Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground-state properties of gapped Hamiltonians after learning from other Hamiltonians in the same quantum phase of matter. By contrast, under a widely accepted conjecture, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, two-dimensional random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.
Classical machine learning (ML) provides a potentially powerful approach to solving challenging quantum many-body problems in physics and chemistry. However, the advantages of ML over traditional methods have not been firmly established. In this work, we prove that classical ML algorithms can efficiently predict ground-state properties of gapped Hamiltonians after learning from other Hamiltonians in the same quantum phase of matter. By contrast, under a widely accepted conjecture, classical algorithms that do not learn from data cannot achieve the same guarantee. We also prove that classical ML algorithms can efficiently classify a wide range of quantum phases. Extensive numerical experiments corroborate our theoretical results in a variety of scenarios, including Rydberg atom systems, two-dimensional random Heisenberg models, symmetry-protected topological phases, and topologically ordered phases.
Abstract The use of quantum computation to speed-up machine learning algorithms is among the most exciting prospective applications in the NISQ era. Here, we focus on the quantum phase learning problem, which is crucially important in understanding many-particle quantum systems. We prove that, under widely believed complexity theory assumptions, quantum phase learning problem cannot be efficiently solved by machine learning algorithms using classical resources and classical data. Whereas using quantum data, we prove the universality of quantum kernel Alphatron in efficiently predicting quantum phases, indicating clear quantum advantages in such learning problems. We numerically benchmark the algorithm for a variety of problems, including recognizing symmetry-protected topological phases and symmetry-broken phases. Our results highlight the capability of quantum machine learning in efficient prediction of quantum phases of many-particle systems.
Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding geometric locality. The proposed ML model can efficiently predict ground state properties of an n-qubit gapped local Hamiltonian after learning from only [Formula: see text] data about other Hamiltonians in the same quantum phase of matter. This improves substantially upon previous results that require [Formula: see text] data for a large constant c. Furthermore, the training and prediction time of the proposed ML model scale as [Formula: see text] in the number of qubits n. Numerical experiments on physical systems with up to 45 qubits confirm the favorable scaling in predicting ground state properties using a small training dataset.
Abstract The use of quantum computation to speed-up machine learning algorithms is among the most exciting prospective applications in the NISQ era. Here, we focus on the quantum phase learning problem, which is crucially important in understanding many-particle quantum systems. We prove that, under widely believed complexity theory assumptions, quantum phase learning problem cannot be efficiently solved by machine learning algorithms using classical resources and classical data. Whereas using quantum data, we prove the universality of quantum kernel Alphatron in efficiently predicting quantum phases, indicating clear quantum advantages in such learning problems. We numerically benchmark the algorithm for a variety of problems, including recognizing symmetry-protected topological phases and symmetry-broken phases. Our results highlight the capability of quantum machine learning in efficient prediction of quantum phases of many-particle systems.
Machine learning is widely regarded as a promising application in which quantum computing could offer a computational advantage. However, general quantum machine learning models with provable guarantees on performance, trainability, and efficient inference remain limited. In this work, we introduce quantum Hamiltonian embeddings, a supervised learning framework in which a classical training dataset is encoded into a single effective, parameterized Hamiltonian. Training optimizes the parameters of this data-dependent Hamiltonian, whose approximate ground state defines the classification rule. Once the ground state has been approximated using a quantum algorithm, inference can be performed either classically using a classical representation of the learned state, or with a quantum representation of the state. We establish efficient methods for gradient estimation and prove favorable generalization guarantees. Furthermore, under standard cryptographic assumptions, we show that Hamiltonian embeddings can realize hypothesis functions beyond the reach of efficient classical algorithms. We then demonstrate the framework at scale on IBM Heron processors using a standard benchmark dataset. Together, these results establish Hamiltonian embeddings as a new framework for quantum machine learning, combining theoretical guarantees with a path for experimental investigations at scale on quantum hardware.
Abstract Advancements in the implementation of quantum hardware have enabled the acquisition of data that are intractable for emulation with classical computers. The integration of classical machine learning (ML) algorithms with these data holds potential for unveiling obscure patterns. Although this hybrid approach extends the class of efficiently solvable problems compared to using only classical computers, this approach has been realized for solving restricted problems because of the prevalence of noise in current quantum computers. Here, we extend the applicability of the hybrid approach to problems of interest in many-body physics, such as predicting the properties of the ground state of a given Hamiltonian and classifying quantum phases. By performing experiments with various error-reducing procedures on superconducting quantum hardware with 127 qubits, we managed to acquire refined data from the quantum computer. This enabled us to demonstrate the successful implementation of classical ML algorithms for systems with up to 44 qubits. Our results verify the scalability and effectiveness of the classical ML algorithms for processing quantum experimental data.
Solving the ground state and the ground-state properties of quantum many-body systems is generically a hard task for classical algorithms. For a family of Hamiltonians defined on an m -dimensional space of physical parameters, the ground state and its properties at an arbitrary parameter configuration can be predicted via a machine learning protocol up to a prescribed prediction error ɛ , provided that a sample set (of size N ) of the states can be efficiently prepared and measured. In a recent work [Huang , ], a rigorous guarantee for such a generalization was proved. Unfortunately, an exponential scaling for the provable sample complexity, N = m O ( 1 ɛ ) , was found to be universal for generic gapped Hamiltonians. This result applies to the situation where the dimension of the parameter space is large, while the scaling with the accuracy is not an urgent factor, not entering the realm of more precise learning and prediction. In this work, we consider an alternative relevant scenario, where the effective dimension m is a finite, not necessarily large constant, while the scaling with the prediction error becomes the central concern. By jointly preserving the fundamental properties of density matrices in the learning protocol and utilizing the continuity of quantum states in the parameter range of interest, we rigorously obtain a polynomial sample complexity for predicting quantum many-body states and their properties, with respect to the prediction error ɛ and the number of qubits, n , with N = poly ( ɛ − 1 , n , ln 1 δ ) , where poly denotes a polynomial function, and ( 1 − δ ) is the probability of success. Moreover, if restricted to learning local quantum-state properties, the number of samples can be further reduced to N = poly ( ɛ − 1 , ln n δ ) . Numerical demonstrations confirm our findings, and an alternative approach utilizing statistical learning theory with reproducing kernel Hilbert space achieves consistent results. The mere continuity assumption indicates that our results are not restricted to gapped Hamiltonian systems and properties within the same phase. Published by the American Physical Society 2024