling conclusions to be drawn about the model's behavior and by tasking a large language model (LLM) to derive a novel heuristic given example actions taken by the DQN-trained policy. We find that the LLM heuristic performs similarly to the DQN-trained policy in performance, indicating a promising method for interpretable policy extraction for large quantum networks, where direct training becomes computationally expensive.

Score matching has driven major advances in classical generative learning by enabling models to learn from data without evaluating intractable normalization constants, or partition functions. Yet, extending this principle to quantum learning requires rethinking its foundations, as quantum states are described by noncommuting density operators rather than scalar probabilities. The noncommutativity creates fundamental challenges not only in defining quantum scores, but also in developing a training framework with efficient circuit implementations and rigorous theoretical guarantees. In this work, we bridge this gap by establishing a general quantum score-matching framework with end-to-end theoretical guarantees. Applied to Gibbs-state learning, our approach avoids additional thermal-state preparation and achieves information-theoretically optimal sample complexity in the high-temperature regime for Hamiltonians with bounded locality and interaction degree. This positions score matching as a new route to state-of-the-art performance in learning quantum Gibbs states. Beyond these theoretical results, numerical simulations show that our method remains effective even when gradients are estimated inaccurately under limited measurement budgets. Experiments on IBM quantum hardware further demonstrate that quantum score matching is NISQ-friendly: without any error mitigation or correction, it reduces the relative Hamiltonian-parameter error from 64% to approximately 10%. Together, these results extend score matching into an experimentally realizable paradigm for quantum-state learning.

Recursive state estimation often executes approximate numerical solutions inside a feedback loop, where highly accurate local steps do not guarantee better overall results. For a fixed linear Kalman model, we characterize when a correction within a prescribed subspace and norm budget can meet a local admissibility tolerance, and how the defects actually executed affect the finite-horizon covariance response. Centering each defect on the exact gain for the implemented covariance separates current solve error from inherited gain drift. Expanding the exact residual-drift identity reveals opposing quartic contributions beyond the quadratic response: innovation-covariance inflation enters positively, while local-gain reoptimization enters subtractively. Under matched initialization, an absolute sixth-order remainder bound, uniform over bounded defect sequences at fixed horizon, gives sufficient conditions for quadratic under- or overprediction. Machine learning proposes bounded corrections, while a learner-independent residual certificate and verified fallback govern execution of classical and quantum candidates without changing the reference estimator. In a power-grid tolerance study, learned correction lowers the minimum conjugate-gradient iteration count for deployment without fallback relative to uncorrected solves under the same residual certificate. Gains reconstructed from a variational quantum linear solver and from an annealing-based binary encoding, with small-scale terminal measurements on superconducting hardware and sampling on a quantum annealer, are executed through the same interface. By linking local repairability to nonlinear error propagation, the framework evaluates approximate solvers and learned corrections through independent certification and finite-horizon response, providing a practical basis for studying hybrid quantum--classical computation.

This thesis studies the intersection of quantum computing and artificial intelligence in two directions: quantum methods for machine learning and machine learning methods for quantum systems. For quantum machine learning, Neural Quantum Embedding learns data representations that increase the trace distance between embedded class ensembles, lowering an embedding-dependent bound on empirical risk and improving classification on noisy quantum hardware. A training objective based on the Hilbert-Schmidt inner product extends this approach to deterministic quantum computation with one qubit (DQC1) and is demonstrated on an NMR quantum processor. A margin-based generalization analysis then connects quantum neural network performance to quantum state discrimination. In the studied benchmarks, margin distributions predict generalization more reliably than parameter-count metrics. For quantum systems, a Mamba-based neural decoder for surface codes matches a reproduced Transformer baseline in memory experiments while reducing inference-cost scaling from quartic to quadratic in code distance. Under an explicit decoder-induced-noise model, it achieves lower logical error rates and a higher effective threshold. For neural quantum states, stochastic reconfiguration is interpreted as tangent-space ridge regression, with its diagonal shift controlling the bias-variance trade-off under finite Monte Carlo sampling. Multi-shift stochastic reconfiguration reduces checkpoint-local validation residuals and update variance relative to fixed-shift SR, at additional computational cost. Together, these contributions show how learned representations, statistical control, and hardware constraints shape the exchange between quantum computing and machine learning.

We construct the first type of non-Euclidean non-autoregressive neural quantum state (NQS) in the form of the hyperbolic Restricted Boltzmann Machine (HRBM), which is studied in the variational Monte-Carlo (VMC) setting of the Quantum Sherrington-Kirkpatrick (QSK) model whose ground state exhibits volume-law entanglement. Across a 512-fold increase in the Hilbert space dimension corresponding to a system size increase from $N=14$ to $N=24$, HRBM NQS robustly outperforms its Euclidean version, the RBM NQS, in terms of better ground state energy optimization as well as lower Renyi-2 $S_2$ and von Neumann $S_{vN}$ absolute entanglement entropy reconstruction errors. More importantly, for all QSK system sizes, HRBM NQS demonstrates a superior expressivity in faithfully reproducing the entire entanglement spectrum of the QSK model from the top eigenvalues down to the tail end across 15 orders of magnitude, while RBM NQS consistently overestimates the sub-dominant modes. This work furnishes a proof-of-concept demonstrating that hyperbolic non-autoregressive NQS ansatzë, thanks to the exponential volume of the hyperbolic geometry underlying their constructions, might be more natural at representing volume-law quantum systems than conventional Euclidean NQS. Furthermore, an interesting byproduct of this work is the polynomial scaling result of RBM-type NQS ansatzë in the QSK volume-law system as the Hilbert space increases exponentially.