In this work, we consider a fundamental task in quantum many-body physics – finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value of sums of geometrically local observables by learning from data. For short-range gapped Hamiltonians, a sample complexity that is logarithmic in the number of qubits and quasipolynomial in the error was obtained. Here we extend these results beyond the local requirements on both Hamiltonians and observables, motivated by the relevance of long-range interactions in molecular and atomic systems. For interactions decaying as a power law with exponent greater than twice the dimension of the system, we recover the same efficient logarithmic scaling with respect to the number of qubits, but the dependence on the error worsens to exponential. Further, we show that learning algorithms equivariant under the automorphism group of the interaction hypergraph achieve a sample complexity reduction, leading in particular to a constant number of samples for learning sums of local observables in systems with periodic boundary conditions. We demonstrate the efficient scaling in practice by learning from DMRG simulations of 1 D long-range and disordered systems with up to 128 qubits. Finally, we provide an analysis of the concentration of expectation values of global observables stemming from the central limit theorem, resulting in increased prediction accuracy.
In this work, we consider a fundamental task in quantum many-body physics – finding and learning ground states of quantum Hamiltonians and their properties. Recent works have studied the task of predicting the ground state expectation value of sums of geometrically local observables by learning from data. For short-range gapped Hamiltonians, a sample complexity that is logarithmic in the number of qubits and quasipolynomial in the error was obtained. Here we extend these results beyond the local requirements on both Hamiltonians and observables, motivated by the relevance of long-range interactions in molecular and atomic systems. For interactions decaying as a power law with exponent greater than twice the dimension of the system, we recover the same efficient logarithmic scaling with respect to the number of qubits, but the dependence on the error worsens to exponential. Further, we show that learning algorithms equivariant under the automorphism group of the interaction hypergraph achieve a sample complexity reduction, leading in particular to a constant number of samples for learning sums of local observables in systems with periodic boundary conditions. We demonstrate the efficient scaling in practice by learning from DMRG simulations of 1 D long-range and disordered systems with up to 128 qubits. Finally, we provide an analysis of the concentration of expectation values of global observables stemming from the central limit theorem, resulting in increased prediction accuracy.
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
Predicting properties across system parameters is an important task in quantum physics, with applications ranging from molecular dynamics to variational quantum algorithms. Recently, provably efficient algorithms to solve this task for ground states within a gapped phase were developed. Here we dramatically improve the efficiency of these algorithms by showing how to learn properties of all ground states for systems with periodic boundary conditions from a single ground state sample. We prove that the prediction error tends to zero in the thermodynamic limit and numerically verify the results.
We consider two related tasks: (a) estimating a parameterisation of a given Gibbs state and expectation values of Lipschitz observables on this state; and (b) learning the expectation values of local observables within a thermal or quantum phase of matter. In both cases, we wish to minimise the number of samples we use to learn these properties to a given precision. For the first task, we develop new techniques to learn parameterisations of classes of systems, including quantum Gibbs states of non-commuting Hamiltonians with exponential decay of correlations and the approximate Markov property. We show it is possible to infer the expectation values of all extensive properties of the state from a number of copies that not only scales polylogarithmically with the system size, but polynomially in the observable's locality -- an exponential improvement. This set of properties includes expected values of quasi-local observables and entropies. For the second task, we develop efficient algorithms for learning observables in a phase of matter of a quantum system. By exploiting the locality of the Hamiltonian, we show that M local observables can be learned with probability 1−δ to precision ε with using only N=O(log(δM)epolylog(ε−1)) samples -- an exponential improvement on the precision over previous bounds. Our results apply to both families of ground states of Hamiltonians displaying local topological quantum order, and thermal phases of matter with exponential decay of correlations. In addition, our sample complexity applies to the worse case setting whereas previous results only applied on average. Furthermore, we develop tools of independent interest, such as robust shadow tomography algorithms, Gibbs approximations to ground states, and generalisations of transportation cost inequalities for Gibbs states.
Recent theoretical progress has established conditions under which machine learning models can efficiently predict ground-state properties of gapped local Hamiltonians when trained on quantum-generated data. Previous experimental demonstrations in this paradigm, however, have largely been limited to small systems or highly structured states, due to the difficulty of preparing many-body ground states on quantum processors. In this work, we demonstrate learning from experimental quantum data generated from approximate ground states of the two-dimensional Heisenberg XXZ model with system sizes up to 115 qubits. We construct a dataset of single-site expectation values, two-point correlations, and 12-body loop correlations across the antiferromagnetic phase. We then train neural networks on this data and show that they can accurately predict spatially resolved observables for previously unseen Hamiltonian parameters, both within the training distribution and in an out-of-distribution regime approaching the phase boundary. Our results demonstrate the practical realization of learning from quantum data for an interacting two-dimensional many-body system at scale, motivating a path toward regimes where quantum processors could provide training data beyond the reach of classical approximation methods.
A fundamental problem in quantum many-body physics is that of finding ground states of local Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning properties of the ground state of an n-qubit gapped local Hamiltonian H from only nO(1) data points sampled from Hamiltonians in the same phase of matter. This was subsequently improved by [Lewis et al. Nature Communications 2024], to O(logn) samples when the geometry of the n-qubit system is known. In this work, we introduce two approaches that achieve a constant sample complexity, independent of system size n, for learning ground state properties. Our first algorithm consists of a simple modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of the property is not known, is a deep neural network model. While empirical results showing the performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.
The combination of quantum many-body and machine learning techniques has recently proved to be a fertile ground for new developments in quantum computing. Several works have shown that it is possible to classically efficiently predict the expectation values of local observables on all states within a phase of matter using a machine learning algorithm after learning from data obtained from other states in the same phase. However, existing results are restricted to phases of matter such as ground states of gapped Hamiltonians and Gibbs states that exhibit exponential decay of correlations. In this work, we drop this requirement and show how it is possible to learn local expectation values for all states in a phase, where we adopt the Lindbladian phase definition by Coser \& Pérez-García [Coser \& Pérez-García, Quantum 3, 174 (2019)], which defines states to be in the same phase if we can drive one to other rapidly with a local Lindbladian. This definition encompasses the better-known Hamiltonian definition of phase of matter for gapped ground state phases, and further applies to any family of states connected by short unitary circuits, as well as non-equilibrium phases of matter, and those stable under external dissipative interactions. Under this definition, we show that N=O(log(n/δ)2polylog(1/ε)) samples suffice to learn local expectation values within a phase for a system with n qubits, to error ε with failure probability δ. This sample complexity is comparable to previous results on learning gapped and thermal phases, and it encompasses previous results of this nature in a unified way. Furthermore, we also show that we can learn families of states which go beyond the Lindbladian definition of phase, and we derive bounds on the sample complexity which are dependent on the mixing time between states under a Lindbladian evolution.