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arXiv:2602.16176 · ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD)

Reinforcement learning for path integrals in quantum statistical physics

Timour Ichmoukhamedov, Dries Sels

quant-phcond-mat.stat-mechSubmitted Feb 18, 2026• Announced Feb 19, 2026• 0 citations
v1 · Feb 18, 2026v2 · May 30, 2026
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Abstract

Machine learning is rapidly finding its way into the field of computational quantum physics. One of the most popular and widely studied approaches in this direction is to use neural networks to model quantum states (NQS) in the Hamiltonian formulation of quantum mechanics. However, an alternative angle of attack to leverage machine learning in physics is through the path integral formulation, which has so far received far more limited attention. In this paper, we explore how reinforcement learning can be used to compute a class of Euclidean path integrals that yield the thermal density matrix of a quantum system, thereby enabling the computation of the free energy or other thermal expectation values. In particular, we propose a two-step approach with the unique feature that after a variational approximation for a quantity is obtained in a first step, it can then be used to efficiently compute the exact result in a second step. We benchmark this method on several simple systems and then apply it to the quantum rotor chain.

DOI
10.1145/3770855.3819014

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Machine learning is rapidly finding its way into the field of computational quantum physics. One of the most popular and widely studied approaches in this direction is to use neural networks to model quantum states (NQS) in the Hamiltonian formulation of quantum mechanics. However, an alternative angle of attack to leverage machine learning in physics is through the path integral formulation, which has so far received far more limited attention. In this paper, we explore how reinforcement learning can be used to compute a class of Euclidean path integrals that yield the thermal density matrix of a quantum system, thereby enabling the computation of the free energy or other thermal expectation values. In particular, we propose a two-step approach with the unique feature that after a variational approximation for a quantity is obtained in a first step, it can then be used to efficiently compute the exact result in a second step. We benchmark this method on several simple systems and then apply it to the quantum rotor chain.
Variational quantum circuits have recently gained popularity as quantum machine learning models. While considerable effort has been invested to train them in supervised and unsupervised learning settings, relatively little attention has been given to their potential use in reinforcement learning. In this work, we leverage the understanding of quantum policy gradient algorithms in a number of ways. First, we investigate how to construct and train reinforcement learning policies based on variational quantum circuits. We propose several designs for quantum policies, provide their learning algorithms, and test their performance on classical benchmarking environments. Second, we show the existence of task environments with a provable separation in performance between quantum learning agents and any polynomial-time classical learner, conditioned on the widely-believed classical hardness of the discrete logarithm problem. We also consider more natural settings, in which we show an empirical quantum advantage of our quantum policies over standard neural-network policies. Our results constitute a first step towards establishing a practical near-term quantum advantage in a reinforcement learning setting. Additionally, we believe that some of our design choices for variational quantum policies may also be beneficial to other models based on variational quantum circuits, such as quantum classifiers and quantum regression models.
Finding the ground state of a quantum mechanical system can be formulated as an optimal control problem. In this formulation, the drift of the optimally controlled process is chosen to match the distribution of paths in the Feynman--Kac (FK) representation of the solution of the imaginary time Schr\"odinger equation. This provides a variational principle that can be used for reinforcement learning of a neural representation of the drift. Our approach is a drop-in replacement for path integral Monte Carlo, learning an optimal importance sampler for the FK trajectories. We demonstrate the applicability of our approach to several problems of one-, two-, and many-particle physics.
This chapter focuses on Quantum Mechanics and Quantum Field Theory in a euclidean formulation. This means that, in general, it discusses the matrix elements of the quantum statistical operator eβH (the density matrix at thermal equilibrium), where H is the hamiltonian and β is the inverse temperature. The chapter begins by first deriving the path integral representation of matrix elements of the quantum statistical operator for hamiltonians of the simple form p 2/2m + V (q). Comparing classical statistical physics in one space dimension and quantum statistical physics of the particle, it introduces statistical correlation functions and discusses their quantum interpretation. It then explicitly calculates the path integral corresponding to a harmonic oscillator in a time-dependent external force. This result can be used to reduce the evaluation of path integrals in the case of analytic potentials to perturbation theory. The chapter shows on a first example that path integrals are especially well suited to the study of the classical limit, by relating a quantum and classical partition function. The appendix explains some general properties of the two-point function, and use the semi-classical approximation of the partition function to derive Bohr–Sommerfeld's quantization condition.
The progress in machine learning during the last decade has had a considerable impact on many areas of science and technology, including quantum technology. This work explores the application of reinforcement learning (RL) methods to the quantum control problem of state transfer in a single qubit. The goal is to create an RL agent that learns an optimal policy and thus discovers optimal pulses to control the qubit. The most crucial step is to mathematically formulate the problem of interest as a Markov decision process (MDP). This enables the use of RL algorithms to solve the quantum control problem. Deep learning and the use of deep neural networks provide the freedom to employ continuous action and state spaces, offering the expressivity and generalization of the process. This flexibility helps to formulate the quantum state transfer problem as an MDP in several different ways. All the developed methodologies are applied to the fundamental problem of population inversion in a qubit. In most cases, the derived optimal pulses achieve fidelity equal to or higher than 0.9999, as required by quantum computing applications. The present methods can be easily extended to quantum systems with more energy levels and may be used for the efficient control of collections of qubits and to counteract the effect of noise, which are important topics for quantum sensing applications.
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Applying quantum computing techniques to machine learning has attracted widespread attention recently and quantum machine learning has become a hot research topic. There are three major categories of machine learning: supervised, unsupervised, and reinforcement learning (RL). However, quantum RL has made the least progress when compared to the other two areas. In this study, we implement the well-known RL algorithm Q learning with a quantum neural network and evaluate it in the grid world environment. RL is learning through interactions with the environment, with the aim of discovering a strategy to maximize the expected cumulative rewards. Problems in RL bring in unique challenges to the study with their sequential nature of learning, potentially long delayed reward signals, and large or infinite size of state and action spaces. This study extends our previous work on solving the contextual bandit problem using a quantum neural network, where the reward signals are immediate after each action.