Despite their fundamental importance in dictating the quantum-mechanical properties of a system, ground states of many-body local quantum Hamiltonians form a set of measure zero in the many-body Hilbert space. Hence determining whether a given many-body quantum state is ground-stateable is a challenging task. Here we propose an unsupervised machine learning approach, dubbed Entanglement Clustering ("EntanCl"), to separate out ground-stateable wave functions from those that must be excited-state wave functions using entanglement structure information. EntanCl uses snapshots of an ensemble of swap operators as input and projects these high-dimensional data to two dimensions, preserving important topological features of the data associated with distinct entanglement structure using the uniform manifold approximation and projection. The projected data are then clustered using K-means clustering with k = 2. By applying EntanCl to two examples, a one-dimensional free fermion model and the two-dimensional toric code, we demonstrate that EntanCl can successfully separate ground states from excited states with high computational efficiency. Being independent of a Hamiltonian and associated energy estimates, EntanCl offers a new paradigm for addressing quantum many-body wave functions in a computationally efficient manner.
Spectral clustering is a powerful unsupervised machine learning algorithm for clustering data with nonconvex or nested structures [A. Y. Ng, M. I. Jordan, and Y. Weiss, On spectral clustering: Analysis and an algorithm, in Advances in Neural Information Processing Systems 14: Proceedings of the 2001 Conference (MIT Press, Cambridge, MA, 2002), pp. 849--856]. With roots in graph theory, it uses the spectral properties of the Laplacian matrix to project the data in a low-dimensional space where clustering is more efficient. Despite its success in clustering tasks, spectral clustering suffers in practice from a fast-growing running time of
O(n3), where
n is the number of points in the data set. In this work we propose an end-to-end quantum algorithm performing spectral clustering, extending a number of works in quantum machine learning. The quantum algorithm is composed of two parts: the first is the efficient creation of the quantum state corresponding to the projected Laplacian matrix, and the second consists of applying the existing quantum analog of the
k-means algorithm [I. Kerenidis, J. Landman, A. Luongo, and A. Prakash,
q-means: A quantum algorithm for unsupervised machine learning, in Advances in Neural Information Processing Systems 32: Proceedings of the 2019 Conference (Curran Associates, Red Hook, NY, 2020), pp. 4136--4146]. Both steps depend polynomially on the number of clusters, as well as precision and data parameters arising from quantum procedures, and polylogarithmically on the dimension of the input vectors. Our numerical simulations show an asymptotic linear growth with
n when all terms are taken into account, significantly better than the classical cubic growth. This work opens the path to other graph-based quantum machine learning algorithms, as it provides routines for efficient computation and quantum access to the incidence, adjacency, and projected Laplacian matrices of a graph.
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
Received 18 March 2021DOI:https://doi.org/10.1103/PhysRevX.11.029901Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.© 2021 American Physical SocietyPhysics Subject Headings (PhySH)Physical Systems1-dimensional systemsStrongly correlated systemsTechniquesElectronic structureFirst-principles calculationsNumerical techniquesQuantum chemistry methodsCondensed Matter & Materials Physics
Solving ground states of quantum many-body systems has been a long-standing problem in condensed matter physics. Here, we propose a new unsupervised machine learning algorithm to find the ground state of a general quantum many-body system utilizing the benefits of artificial neural network. Without assuming the specific forms of the eigenvectors, this algorithm can find the eigenvectors in an unbiased way with well controlled accuracy. As examples, we apply this algorithm to 1D Ising and Heisenberg models, where the results match very well with exact diagonalization.
Preparation of a target quantum many-body state on quantum simulators is one of the significant steps in quantum science and technology. With a small number of qubits, a few quantum states, such as the Greenberger-Horne-Zeilinger state, have been prepared, but fundamental difficulties in systems with many qubits remain, including the Lieb-Robinson bounds for the number of quantum operations. Here, we provide one algorithm with an implementation of a deep learning process and achieve to prepare the target ground states with many qubits. Our strategy is to train a machine-learning model and predict parameters with many qubits by utilizing a pattern of quantum states from the corresponding quantum states with small numbers of qubits. For example, we demonstrate that our algorithm with the Quantum Approximate Optimization Ansatz can effectively generate the ground state for a 1D XY model with 64 spins. We also demonstrate that the reduced density operator of two qubits can be utilized to capture the pattern of quantum many-body states such as correlation lengths even for quantum critical states.