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arXiv:2411.16396

Statistical inference for quantum singular models

Hiroshi Yano, Yota Maeda, Naoki Yamamoto

Published Nov 25, 2024• 1 citation
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Abstract

Deep learning has seen substantial achievements, with numerical and theoretical evidence suggesting that singularities of statistical models are considered a contributing factor to its performance. From this remarkable success of classical statistical models, it is naturally expected that quantum singular models will play a vital role in many quantum statistical tasks. However, while the theory of quantum statistical models in regular cases has been established, theoretical understanding of quantum singular models is still limited. To investigate the statistical properties of quantum singular models, we focus on two prominent tasks in quantum statistical inference: quantum state estimation and model selection. In particular, we base our study on classical singular learning theory and seek to extend it within the framework of Bayesian quantum state estimation. To this end, we define quantum generalization and training loss functions and give their asymptotic expansions through algebraic geometrical methods. The key idea of the proof is the introduction of a quantum analog of the likelihood function using classical shadows. Consequently, we construct an asymptotically unbiased estimator of the quantum generalization loss, the quantum widely applicable information criterion (QWAIC), as a computable model selection metric from given measurement outcomes.

DOI
10.48550/arxiv.2411.16396

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Deep learning has seen substantial achievements, with numerical and theoretical evidence suggesting that singularities of statistical models are considered a contributing factor to its performance. From this remarkable success of classical statistical models, it is naturally expected that quantum singular models will play a vital role in many quantum statistical tasks. However, while the theory of quantum statistical models in regular cases has been established, theoretical understanding of quantum singular models is still limited. To investigate the statistical properties of quantum singular models, we focus on two prominent tasks in quantum statistical inference: quantum state estimation and model selection. In particular, we base our study on classical singular learning theory and seek to extend it within the framework of Bayesian quantum state estimation. To this end, we define quantum generalization and training loss functions and give their asymptotic expansions through algebraic geometrical methods. The key idea of the proof is the introduction of a quantum analog of the likelihood function using classical shadows. Consequently, we construct an asymptotically unbiased estimator of the quantum generalization loss, the quantum widely applicable information criterion (QWAIC), as a computable model selection metric from given measurement outcomes.
Abstract Quantum state estimation (or state tomography) is an indispensable task in quantum information processing. Because full state tomography that determines all elements of the density matrix is computationally demanding, one usually takes the strategy of assuming a certain model of quantum states and identifying the model parameters. However, it is difficult to make a valid assumption given little prior knowledge on a quantum state of interest, and thus we need a reasonable model selection method for quantum state estimation. Actually, in the classical statistical estimation theory, several types of information criteria have been established and widely used in practice for appropriately choosing a classical statistical model. In this study, we propose quantum information criteria for evaluating the quality of the estimated quantum state in terms of the quantum relative entropy, which is a natural quantum analogue of the classical information criterion defined in terms of Kullback–Leibler divergence. In particular, we derive two quantum information criteria depending on the type of an estimator for the quantum relative entropy; one uses the log-likelihood and the other uses the classical shadow. The general role of information criteria is to predict the performance of an estimated model for unseen data, although it is a function of only sampled data; this generalization capability of the proposed quantum information criteria is evaluated in numerical simulations.
The astounding acceleration in Artificial Intelligence and Quantum Computing advances naturally gives rise to a line of research, which unrolls the potential advantages of quantum computing on classical Machine Learning tasks, known as Quantum Machine Learning or Quantum Machine Intelligence. The typical objectives are either (1) exploring the potential quantum advantages on classical learning tasks or (2) levering well-established classical ML algorithms to tackle quantum-related problems on Noisy Intermediate-Scale Quantum (NISQ) devices. Along the second research direction, we study Quantum Neural Networks (QNNs) to accomplish the purpose of Bayesian learning. By observing a wide range of studies on QNNs, in which the sole training method is based on frequentist training, we find that Bayesian learning benefits QNNs from two aspects. First, Bayesian-trained models enjoy a high level of generalization due to the prior and posterior distribution usage compared to frequentist training, which will be justified by this paper’s theoretical study of model capacity. Second, Bayesian Inference offers epistemic uncertainty estimation, which merits the decision-making process. It is worth mentioning that frequentist-trained QNNs generally lack this desirable property. Under the Bayesian training procedure, our derived models can be considered a new class of QNNs (called BayesianQNNs) which possesses both desirable properties of Bayesian Inference while maintaining comparable predictive performance as frequentist counterparts. The proposed Bayesian Quantum Neural Networks is justified by empirical evidence from numerical experiments.
In this thesis, I present several results on quantum statistical inference in the following two directions. Firstly, I demonstrate that quantum algorithms can be applied to enhance the computing and training of Gaussian processes (GPs), a powerful model widely used in classical statistical inference and supervised machine learning. A crucial component of the quantum GP algorithm is solving linear systems with quantum computers, for which I present a novel algorithm that achieves a provable advantage over previously known methods. I will also explicitly address the task of encoding the classical data into a quantum state for machine learning applications. I then apply the quantum enhanced GPs to Bayesian deep learning and present an experimental demonstration on contemporary hardware and simulators. Secondly, I look into the notion of quantum causality and apply it to inferring spatial and temporal quantum correlations, and present an analytical toolkit for causal inference in quantum data. I will also make the connection between causality and quantum communications, and present a general bound for the quantum capacity of noisy communication channels.
Learning tasks play an increasingly prominent role in quantum information and computation. They range from fundamental problems such as state discrimination and metrology over the framework of quantum probably approximately correct (PAC) learning, to the recently proposed shadow variants of state tomography. However, the many directions of quantum learning theory have so far evolved separately. We propose a general mathematical formalism for describing quantum learning by training on classical-quantum data and then testing how well the learned hypothesis generalizes to new data. In this framework, we prove bounds on the expected generalization error of a quantum learner in terms of classical and quantum information-theoretic quantities measuring how strongly the learner's hypothesis depends on the specific data seen during training. To achieve this, we use tools from quantum optimal transport and quantum concentration inequalities to establish non-commutative versions of decoupling lemmas that underlie recent information-theoretic generalization bounds for classical machine learning. Our framework encompasses and gives intuitively accessible generalization bounds for a variety of quantum learning scenarios such as quantum state discrimination, PAC learning quantum states, quantum parameter estimation, and quantumly PAC learning classical functions. Thereby, our work lays a foundation for a unifying quantum information-theoretic perspective on quantum learning.
Learning tasks play an increasingly prominent role in quantum information and computation. They range from fundamental problems such as state discrimination and metrology over the framework of quantum probably approximately correct (PAC) learning, to the recently proposed shadow variants of state tomography. However, the many directions of quantum learning theory have so far evolved separately. We propose a general mathematical formalism for describing quantum learning by training on classical-quantum data and then testing how well the learned hypothesis generalizes to new data. In this framework, we prove bounds on the expected generalization error of a quantum learner in terms of classical and quantum information-theoretic quantities measuring how strongly the learner's hypothesis depends on the specific data seen during training. To achieve this, we use tools from quantum optimal transport and quantum concentration inequalities to establish non-commutative versions of decoupling lemmas that underlie recent information-theoretic generalization bounds for classical machine learning. Our framework encompasses and gives intuitively accessible generalization bounds for a variety of quantum learning scenarios such as quantum state discrimination, PAC learning quantum states, quantum parameter estimation, and quantumly PAC learning classical functions. Thereby, our work lays a foundation for a unifying quantum information-theoretic perspective on quantum learning.
We introduce an end-to-end optimization strategy for quantum machine learning that directly targets performance under finite measurement resources, where learning objectives are defined directly at the level of task performance. The method is applied on a Bayesian quantum metrology task since it provides a natural testbed with known fundamental limits and scaling with system size. The sampling-aware hybrid algorithm achieves a single-shot risk within 1 dB of the -20 dB Bayesian limit using 32 qubits. We extend the Bayesian framework from parameter estimation to global function inference, where the task is to infer a target function of the sensor input drawn from an arbitrary prior, and we demonstrate a clear computational-sensing advantage for direct functional inference over indirect reconstruction. We relate the corresponding Bayesian risk to the Capacity metric and argue that the Resolvable Expressive Capacity provides a natural measure of the space of functions accessible in a single shot. The resulting eigentask analysis identifies noise-robust feature combinations that yield compact estimators with improved accuracy and reduced optimization cost in resource-limited or real-time on-device settings. Going beyond the irreducible statistical uncertainty associated with finite measurement records, we study implementation-induced distortions of the sensor response focusing on representative imperfections arising from readout errors and static coherent gate disorder. We show that when these imperfections are stationary across training and inference, end-to-end optimization can adapt the quantum circuit and classical estimator to the implemented hardware response, preserving high inference performance over a broad range of imperfection strengths.