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Physica Scripta

Quantum algorithm for Markov random fields structure learning

Liming Zhao, Ming-Xing Luo, Lin‐Chun Wan

Published Jun 26, 2025• 1 citation
Publisher

Abstract

Abstract Probabilistic graphical models play a crucial role in machine learning and have wide applications across various fields. A pivotal subset within this realm is undirected graphical models, also known as Markov random fields. In this work, we explore the application of quantum computing to the field of machine learning, specifically focusing on the task of structure learning in Markov random fields. We propose a quantum algorithm for structure learning of an r-wise Markov Random Field with a bounded degree underlying graph, based on a nearly optimal classical greedy algorithm. Our quantum algorithm provides a polynomial speed-up over the classical counterpart, with a runtime of O ˜ 2 L M n r + 1 log ( 1 / w ) compared to the classical O ˜ M n r , where n is the number of variables. It is nearly a quadratic speedup in terms of n. Through this research, we aim to showcase the potential advantages of quantum computation in tackling complex machine-learning problems. Furthermore, the sample complexity O ˜ 2 2 L τ 2 δ 2 L ( log ( 1 / w ) + log n ) remains consistent between classical and quantum approaches, ensuring the efficiency and robustness of our method. By demonstrating the efficiency and scalability of our quantum algorithm for structure learning, we contribute to the growing body of work that highlights the role of quantum computing in advancing the field of machine learning and probabilistic graphical models.

DOI
10.1088/1402-4896/ade8b5

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Abstract Probabilistic graphical models play a crucial role in machine learning and have wide applications across various fields. A pivotal subset within this realm is undirected graphical models, also known as Markov random fields. In this work, we explore the application of quantum computing to the field of machine learning, specifically focusing on the task of structure learning in Markov random fields. We propose a quantum algorithm for structure learning of an r-wise Markov Random Field with a bounded degree underlying graph, based on a nearly optimal classical greedy algorithm. Our quantum algorithm provides a polynomial speed-up over the classical counterpart, with a runtime of O ˜ 2 L M n r + 1 log ( 1 / w ) compared to the classical O ˜ M n r , where n is the number of variables. It is nearly a quadratic speedup in terms of n. Through this research, we aim to showcase the potential advantages of quantum computation in tackling complex machine-learning problems. Furthermore, the sample complexity O ˜ 2 2 L τ 2 δ 2 L ( log ( 1 / w ) + log n ) remains consistent between classical and quantum approaches, ensuring the efficiency and robustness of our method. By demonstrating the efficiency and scalability of our quantum algorithm for structure learning, we contribute to the growing body of work that highlights the role of quantum computing in advancing the field of machine learning and probabilistic graphical models.
Markov random fields (MRFs) appear in many problems in machine learning and statistics. From a computational learning theory point of view, a natural problem of learning MRFs arises: given samples from an MRF from a restricted class, learn the structure of the MRF, that is the neighbors of each node of the underlying graph. In this work, we start at a known near-optimal classical algorithm for this learning problem and develop a modified classical algorithm. This classical algorithm retains the run time and guarantee of the previous algorithm and enables the use of quantum subroutines. Adapting a previous quantum algorithm, the Quantum Sparsitron, we provide a polynomial quantum speedup in terms of the number of variables for learning the structure of an MRF, if the MRF has bounded degree.
A central task in the field of quantum computing is to find applications where quantum computer could provide exponential speedup over any classical computer. Machine learning represents an important field with broad applications where quantum computer may offer significant speedup. Several quantum algorithms for discriminative machine learning have been found based on efficient solving of linear algebraic problems, with potential exponential speedup in runtime under the assumption of effective input from a quantum random access memory. In machine learning, generative models represent another large class which is widely used for both supervised and unsupervised learning. Here, we propose an efficient quantum algorithm for machine learning based on a quantum generative model. We prove that our proposed model is exponentially more powerful to represent probability distributions compared with classical generative models and has exponential speedup in training and inference at least for some instances under a reasonable assumption in computational complexity theory. Our result opens a new direction for quantum machine learning and offers a remarkable example in which a quantum algorithm shows exponential improvement over any classical algorithm in an important application field.
Abstract Leveraging the intrinsic probabilistic nature of quantum systems, generative quantum machine learning (QML) offers the potential to outperform classical learning models. Current generative QML algorithms mostly rely on general-purpose models that, while being very expressive, face several training challenges. One potential way to address these setbacks is by constructing problem-informed models that are capable of more efficient training on structured problems. In particular, probabilistic graphical models provide a flexible framework for representing structure in generative learning problems and can thus be exploited to incorporate inductive bias into QML algorithms. In this work, we propose a problem-informed quantum circuit Born machine Ansatz for learning the joint probability distribution of random variables, with independence relations efficiently represented by a Markov network (MN). We further demonstrate the applicability of the MN framework in constructing generative learning benchmarks and compare our model’s performance to previous designs, showing that it outperforms problem-agnostic circuits. Based on a preliminary analysis of trainability, we narrow down the class of MNs to those exhibiting favourable trainability properties. Finally, we discuss the potential of our model to offer quantum advantage in the context of generative learning, and present a practical scenario demonstrating the scalability of the approach.
Quantum Entangled Learning (QEL) offers a novel approach to machine learning, leveraging quantum entanglement to enhance learning efficiency and generalization ability. This paper proposes a new probabilistic structure optimization framework for QEL, focusing on the dynamic adjustment of entanglement patterns to adapt to varying data types and task specifications. We demonstrate the framework's effectiveness through a series of simulations and experiments, showcasing improved learning speed and robustness across diverse datasets. The core mechanism involves integrating probability logic with a customizable entanglement model, enabling tailored optimization strategies. The resulting system exhibits superior performance compared to existing methods, representing a significant advancement in the application of quantum principles to machine learning.
This dissertation presents a study of quantum algorithms for problems that can be posed as matrix function tasks. In Chapter 1 we demonstrate a simple unifying framework for implementing of smooth functions of matrices on a quantum computer. This framework captures a variety of problems that can be solved by evaluating properties of some function of a matrix, and we identify speedups over classical algorithms for some problem classes. The analysis combines ideas from the classical theory of function approximation with the quantum algorithmic primitive of implementing linear combinations of unitary operators. In Chapter 2 we continue this study by looking at the role of sparsity of input matrices in constructing efficient quantum algorithms. We show that classically pre-processing an input matrix by spectral sparsification can be profitable for quantum Hamiltonian simulation algorithms, without compromising the simulation error or complexity. Such preprocessing incurs a one time cost linear in the size of the matrix, but can be exploited to exponentially speed up subsequent subroutines such as inversion. In Chapter 3, we give an application of this theory of matrix functions to the problem of estimating the Renyi entropy of an unknown quantum state. We combine matrix function techniques with mixed state quantum computation in the one-clean qubit model, and are able to bound of the expected runtime of our algorithm in terms of the unknown target quantity. In addition to the theme of analysing the complexity of our algorithms, we also identify instances that are of practical relevance, leading us to some problems of machine learning. In Chapter 4 we investigate kernel based learning methods using random features. We work with the QRAM input model suitable for big data, and show how matrix functions and the quantum Fourier transform can be used to devise a quantum algorithm for sampling random features that are optimised for given input data and choice of kernel. We obtain a potential exponential speedup over the best known classical algorithm even without explicit assumptions of sparsity or low rank. Finally in Chapter 5 we consider the technique of beamsearch decoding used in natural language processing. We work in the query model, and show how quantum search with advice can be used to construct a quantum search decoder that can find the optimal parse (which may for instance be a best translation, or text-to-speech transcript) at least quadratically faster than the best known classical algorithms, and obtain super-quadratic speedups in the expected runtime.
The theories of optimization and machine learning answer foundational questions in computer science and lead to new algorithms for practical applications. While these topics have been extensively studied in the context of classical computing, their quantum counterparts are far from well-understood. In this thesis, we explore algorithms that bridge the gap between the fields of quantum computing and machine learning. First, we consider general optimization problems with only function evaluations. For two core problems, namely general convex optimization and volume estimation of convex bodies, we give quantum algorithms as well as quantum lower bounds that constitute the quantum speedups of both problems to be polynomial compared to their classical counterparts. We then consider machine learning and optimization problems with input data stored explicitly as matrices. We first look at semidefinite programs and provide quantum algorithms with polynomial speedup compared to the classical state-of-the-art. We then move to machine learning and give the optimal quantum algorithms for linear and kernel-based classifications. To complement with our quantum algorithms, we also introduce a framework for quantum-inspired classical algorithms, showing that for low-rank matrix arithmetics there can only be polynomial quantum speedup. Finally, we study statistical problems on quantum computers, with the focus on testing properties of probability distributions. We show that for testing various properties including L1-distance, L2-distance, Shannon and Renyi entropies, etc., there are polynomial quantum speedups compared to their classical counterparts. We also extend these results to testing properties of quantum states.