Local Hamiltonians Research Articles

Accelerated impurity solver for DMFT and its diagrammatic extensions

We present ComCTQMC, a GPU accelerated quantum impurity solver. It uses the continuous-time quantum Monte Carlo (CTQMC) algorithm wherein the partition function is expanded in terms of the hybridisation function (CT-HYB). ComCTQMC supports both partition and worm-space measurements, and it uses improved estimators and the reduced density matrix to improve observable measurements whenever possible. ComCTQMC efficiently measures all one and two-particle Green's functions, all static observables which commute with the local Hamiltonian, and the occupation of each impurity orbital. ComCTQMC can solve complex-valued impurities with crystal fields that are hybridized to both fermionic and bosonic baths. Most importantly, ComCTQMC utilizes graphical processing units (GPUs), if available, to dramatically accelerate the CTQMC algorithm when the Hilbert space is sufficiently large. We demonstrate acceleration by a factor of over 600 (100) in a simulation of δ-Pu at 600 K with (without) crystal fields. In easier problems, the GPU offers less impressive acceleration or even decelerates the CTQMC. Here we describe the theory, algorithms, and structure used by ComCTQMC in order to achieve this set of features and level of acceleration. Program summaryProgram Title: ComCTQMCCPC Library link to program files:https://doi.org/10.17632/x2gzgm8njh.1Licensing provisions: GPLv3Programming language: C++/CUDANature of problem: In dynamical mean-field theory (DMFT), the computational bottleneck is the repeated solution of a quantum impurity problem [1]. The continuous-time quantum Monte-Carlo (CTQMC) algorithm has emerged as one of the most efficient methods for solving multiorbital impurity problems at moderate-to-high temperatures [2]. However, the low-temperature regime remains inaccessible, particularly for f-shell systems, and the measurement of two-particle correlation functions on an impurity adds a substantial computational burden. The bottleneck of the CTQMC solver is itself the computation of the local trace which includes the multiplication of many moderate-to-large sized matrices. The efficient solution of the impurity, measurement of the two-particle correlation functions, and acceleration of the trace computation are therefore critical.Solution method: ComCTQMC uses the hybridisation expansion of the impurity action to explore partition space [3]. It uses the worm algorithm [4] to explore the union of the partition space with observables spaces, e.g., the two-particle correlation functions. It uses improved estimators to more accurately measure the one- and two-particle Green's functions [5]. Identical impurities are solved across all MPI ranks (for ideal weak scaling) and the trace computations of these impurities are distributed to and accelerated by GPUs (when available). The lazy-trace algorithm [6] is used to further reduce the burden of the local trace calculation.Additional comments including restrictions and unusual features: ComCTQMC solves nearly arbitrary impurities, including those with complex valued and time-dependent interactions. However, there are two restrictions: (1) The retarded part of the interaction is described by a set of bilinears (a paired creation and annihilation operator), and these bilinears must commute with the local Hamiltonian and have real quantum numbers; (2) If a local Green's function vanishes, then the corresponding hybridisation function also vanishes.

Entanglement clustering for ground-stateable quantum many-body states

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 the 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 this 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 (UMAP). The projected data is then clustered using K-means clustering with $k=2$. By applying EntanCl to two examples, a one-dimensional band insulator 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.

Exchange constants for local spin Hamiltonians from tight-binding models

We consider the mapping of tight-binding electronic structure theory to a local spin Hamiltonian, based on the adiabatic approximation for spin degrees of freedom in itinerant-electron systems. Local spin Hamiltonians are introduced in order to describe the energy landscape of small magnetic fluctuations, locally around a given spin configuration. They are designed for linear response near a given magnetic state and in general insufficient to capture arbitrarily strong deviations of spin configurations from the equilibrium. In order to achieve this mapping, we include a linear term in the local spin Hamiltonian that, together with the usual bilinear exchange tensor, produces an improved accuracy of effective magnetic Weiss fields for non-collinear states. We also provide examples from tight-binding electronic structure theory, where our implementation of the calculation of exchange constants is based on constraining fields that stabilize an out-of-equilibrium spin configuration. We check our formalism by means of numerical calculations for iron dimers and chains.

Implementation of Local Chiral Interactions in the Hyperspherical Harmonics Formalism

With the goal of using chiral interactions at various orders to explore the properties of the few-body nuclear systems, we write the recently developed local chiral interactions as spherical irreducible tensors and implement them in the hyperspherical harmonics expansion method. We devote particular attention to three-body forces at next-to-next-to leading order, which play an important role in reproducing experimental data. We check our implementation by benchmarking the ground-state properties of 3H, 3He, and 4He against the available Monte Carlo calculations. We then confirm their order-by-order truncation error estimates and further investigate uncertainties in the charge radii obtained by using the precise muonic atom data for single-nucleon radii. Having local chiral Hamiltonians at various orders implemented in our hyperspherical harmonics suites of codes opens up the possibility to test such interactions on other light-nuclei properties, such as electromagnetic reactions.

Sample-efficient learning of interacting quantum systems

We study the problem of learning the Hamiltonian of a quantum many-body system given samples from its Gibbs (thermal) state. The classical analog of this problem, known as learning graphical models or Boltzmann machines, is a well-studied question in machine learning and statistics. In this work, we give the first sample-efficient algorithm for the quantum Hamiltonian learning problem. In particular, we prove that polynomially many samples in the number of particles (qudits) are necessary and sufficient for learning the parameters of a spatially local Hamiltonian in l_2-norm. Our main contribution is in establishing the strong convexity of the log-partition function of quantum many-body systems, which along with the maximum entropy estimation yields our sample-efficient algorithm. Classically, the strong convexity for partition functions follows from the Markov property of Gibbs distributions. This is, however, known to be violated in its exact form in the quantum case. We introduce several new ideas to obtain an unconditional result that avoids relying on the Markov property of quantum systems, at the cost of a slightly weaker bound. In particular, we prove a lower bound on the variance of quasi-local operators with respect to the Gibbs state, which might be of independent interest. Our work paves the way toward a more rigorous application of machine learning techniques to quantum many-body problems.

Optimization at the boundary of the tensor network variety

Tensor network states form a variational ansatz class widely used, both analytically and numerically, in the study of quantum many-body systems. It is known that if the underlying graph contains a cycle, e.g. as in projected entangled pair states (PEPS), then the set of tensor network states of given bond dimension is not closed. Its closure is the tensor network variety. Recent work has shown that states on the boundary of this variety can yield more efficient representations for states of physical interest, but it remained unclear how to systematically find and optimize over such representations. We address this issue by defining a new ansatz class of states that includes states at the boundary of the tensor network variety of given bond dimension. We show how to optimize over this class in order to find ground states of local Hamiltonians by only slightly modifying standard algorithms and code for tensor networks. We apply this new method to a different of models and observe favorable energies and runtimes when compared with standard tensor network methods.

On the conformable fractional E(5) critical point symmetry

A new category of critical point symmetries is introduced. It is suggested that an element of this category, associated with zeros of conformable fractional Bessel functions, be utilized to describe spectra of nuclei around the E(5) critical point. The exact eigenvalue and eigenfunction solutions of local fractional Bohr-Mottelson Hamiltonian (with infinite square well potential) are obtained. The evolution of the spectra of the fractional E(5) critical point in correspondence with the fractional derivative order is investigated. Using the fractional E(5) critical point, a satisfactory description of the energy levels is obtained in the 102Pd and 104Ru nuclei.

Topological Lower Bound on Quantum Chaos by Entanglement Growth.

A fundamental result in modern quantum chaos theory is the Maldacena-Shenker-Stanford upper bound on the growth of out-of-time-order correlators, whose infinite-temperature limit is related to the operator-space entanglement entropy of the evolution operator. Here we show that, for one-dimensional quantum cellular automata (QCA), there exists a lower bound on quantum chaos quantified by such entanglement entropy. This lower bound is equal to twice the index of the QCA, which is a topological invariant that measures the chirality of information flow, and holds for all the Rényi entropies, with its strongest Rényi-∞ version being tight. The rigorous bound rules out the possibility of any sublinear entanglement growth behavior, showing in particular that many-body localization is forbidden for unitary evolutions displaying nonzero index. Since the Rényi entropy is measurable, our findings have direct experimental relevance. Our result is robust against exponential tails which naturally appear in quantum dynamics generated by local Hamiltonians.

Gaussian continuous tensor network states for simple bosonic field theories

Tensor networks states allow one to find the low-energy states of local lattice Hamiltonians through variational optimization. Recently, a construction of such states in the continuum was put forward, providing a first step towards the goal of solving quantum field theories (QFTs) variationally. However, the proposed manifold of continuous tensor network states (CTNSs) is difficult to study in full generality, because the expectation values of local observables cannot be computed analytically. In this paper we study a tractable subclass of CTNSs, the Gaussian CTNSs (GCTNSs), and benchmark them on simple quadratic and quartic bosonic QFT Hamiltonians. We show that GCTNSs provide arbitrarily accurate approximations to the ground states of quadratic Hamiltonians and decent estimates for quartic ones at weak coupling. Since they capture the short distance behavior of the theories we consider exactly, GCTNSs even allow one to renormalize away simple divergences variationally. In the end our study makes it plausible that CTNSs are indeed a good manifold to approximate the low-energy states of QFTs.Received 18 December 2020Accepted 9 March 2021DOI:https://doi.org/10.1103/PhysRevResearch.3.023059Published 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. Open access publication funded by the Max Planck Society.Published by the American Physical SocietyPhysics Subject Headings (PhySH)Research AreasQuantum field theory (low energy)TechniquesTensor network methodsVariational approachQuantum Information

Variational wave functions for Sachdev-Ye-Kitaev models

Given a class of $q$-local Hamiltonians, is it possible to find a simple variational state whose energy is a finite fraction of the ground state energy in the thermodynamic limit? Whereas product states often provide an affirmative answer in the case of bosonic (or qubit) models, we show that Gaussian states fail dramatically in the fermionic case, like for the Sachdev-Ye-Kitaev (SYK) models. This prompts us to propose a new class of wavefunctions for SYK models inspired by the variational coupled cluster algorithm. We introduce a static ("0+0D") large-$N$ field theory to study the energy, two-point correlators, and entanglement properties of these states. Most importantly, we demonstrate a finite disorder-averaged approximation ratio of $r \approx 0.62$ between the variational and ground state energy of SYK for $q=4$. Moreover, the variational states provide an exact description of spontaneous symmetry breaking in a related two-flavor SYK model.

Qubit thermodynamics far from equilibrium: Two perspectives about the nature of heat and work in the quantum regime.

Considering an entropy-based division of energy transferred into heat and work, we develop an alternative theoretical framework for the thermodynamic analysis of two-level systems. When comparing these results with those obtained using the standard definitions of these quantities, we observe the appearance of a different term of work, which represents the energy cost of rotating the Bloch vector in the presence of the external field that defines the local Hamiltonian. Additionally, we obtain explicit expressions for the temperature, the heat capacity, and the internal entropy production of the system in both paradigms. In order to illustrate our findings we study, from both perspectives, matter-radiation interaction processes for two different systems.

Kitaev’s Stabilizer Code and Chain Complex Theory of Bicommutative Hopf Algebras

In this paper, we give a generalization of Kitaev’s stabilizer code based on chain complex theory of bicommutative Hopf algebras. Due to the bicommutativity, the Kitaev’s stabilizer code extends to a broader class of spaces, e.g. finite CW-complexes ; more generally short abstract complex over a commutative unital ring R which is introduced in this paper. Given a finite-dimensional bisemisimple bicommutative Hopf algebra with an R-action, we introduce some analogues of $$\mathbb {A}$$ -stabilizers, $$\mathbb {B}$$ -stabilizers and the local Hamiltonian, which we call by the $$(+)$$ -stabilizers, the $$(-)$$ -stabilizers and the elementary operator respectively. We prove that the eigenspaces of the elementary operator give an orthogonal decomposition and the ground-state space is isomorphic to the homology Hopf algebra. In application to topology, we propose a formulation of topological local stabilizer models in a functorial way. It is known that the ground-state spaces of Kitaev’s stabilizer code extends to Turaev-Viro TQFT. We prove that the 0-eigenspaces of a topological local stabilizer model extends to a projective TQFT which is improved to a TQFT in typical examples. Furthermore, we give a generalization of the duality in the literature based on the Poincare-Lefschetz duality of R-oriented manifolds.

Gauge-Underdetermination and Shades of Locality in the Aharonov\u2013Bohm Effect

I address the view that the classical electromagnetic potentials are shown by the Aharonov–Bohm effect to be physically real (which I dub: ‘the potentials view’). I give a historico-philosophical presentation of this view and assess its prospects, more precisely than has so far been done in the literature. Taking the potential as physically real runs prima facie into ‘gauge-underdetermination’: different gauge choices represent different physical states of affairs and hence different theories. This fact is usually not acknowledged in the literature (or in classrooms), neither by proponents nor by opponents of the potentials view. I then illustrate this theme by what I take to be the basic insight of the AB effect for the potentials view, namely that the gauge equivalence class that directly corresponds to the electric and magnetic fields (which I call the Wide Equivalence Class) is too wide, i.e., the Narrow Equivalence Class encodes additional physical degrees of freedom: these only play a distinct role in a multiply-connected space. There is a trade-off between explanatory power and gauge symmetries. On the one hand, this narrower equivalence class gives a local explanation of the AB effect in the sense that the phase is incrementally picked up along the path of the electron. On the other hand, locality is not satisfied in the sense of signal locality, viz. the finite speed of propagation exhibited by electric and magnetic fields. It is therefore intellectually mandatory to seek desiderata that will distinguish even within these narrower equivalence classes, i.e. will prefer some elements of such an equivalence class over others. I consider various formulations of locality, such as Bell locality, local interaction Hamiltonians, and signal locality. I show that Bell locality can only be evaluated if one fixes the gauge freedom completely. Yet, an explanation in terms of signal locality can be accommodated by the Lorenz gauge: the potentials propagate in waves at finite speed. I therefore suggest the Lorenz gauge potentials theory—an even narrower gauge equivalence relation—as the ontology of electrodynamics.

Entanglement in many-body eigenstates of quantum-chaotic quadratic Hamiltonians

In a recent Letter [Phys. Rev. Lett. 125, 180604 (2020)], we introduced a closed-form analytic expression for the average bipartite von Neumann entanglement entropy of many-body eigenstates of random quadratic Hamiltonians. Namely, of Hamiltonians whose single-particle eigenstates have random coefficients in the position basis. A paradigmatic Hamiltonian for which the expression is valid is the quadratic Sachdev-Ye-Kitaev (SYK2) model in its Dirac fermion formulation. Here we show that the applicability of our result is much broader. Most prominently, it is also relevant for local Hamiltonians such as the three-dimensional (3D) Anderson model at weak disorder. Moreover, it describes the average entanglement entropy in Hamiltonians without particle-number conservation, such as the SYK2 model in the Majorana fermion formulation and the 3D Anderson model with additional terms that break particle-number conservation. We extend our analysis to the average bipartite second R\'enyi entanglement entropy of eigenstates of the same quadratic Hamiltonians, which is derived analytically and tested numerically. We conjecture that our results for the entanglement entropies of many-body eigenstates apply to quadratic Hamiltonians whose single-particle eigenstates exhibit quantum chaos, to which we refer as quantum-chaotic quadratic Hamiltonians.

Test of the Eigenstate Thermalization Hypothesis Based on Local Random Matrix Theory.

We verify that the eigenstate thermalization hypothesis (ETH) holds universally for locally interacting quantum many-body systems. Introducing random matrix ensembles with interactions, we numerically obtain a distribution of maximum fluctuations of eigenstate expectation values for different realizations of interactions. This distribution, which cannot be obtained from the conventional random matrix theory involving nonlocal correlations, demonstrates that an overwhelming majority of pairs of local Hamiltonians and observables satisfy the ETH with exponentially small fluctuations. The ergodicity of our random matrix ensembles breaks down because of locality.

Universal entanglement of mid-spectrum eigenstates of chaotic local Hamiltonians

In systems governed by chaotic local Hamiltonians, my previous work [7] conjectured the universality of the average entanglement entropy of all eigenstates by proposing an exact formula for its dependence on the subsystem size. In this note, I extend this result to the average entanglement entropy of a constant fraction of eigenstates in the middle of the energy spectrum. The generalized formula is supported by numerical simulations of various chaotic spin chains.

Hardness of efficiently generating ground states in postselected quantum computation

Generating ground states of any local Hamiltonians seems to be impossible in quantum polynomial time. In this paper, we give evidence for the impossibility by applying an argument used in the quantum-computational-supremacy approach. More precisely, we show that if ground states of any $3$-local Hamiltonians can be approximately generated in quantum polynomial time with postselection, then ${\sf PP}={\sf PSPACE}$. Our result is superior to the existing findings in the sense that we reduce the impossibility to an unlikely relation between classical complexity classes. We also discuss what makes efficiently generating the ground states hard for postselected quantum computation.

Entanglement Hamiltonian of interacting systems: Local temperature approximation and beyond

We investigate the second quantization form of the entanglement Hamiltonian (EH) of various subregions for the ground-state of several interacting lattice fermions and spin models. The relation between the EH and the model Hamiltonian itself is an unsolved problem for the ground-state of generic local Hamiltonians. In this letter, we demonstrate that the EH is practically local and its dominant components are related to the terms present in the model Hamiltonian up to a smooth spatially varying temperature even for (a) discrete lattice systems, (b) systems with no emergent conformal or Lorentz symmetry, and (c) for subsystems with non-flat boundaries, up to relatively strong interactions. We show that the mentioned local temperature at a given point decays inversely proportional to its distance from the boundary between the subsystem and the environment. We find the subdominant terms in the EH as well and show that they are severely suppressed away from the boundaries of subsystem and are relatively small near them.

The quantum marginal problem for symmetric states: applications to variational optimization, nonlocality and self-testing

In this paper, we present a method to solve the quantum marginal problem for symmetric d-level systems. The method is built upon an efficient semi-definite program that uses the compatibility conditions of an m-body reduced density with a global n-body density matrix supported on the symmetric space. We illustrate the applicability of the method in central quantum information problems with several exemplary case studies. Namely, (i) a fast variational ansatz to optimize local Hamiltonians over symmetric states, (ii) a method to optimize symmetric, few-body Bell operators over symmetric states and (iii) a set of sufficient conditions to determine which symmetric states cannot be self-tested from few-body observables. As a by-product of our findings, we also provide a generic, analytical correspondence between arbitrary superpositions of n-qubit Dicke states and translationally-invariant diagonal matrix product states of bond dimension n.

Discrete Polynomial Optimization with Coherent Networks of Condensates and Complex Coupling Switching.

Gain-dissipative platforms consisting of lasers, optical parametric oscillators and nonequilibrium condensates operating at the condensation or coherence threshold have been recently proposed as efficient analog simulators of the two-local spin Hamiltonians with continuous or discrete degrees of freedom. We show that nonequilibrium condensates above the threshold arranged in an interacting network may realize k-local Hamiltonians with k>2 and lead to nontrivial phase configurations. Similarly, many gain-dissipative systems that can be manipulated by optical means can bring about the ground state of the k-local Hamiltonians and solve higher-order binary optimization problems. We show how to facilitate the search for the global solution by invoking complex couplings in the system and demonstrate the efficiency of the method on the sets of complex problems. This approach offers a highly flexible new kind of computation based on gain-dissipative simulators with complex coupling switching.