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Hamiltonian simulation in the low energy subspace

Burak Şahinoğlu [email protected] Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA    Rolando D. Somma [email protected] Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA
Abstract

We study the problem of simulating the dynamics of spin systems when the initial state is supported on a subspace of low-energy of a Hamiltonian HH. This is a central problem in physics with vast applications in many-body systems and beyond, where the interesting physics takes place in the low-energy sector. We analyze error bounds induced by product formulas that approximate the evolution operator and show that these bounds depend on an effective low-energy norm of HH. We find improvements over the best previous complexities of product formulas that apply to the general case, and these improvements are more significant for long evolution times that scale with the system size and/or small approximation errors. To obtain these improvements, we prove exponentially-decaying upper bounds on the leakage to high-energy subspaces due to the product formula. Our results provide a path to a systematic study of Hamiltonian simulation at low energies, which will be required to push quantum simulation closer to reality.

I Introduction

The simulation of quantum systems is believed to be one of the most important applications of quantum computers Fey82 . Many quantum algorithms for simulating quantum dynamics exist Llo96 ; AT03 ; BAC07 ; WBH+10 ; BCC+14 ; BCC+15 ; LC17 ; LC19 ; Cam19 ; haah2018quantum , with applications in physics SOGKL02 ; JLP12 , quantum chemistry WBCH14 ; BBK+15 ; BBK++15 , and beyond CKS17 . While these algorithms are deemed efficient and run in time polynomial in factors such as system size, ongoing work has significantly improved the performance of such approaches. These improvements are important to explore the power of quantum computers and push quantum simulation closer to reality.

Leading Hamiltonian simulation methods are based on a handful of techniques. A main example is the product formula, which approximates the evolution of a Hamiltonian HH by short-time evolutions under the terms that compose HH Suz90 ; Suz91 ; BAC07 ; WBH+10 . Each such evolution can be decomposed as a sequence of two-qubit gates SOGKL02 to build up a quantum algorithm. Product formulas are attractive for various reasons: they are simple, intuitive, and their implementations may not require ancillary qubits, which contrasts other sophisticated methods as those in Refs. BCC+15 ; LC17 . Product formulas are also the basis of classical simulation algorithms including path-integral Monte Carlo NB98 .

Recent works provide refined error bounds of product formulas Som16 ; CS19 ; CST+19 ; CBC20 . These works regard various settings, such as when HH is a sum of spatially-local terms or when these terms satisfy Lie-algebraic properties. Nevertheless, while these improvements are important and necessary, a number of shortcomings remain. For example, the best-known complexities of product formulas scale poorly with the norm of HH or its terms, which can be very large or unbounded, even when the evolved quantum system does not explore high-energy states. These complexities may be improved under physically-relevant assumptions on energy scales. In fact, numerical simulations of few spin systems suggest that product formulas applied to low-energy states lead to much lower errors than that of the worst-case. Figure 1, for example, shows these errors for a 2x6 spin-1/2 Heisenberg model, suggesting that a complexity improvement is possible under a low-energy assumption on the initial state. Simulation results for related models present similar features. Nevertheless, our inability of simulating larger quantum systems with classical computers efficiently demands for analytical tools to actually demonstrate strict improvements on complexities of product formulas that apply generally.

Refer to caption
Figure 1: Worst case vs. low-energy Trotter errors: Errors induced by product formulas for a 2x6 Heisenberg spin-1/2 model. The Hamiltonian is H=i,jXiXj+YiYj+ZiZjH=-\sum_{\langle i,j\rangle}X_{i}X_{j}+Y_{i}Y_{j}+Z_{i}Z_{j}, where XiX_{i}, YiY_{i}, and ZiZ_{i} are the Pauli operators for the iith spin, and H=H1+H2H=H_{1}+H_{2}, where H1H_{1} and H2H_{2} are the interaction terms represented by blue and red bonds, respectively. (a) The evolution operator for time ss, U(s)=eisHU(s)=e^{-isH}, is approximated by the first order product formula W1(s)=eisH1eisH2W_{1}(s)=e^{-isH_{1}}e^{-isH_{2}}. The plot shows the largest approximation errors when acting on various low-energy subspaces associated with increasing energies, labeled by n=1,50,150,200n=1,50,150,200, and in the worst case. (b) Similar results for when the evolution operator U(s)=eisHU(s)=e^{-isH} is approximated by the second order product formula W2(s)=eisH1/2eisH2eisH1/2W_{2}(s)=e^{-isH_{1}/2}e^{-isH_{2}}e^{-isH_{1}/2}.

To this end, we investigate the Hamiltonian simulation problem when the initial state is supported on a low-energy subspace. This is a central problem in physics that has vast applications, including the simulation of condensed matter systems for studying quantum phase transitions Sac11 , the simulation of quantum field theories JLP12 , the simulation of adiabatic quantum state preparation FGGS00 ; BKS10 , and more. We analyze the complexities of product formulas in this setting and show significant improvements with respect to the best known complexity bounds that apply to the general case.

II Results

II.1 Overview

Our main result is that, for a local Hamiltonian on NN spins H=lHlH=\sum_{l}H_{l} with Hl0H_{l}\geq 0, the error induced by a pp-th order product formula is 𝒪((Δs)p+1)\mathcal{O}((\Delta^{\prime}s)^{p+1}), where ss is a (short) time parameter and Δ\Delta^{\prime} is an effective low-energy norm of HH. This norm depends on Δ\Delta, which is an energy associated with the initial state, but also depends on ss and other parameters that define HH. The best known error bounds for product formulas that apply to the general case depend on the Hl\|H_{l}\|’s CST+19 . (Throughout this paper, .\|.\| refers to the spectral norm.) Thus, an improvement in the complexity of product formulas is possible when ΔmaxlHl\Delta^{\prime}\ll\max_{l}\|H_{l}\|, which can occur for sufficiently small values of Δ\Delta and ss. Such values of ss appear in low-order product formulas (e.g., first order) or, for larger order, when the overall evolution time tt is sufficiently large and/or the desired approximation error ε\varepsilon is sufficiently small. We summarize some of the complexity improvements in Table I.

Order Previous result Low-energy simulation
p=1p=1 𝒪(τ2Nε)\mathcal{O}(\frac{\tau^{2}N}{\varepsilon}) 𝒪~(τ2ε)+𝒪(τ4/3N2/3ε1/3)\tilde{\mathcal{O}}(\frac{\tau^{2}}{\varepsilon})+\mathcal{O}(\frac{\tau^{4/3}N^{2/3}}{\varepsilon^{1/3}})
p=2p=2 𝒪(τ3/2N1/2ε1/2)\mathcal{O}(\frac{\tau^{3/2}N^{1/2}}{\varepsilon^{1/2}}) 𝒪~(τ3/2ε1/2)+𝒪(τ6/5N3/5ε1/5)\tilde{\mathcal{O}}(\frac{\tau^{3/2}}{\varepsilon^{1/2}})+\mathcal{O}(\frac{\tau^{6/5}N^{3/5}}{\varepsilon^{1/5}})
p=3p=3 𝒪(τ4/3N1/3ε1/3)\mathcal{O}(\frac{\tau^{4/3}N^{1/3}}{\varepsilon^{1/3}}) 𝒪~(τ4/3ε1/3)+𝒪(τ8/7N4/7ε1/7)\tilde{\mathcal{O}}(\frac{\tau^{4/3}}{\varepsilon^{1/3}})+\mathcal{O}(\frac{\tau^{8/7}N^{4/7}}{\varepsilon^{1/7}})
Table 1: Improvements of low-energy simulation: Comparison between the best-known complexity CST+19 and the complexity of low-energy simulation for pp-th order product formulas. Results show the Trotter number for constant Δ\Delta and local Hamiltonians on NN spins with constant degree and strength bounded by JJ, and τ=|t|J\tau=|t|J. ε\varepsilon is the approximation error. The 𝒪~\tilde{\mathcal{O}} notation hides polylogarithmic factors in τ/ε\tau/\varepsilon.

To obtain our results, we introduce the notion of effective Hamiltonians that are basically the HlH_{l}’s restricted to act on a low-energy subspace. The relevant norms of these effective operators is bounded by Δ\Delta^{\prime}. One could then proceed to simulate the evolution using a product formula that involves effective Hamiltonians and obtain an error bound that matches ours. A challenge is that these effective Hamiltonians are generally non-local and difficult to compute. Methods such as the local Schrieffer-Wolff transformation glazek1993renormalization ; bravyi2011schrieffer work only at the perturbative regime and numerical renormalization group methods for spin systems gu2008tensor ; evenbly2009algorithms have been studied only for a handful of models, while a general analytical treatment does not exist. Thus, efficient methods to simulate time evolution of effective Hamiltonians are lacking. We address this challenge by showing that evolutions under the effective Hamiltonians can be approximated by evolutions under the original HlH_{l}’s with a suitable choice of Δ\Delta^{\prime}. This result is key in our construction and may find applications elsewhere.

Our main contributions are based on a number of technical lemmas and corollaries that are given in the Methods section and proven in detail in Supplementary Information.

II.2 Product formulas and effective operators

For a time-independent Hamiltonian H=l=1LHlH=\sum_{l=1}^{L}H_{l}, where each HlH_{l} is Hermitian, the evolution operator for time tt is U(t)=eitHU(t)=e^{-itH}. Product formulas provide a way of approximating U(t)U(t) as a product of exponentials, each being a short-time evolution under some HlH_{l}. For p>0p>0 integer and ss\in\mathbb{R}, a pp-th order product formula is a unitary

Wp(s)=eisqHlqeis2Hl2eis1Hl1,\displaystyle W_{p}(s)=e^{-is_{q}H_{l_{q}}}\cdots e^{-is_{2}H_{l_{2}}}e^{-is_{1}H_{l_{1}}}\;, (1)

where each sjs_{j}\in\mathbb{R} is proportional to ss and 1ljL1\leq l_{j}\leq L. The number of terms in the product may depend on pp and LL, and we assume L=𝒪(1)L=\mathcal{O}(1), q=𝒪(1)q=\mathcal{O}(1). (The more general case is analyzed in Supplementary Information.) We define |𝐬|=j=1q|sj||{\bf s}|=\sum^{q}_{j=1}|s_{j}| and also assume |𝐬|=𝒪(|s|)|{\bf s}|=\mathcal{O}(|s|). The pp-th order product formula satisfies U(s)Wp(s)=𝒪((h|s|)p+1)\|U(s)-W_{p}(s)\|=\mathcal{O}((h|s|)^{p+1}), where h=maxlHlh=\max_{l}\|H_{l}\| BAC07 . One way to construct Wp(s)W_{p}(s) is to apply a recursion in Refs. Suz90 ; Suz91 . These are known as Trotter-Suzuki approximations and satisfy the above assumptions.

By breaking the time interval tt into rr steps of sufficiently small size ss, product formulas can approximate U(t)U(t) as U(t)(Wp(s))rU(t)\approx(W_{p}(s))^{r}. We will refer to rr as the Trotter number, and this number will define the complexity of product formulas that simulate U(t)U(t) within given accuracy. Note that the total number of terms in the product formula is actually qMr=𝒪(Mr)qMr=\mathcal{O}(Mr), where MM is the number of terms in the product decomposition of each eisjHlje^{-is_{j}H_{l_{j}}}.

Known error bounds for product formulas that apply to the general case grow with hh and can be large. However, error bounds for approximating the evolved state U(t)|ψU(t)\ket{\psi} may be better under the additional assumption that |ψ\ket{\psi} is supported on a low-energy subspace. We then analyze the case where the initial state satisfies ΠΔ|ψ=|ψ\Pi_{\leq\Delta}\ket{\psi}=\ket{\psi}, where ΠΛ\Pi_{\leq\Lambda} is the projector into the subspace spanned by eigenstates of HH of energies (eigenvalues) at most Λ0\Lambda\geq 0. We assume Hl0H_{l}\geq 0. Our results will be especially useful when Δ/h\Delta/h vanishes asymptotically, and Δ\Delta will specify the low-energy subspace.

The notion of effective operators will be useful in our analysis. Given a Hermitian operator XX and ΔΔ\Delta^{\prime}\geq\Delta, the corresponding effective operator is X¯=ΠΔXΠΔ\bar{X}=\Pi_{\leq\Delta^{\prime}}X\Pi_{\leq\Delta^{\prime}}, which is also Hermitian. We also define the unitaries U¯(s)=eisH¯\bar{U}(s)=e^{-is\bar{H}} and W¯p(s)\bar{W}_{p}(s) by replacing the HlH_{l}’s by H¯l\bar{H}_{l}’s in Wp(s)W_{p}(s). Note that h¯=maxlH¯lΔ\bar{h}=\max_{l}\|\bar{H}_{l}\|\leq\Delta^{\prime} and U(t)|ψ=U¯(t)|ψU(t)\ket{\psi}=\bar{U}(t)\ket{\psi}. Then, using the known error bound for product formulas, we obtain (U(s)W¯p(s))|ψ=𝒪((Δs)p+1)\|(U(s)-\bar{W}_{p}(s))\ket{\psi}\|=\mathcal{O}((\Delta^{\prime}s)^{p+1}). This error bound is a significant improvement over the general case if Δh\Delta^{\prime}\ll h, which may occur when Δh\Delta\ll h. However, product approximations of U(t)U(t) require that each term is an exponential of some HlH_{l}, which is not the case in W¯p(s)\bar{W}_{p}(s). We will address this issue and show that the improved error bound is indeed attained by Wp(s)W_{p}(s) for a suitable Δ\Delta^{\prime}.

II.3 Local Hamiltonians

We are interested in simulating the time evolution of a local NN-spin system on a lattice. Each local interaction term in HH is of strength bounded by JJ and involves, at most, kk spins. We do not assume that these interactions are only within neighboring spins but define the degree dd as the maximum number of local interaction terms that involve any spin. Next, we write H=l=1LHlH=\sum_{l=1}^{L}H_{l}, where each HlH_{l} is a sum of MM local, commuting terms Bro41 and LMdNLM\leq dN. Each eisHle^{-isH_{l}} in a product formula can be decomposed as products of MM evolutions under the local, commuting terms with no error.

These local Hamiltonians appear as important condensed matter systems, including gapped and critical spin chains, topologically ordered systems, and models with long-range interactions LSM61 ; AKLT04 ; Kit03 ; LMG65 . For example, for a spin chain with nearest neighbour interactions, L=2L=2 and each HlH_{l} may refer to interaction terms associated with even and odd bonds, respectively. In this case, h=𝒪(N)h=\mathcal{O}(N). We will present our results for the case k=𝒪(1)k=\mathcal{O}(1) and d=𝒪(1)d=\mathcal{O}(1) in the main text, which further imply L=𝒪(1)L=\mathcal{O}(1) Bro41 . Nevertheless, explicit dependencies of our results in kk, dd, LL, and other parameters that specify HH can be found in Supplementary Note 4.

Table II summarizes the relevant parameters for the simulation of local Hamiltonians with product formulas.

Symbol Meaning
JJ Hamiltonian term strength
Δ\Delta Low-energy parameter
Δ\Delta^{\prime} (Δ\geq\Delta) Effective low-energy norm
NN Number of spins
tt Total evolution time
rr Number of Trotter steps
ss =t/r=t/r, unit Trotter time
ε\varepsilon Total simulation error
Table 2: Notation: The parameters of the Hamiltonian (local and constant-degree) and product formula simulation.

II.4 Main result

Theorem 1.

Let H=l=1LHlH=\sum_{l=1}^{L}H_{l} be a kk-local Hamiltonian as above, Hl0H_{l}\geq 0, Δ0\Delta\geq 0, 0J|s|10\leq J|s|\leq 1, and Wp(s)W_{p}(s) a pp-th order product formula as in Eq. (1). Then,

(U(s)Wp(s))ΠΔ=𝒪((Δs)p+1),\displaystyle\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\|=\mathcal{O}((\Delta^{\prime}s)^{p+1})\;, (2)

where Δ=Δ+β1Jlog(β2/(J|s|))+β3J2N|s|\Delta^{\prime}=\Delta+\beta_{1}J\log(\beta_{2}/(J|s|))+\beta_{3}J^{2}N|s| and the βi\beta_{i}’s are positive constants, β21\beta_{2}\geq 1.

The proof of Thm. 1 is in Supplementary Note 3 and we provide more details about it in the next section, but the basic idea is as follows. There are two contributions to Eq. (2) in our analysis. One comes from approximating the evolution operator with a product formula that involves the effective Hamiltonians and, as long as ΔΔ\Delta^{\prime}\geq\Delta, this error is 𝒪((Δ|s|)p+1)\mathcal{O}((\Delta^{\prime}|s|)^{p+1}), as explained. The other comes from replacing such a product formula by the one with the actual Hamiltonians HlH_{l}, i.e., Wp(s)W_{p}(s). However, unlike H¯l\bar{H}_{l}, the evolution under each HlH_{l} allows for leakage or transitions from the low-energy subspace to the subspace of energies higher than Δ\Delta^{\prime}. In Supplementary Information, we use a result on energy distributions in Ref. AKL16 to show that this leakage can be bounded and decays exponentially with Δ\Delta^{\prime}. Thus, this effective norm depends on Δ\Delta and must also depend on ss, as the support on high-energy states can increase as ss increases, resulting in the linear contribution to Δ\Delta^{\prime} in Thm. 1.

The log(β2/(J|s|))\log(\beta_{2}/(J|s|)) factor in Δ\Delta^{\prime} only becomes relevant when |s|1|s|\ll 1. This term appears in our analysis due to the requirement that both contributions to Eq. (2) discussed above are of the same order. Thus, as s0s\rightarrow 0, we require Δ\Delta^{\prime}\rightarrow\infty to make the error due to leakage zero, which is unnecessary and unrealistic. This term plays a mild role when determining the final complexity of a product formula, as the goal will be to make ss as large as possible for a target approximation error. It may be possible that this term disappears in a more refined analysis.

Let r=t/sr=t/s be the Trotter number, i.e., the number of steps to approximate U(t)U(t) as (Wp(s))r(W_{p}(s))^{r}. Since U(s)ΠΔ=ΠΔU(s)ΠΔU(s)\Pi_{\leq\Delta}=\Pi_{\leq\Delta}U(s)\Pi_{\leq\Delta} and if (U(s)Wp(s))ΠΔϵ\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\|\leq\epsilon, the triangle inequality implies (U(t)(Wp(s))r)ΠΔ2rϵ\|(U(t)-(W_{p}(s))^{r})\Pi_{\leq\Delta}\|\leq 2r\epsilon. Thus, for overall target error ε>0\varepsilon>0, it will suffice to satisfy (U(s)Wp(s))ΠΔ=𝒪(εs/t)\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\|=\mathcal{O}(\varepsilon s/t). This condition and Thm. 1 can be used to determine rr as follows.

Each term of Δ\Delta^{\prime} in Thm. 1 can be dominant depending on ss and Δ\Delta. First, we consider the first two terms, and determine a condition in ss to satisfy ((Δ+J)|s|)p+1=𝒪(εs/t)((\Delta+J)|s|)^{p+1}=\mathcal{O}(\varepsilon s/t), by omitting the log\log factor. Then, we consider another term and determine a condition in ss to satisfy (J2N|s|2)p+1=𝒪(εs/t)(J^{2}N|s|^{2})^{p+1}=\mathcal{O}(\varepsilon s/t). These two conditions alone can be satisfied with a Trotter number

r=𝒪((t(Δ+J))1+1pε1p+(tJN)1+12p+1ε12p+1).\displaystyle r^{\prime}=\mathcal{O}\left(\frac{(t(\Delta+J))^{1+\frac{1}{p}}}{\varepsilon^{\frac{1}{p}}}+\frac{(tJ\sqrt{N})^{1+\frac{1}{2p+1}}}{\varepsilon^{\frac{1}{2p+1}}}\right)\;. (3)

Last, we reconsider the second term with log\log, and we require (Jlog(1/(J|s|))|s|)p+1=𝒪(εs/t)(J\log(1/(J|s|))|s|)^{p+1}=\mathcal{O}(\varepsilon s/t). As the first two conditions are satisfied with a value for ss that is polynomial in NN and tJ/εtJ/\varepsilon, this last condition only sets a correction to the first term in rr^{\prime} in Eq. (3) that is polylogarithmic in |t|J/ε|t|J/\varepsilon. Thus, the overall complexity of the product formula for local Hamiltonians is given by Eq. (3), where we need to replace 𝒪\mathcal{O} by 𝒪~\tilde{\mathcal{O}} to account for the last correction. Note that the number of terms in each Wp(s)W_{p}(s) is constant under the assumptions and rr is proportional to the total number of exponentials in (Wp(s))r(W_{p}(s))^{r}.

We give a general result on the complexity of product formulas that provides rr as a function of all parameters that specify HH in Thm. 2 of Supplementary Note 4.

II.5 The condition Hl0H_{l}\geq 0

The error bounds for product formulas used in Thm. 1 depend on the norm of the effective Hamiltonians H¯l\bar{H}_{l}. The assumption Hl0H_{l}\geq 0 will then assure that H¯lΔ\|\bar{H}_{l}\|\leq\Delta^{\prime}, which is sufficient to demonstrate the complexity improvements in Eq. (3).

In general, Hl0H_{l}\geq 0 can be met after a simple shifting HlHl+alH_{l}\rightarrow H_{l}+a_{l}, and the assumption seems irrelevant. However, this shifting could result in a value of Δ\Delta (or Δ\Delta^{\prime}) that scales with some parameters such as the system size NN. In this case, the error bound in Thm. 1 would be comparable to that of the worst case (without the low-energy assumption) and would not provide an advantage.

Nevertheless, for many important spin Hamiltonians, the assumption Hl0H_{l}\geq 0 is readily satisfied. The Heisenberg model of Fig. 1 is an example, where HlH_{l} is a sum of terms like 1lXiXjYiYjZiZj0{\mathchoice{\rm 1\mskip-4.0mul}{\rm 1\mskip-4.0mul}{\rm 1\mskip-4.5mul}{\rm 1\mskip-5.0mul}}-X_{i}X_{j}-Y_{i}Y_{j}-Z_{i}Z_{j}\geq 0. More general (anisotropic) Heisenberg models as well as the so-called frustration-free Hamiltonians that are ubiquitous in many-body physics also satisfy the assumption BT09 ; BOO10 , where our results directly apply. For this class of models, the ground state energy is zero. This class contains interesting low-lying states in the subspace where, e.g., Δ=𝒪(1)\Delta=\mathcal{O}(1).

We provide more details on potential complexity improvements for the general case (Hl0H_{l}\ngeq 0) at the end of Supplementary Note 3.

III Discussions

The best previous result for the complexity of product formulas (Trotter number) for local Hamiltonians of constant degree is 𝒪(τ1+1/pN1/p/ε1/p)\mathcal{O}(\tau^{1+1/p}N^{1/p}/\varepsilon^{1/p}), with τ=|t|J\tau=|t|J CST+19 . Our result gives an improvement over this in various regimes. Note that, a general characteristic of our results is that they depend on Δ\Delta, which is specified by the initial state. Here we assume that Δ\Delta is a constant independent of other parameters that specify HH. The comparison for this case is in Table I. For p=1p=1, we obtain a strict improvement of order N1/3N^{1/3} over the best-known result. For higher values of pp, the improvement appears for larger values of τ/ε\tau/\varepsilon that may scale with NN, e.g., τ/ε=Ω~(Np2+1/(p+1))\tau/\varepsilon=\tilde{\Omega}(N^{p-2+1/(p+1)}). In Supplementary Note 5, we provide a more detailed comparison between our results and the best previous results for product formulas as a function of Δ\Delta and other parameters that specify HH.

A more recent method for Hamiltonian simulation uses a truncated Taylor series expansion of eiHt/rUr=k=0K(iHt/r)k/k!e^{-iHt/r}\approx U_{r}=\sum^{K}_{k=0}(-iHt/r)^{k}/k! BCC+15 . Here, rr is the number of “segments”, and U(t)U(t) is approximated as (Ur)r(U_{r})^{r}. A main advantage of this method is that, unlike product formulas, its complexity in terms of ε\varepsilon is logarithmic, a major advantage if precise computations are needed. The complexity of this method for the low-energy subspace of HH can only be mildly improved. A small Δ\Delta allows for a truncation value KK that is smaller than that for the general case BCC+15 . Nevertheless, the complexity of this method is dominated by rr, which depends on a certain 1-norm H1\|H\|_{1} of HH that is independent of Δ\Delta. Furthermore, quantum signal processing, an approach for Hamiltonian simulation also based on certain polynomial approximations of U(t)U(t), was recently considered for simulation in the low-energy subspace low2017hamiltonian . While the low-energy constraint may also result in some mild (constant) improvement, the overall complexity of quantum signal processing also depends on H1\|H\|_{1}. For local Hamiltonians where k,d=𝒪(1)k,d=\mathcal{O}(1), and for constant Δ\Delta, the overall complexity of these methods is 𝒪~(τN2)\tilde{\mathcal{O}}(\tau N^{2}), where we disregarded logarithmic factors in τ\tau, NN, and 1/ε1/\varepsilon. Our results on product formulas provide an improvement over these methods in various regimes, e.g., when ε\varepsilon is constant.

The obtained complexities are an improvement as long as the energy Δ\Delta of the initial state is sufficiently small. As we discussed, the assumption Hl0H_{l}\geq 0 was used and, while our results readily apply to a large class of spin models, it may be in conflict with ensuring small values of Δ\Delta in some cases. It will be important to understand this in more detail (see Supplementary Note 3), which may be related to the fact that, for general Hamiltonians (Hl0H_{l}\ngeq 0), an improvement in the low-energy simulation could imply an improvement in the high-energy simulation by considering H-H instead. Indeed, certain spin models possess a symmetry that connects the high-energy and low-energy subspaces via a simple transformation. Whether such “high-energy” simulation improvement is possible or not remains open. Additionally, known complexities of product formulas are polynomial in 1/ε1/\varepsilon. This is an issue if precise computations are required as in the case of quantum field theories or QED. Whether this complexity can be improved in terms of precision as in Refs. BCC+14 ; BCC+15 ; LC17 ; low2019well is also open.

Our work is an initial attempt to this problem. We expect to motivate further studies on improved Hamiltonian simulation methods in this setting by refining our analyses, assuming other structures such as interactions that are geometrically local, or improving other simulation approaches.

IV Methods

IV.1 Leakage to high-energy states

A key ingredient for Thm. 1 is a property of local spin systems, where the leakage to high-energy states due to the evolution under any HlH_{l} can be bounded. Let Π>Λ\Pi_{>\Lambda^{\prime}} be the projector into the subspace spanned by eigenstates of energies greater than Λ\Lambda^{\prime}. Then, for a state |ϕ\ket{\phi} that satisfies ΠΛ|ϕ=|ϕ\Pi_{\leq\Lambda}\ket{\phi}=\ket{\phi}, we consider a question on the support of eisHl|ϕe^{-isH_{l}}\ket{\phi} on states with energies greater than Λ\Lambda^{\prime}. This question arises naturally in Hamiltonian complexity and beyond, and Lemma 1 below may be of independent interest. A generalization of this lemma will allow one to address the Hamiltonian simulation problem in the low-energy subspace beyond spin systems.

Lemma 1 (Leakage to high energies).

Let H=l=1LHlH=\sum_{l=1}^{L}H_{l} be a kk-local Hamiltonian of constant degree as above, Hl0H_{l}\geq 0, and ΛΛ0\Lambda^{\prime}\geq\Lambda\geq 0. Then, s\forall\;s\in\mathbb{R} and l\forall\;l,

Π>ΛeisHlΠΛeα1(ΛΛ)/J(eα2J|s|N1),\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-isH_{l}}\Pi_{\leq\Lambda}\|\leq e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}\left(e^{\alpha_{2}J|s|N}-1\right)\;, (4)

where α1\alpha_{1} and α2\alpha_{2} are positive constants.

The proof is in Supplementary Note 1. It follows from a result in Ref. AKL16 on the action of a local interaction term on a quantum state of low-energy, in combination with a series expansion of eisHle^{-isH_{l}}. While the local interaction term could generate support on arbitrarily high-energy states, that support is suppressed by a factor that decays exponentially in ΛΛ\Lambda^{\prime}-\Lambda.

Another key ingredient for proving Thm. 1 is the ability to replace evolutions under the HlH_{l}’s in a product formula by those under their effective low-energy versions (and vice versa) with bounded error. This is addressed by Lemma 2 below, which is a consequence of Lemma 1. The proof is in Supplementary Note 2, where we also provide tighter bounds that depend on Δ\Delta^{\prime}.

Lemma 2.

Let H=l=1LHlH=\sum_{l=1}^{L}H_{l} be a kk-local Hamiltonian of constant degree as above, Hl0H_{l}\geq 0, and ΔΛΛ0\Delta^{\prime}\geq\Lambda^{\prime}\geq\Lambda\geq 0. Then, s\forall\;s\in\mathbb{R} and l\forall\;l,

ΠΛ(eisH¯l\displaystyle\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}} eisHl)ΠΛ\displaystyle-e^{-isH_{l}})\Pi_{\leq\Lambda}\|
eα1(ΛΛ)/J(eα2J|s|N1)\displaystyle\leq e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}(e^{\alpha_{2}J|s|N}-1) (5)

and

Π>ΛeisH¯lΠΛ3eα1(ΛΛ)/J(eα2J|s|N1),\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-is\bar{H}_{l}}\Pi_{\leq\Lambda}\|\leq 3e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}(e^{\alpha_{2}J|s|N}-1)\;, (6)

where α1\alpha_{1} and α2\alpha_{2} are positive constants.

IV.2 Relevance to the main result

The consequences of these lemmas for Hamiltonian simulation are many-fold and we only sketch those that are relevant for Thm. 1. Consider any product formula of the form W=j=1qeisjHljW=\prod_{j=1}^{q}e^{-is_{j}H_{l_{j}}}. Then, there exists a sequence of energies ΛqΛ0=Δ\Lambda_{q}\geq\ldots\geq\Lambda_{0}=\Delta such that the action of WW on the initial low-energy state |ψ\ket{\psi} can be well approximated by that of W𝚲=j=1qΠΛjeisjHljW^{\bf\Lambda}=\prod_{j=1}^{q}\Pi_{\leq\Lambda_{j}}e^{-is_{j}H_{l_{j}}} on the same state. Furthermore, each ΠΛjeisjHlj\Pi_{\leq\Lambda_{j}}e^{-is_{j}H_{l_{j}}} in W𝚲W^{\bf\Lambda} can be replaced by ΠΛjeisjH¯lj\Pi_{\leq\Lambda_{j}}e^{-is_{j}\bar{H}_{l_{j}}} and later by eisjH¯lje^{-is_{j}\bar{H}_{l_{j}}} within the same error order, as long as ΛqΔ\Lambda_{q}\leq\Delta^{\prime}.

In particular, for sufficiently small evolution times sjs_{j} and Δh\Delta\ll h, the resulting effective norm satisfies Δh\Delta^{\prime}\ll h for local Hamiltonians. This is formalized by several corollaries in Supplementary Note 3. Starting from WW, we can construct the product formula W¯=j=1qeisjH¯lj\bar{W}=\prod_{j=1}^{q}e^{-is_{j}\bar{H}_{l_{j}}}. Lemmas 1 and 2 imply that both product formulas produce approximately the same state when acting on |ψ\ket{\psi}, for a suitable choice of Δ\Delta^{\prime} as in Thm. 1. If W¯\bar{W} is a product formula approximation of U¯(s)=eisH¯\bar{U}(s)=e^{-is\bar{H}}, it follows that U(s)|ψ=U¯(s)|ψW¯|ψW|ψU(s)\ket{\psi}=\bar{U}(s)\ket{\psi}\approx\bar{W}\ket{\psi}\approx W\ket{\psi}.

V Data Availability statement

All relevant data used for Fig. 1 are available from the authors.

VI Code Availability statement

The code for the simulation results in Fig. 1 is available from the authors.

VII Acknowledgements

We acknowledge support from the LDRD program at LANL, the U.S. Department of Energy, Office of Science, High Energy Physics and Office of Advanced Scientific Computing Research, under the QuantISED grant KA2401032 and Accelerated Research in Quantum Computing (ARQC). Los Alamos National Laboratory is managed by Triad National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under Contract No. 89233218CNA000001. This work is also supported by the Quantum Science Center (QSC), a National Quantum Information Science Research Center of the U.S. Department of Energy (DOE).

VIII Author Contributions

All authors contributed equally to this work.

IX Competing Interests

The authors declare no competing interests.

X Figure legends

Figure 1: Worst case vs. low-energy Trotter errors: Errors induced by product formulas for a 2x6 Heisenberg spin-1/2 model. The Hamiltonian is H=i,jXiXj+YiYj+ZiZjH=-\sum_{\langle i,j\rangle}X_{i}X_{j}+Y_{i}Y_{j}+Z_{i}Z_{j}, where XiX_{i}, YiY_{i}, and ZiZ_{i} are the Pauli operators for the iith spin, and H=H1+H2H=H_{1}+H_{2}, where H1H_{1} and H2H_{2} are the interaction terms represented by blue and red bonds, respectively. (a) The evolution operator for time ss, U(s)=eisHU(s)=e^{-isH}, is approximated by the first order product formula W1(s)=eisH1eisH2W_{1}(s)=e^{-isH_{1}}e^{-isH_{2}}. The plot shows the largest approximation errors when acting on various low-energy subspaces associated with increasing energies, labeled by n=1,50,150,200n=1,50,150,200, and in the worst case. (b) Similar results for when the evolution operator U(s)=eisHU(s)=e^{-isH} is approximated by the second order product formula W2(s)=eisH1/2eisH2eisH1/2W_{2}(s)=e^{-isH_{1}/2}e^{-isH_{2}}e^{-isH_{1}/2}.

Table I: Improvements of low-energy simulation: Comparison between the best-known complexity CST+19 and the complexity of low-energy simulation for pp-th order product formulas. Results show the Trotter number for constant Δ\Delta and local Hamiltonians on NN spins with constant degree and strength bounded by JJ, and τ=|t|J\tau=|t|J. ε\varepsilon is the approximation error. The 𝒪~\tilde{\mathcal{O}} notation hides polylogarithmic factors in τ/ε\tau/\varepsilon.

Table II: Notation: The parameters of the Hamiltonian (local and constant-degree) and product formula simulation.

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Supplementary Information

In the following, we let HH be a kk-local Hamiltonian of NN spins, where each interaction term involves at most k>0k>0 spins. We will write H=l=1LHlH=\sum_{l=1}^{L}H_{l}, where each HlH_{l} is a sum of at most MM kk-local and commuting interaction terms. The HlH_{l}’s may be obtained via graph coloring [32], where a graph can be constructed with vertices that are labeled according to the subset of spins in each interaction term and the edges connect vertices associated with the same spins, but more efficient constructions may be possible. Indeed, in many interesting examples such as spins on the square lattice, HH is already given in the desired form. The degree of HH, i.e., the highest number of interaction terms that act non-trivially on any spin, is d>0d>0. The strength of each local interaction term is bounded by J>0J>0, hence HlJM\|H_{l}\|\leq JM and HJML\|H\|\leq JML. Throughout this paper, .\|.\| refers to the spectral norm (largest eigenvalue for positive semidefinite and Hermitian operators). The total number of local terms in HH is then upper bounded by MLML and dNdN. We will assume that HH contains exactly MLML terms and thus NMLdNN\leq ML\leq dN with no loss of generality (e.g., we can add or subtract trivial terms to HlH_{l} and each spin appears, at least, in one term). Furthermore, following the coloring procedure described above, we may assume Lkd+1L\leq kd+1 [32].

For ΛΛ0\Lambda^{\prime}\geq\Lambda\geq 0, the operators ΠΛ\Pi_{\leq\Lambda} and Π>Λ\Pi_{>\Lambda^{\prime}} are the projectors into the subspaces spanned by the eigenstates of HH with energies (eigenvalues) at most Λ\Lambda and larger than Λ\Lambda^{\prime}, respectively. For a given Δ0\Delta^{\prime}\geq 0, the Δ\Delta^{\prime}-effective (or simply effective) Hamiltonians are then defined as H¯=ΠΔHΠΔ\bar{H}=\Pi_{\leq\Delta^{\prime}}H\Pi_{\leq\Delta^{\prime}}, H¯l=ΠΔHlΠΔ\bar{H}_{l}=\Pi_{\leq\Delta^{\prime}}H_{l}\Pi_{\leq\Delta^{\prime}}, and H¯=l=1LH¯l\bar{H}=\sum_{l=1}^{L}\bar{H}_{l}. We assume Hl0H_{l}\geq 0, and thus H¯l0\bar{H}_{l}\geq 0, H¯lH¯=Δ\|\bar{H}_{l}\|\leq\|\bar{H}\|=\Delta^{\prime}.

Supplementary Notes

Supplementary Note 1: Proof of Lemma 1

We employ Theorem 2.1 in Ref. [37] that, for an operator AA, states

Π>ΛAΠΛAeλ(ΛΛ2R).\displaystyle\|\Pi_{>\Lambda^{\prime}}A\Pi_{\leq\Lambda}\|\leq\|A\|\cdot e^{-\lambda(\Lambda^{\prime}-\Lambda-2R)}\;. (7)

Here, λ=1/(2gk)\lambda=1/(2gk), where gg is an upper bound on the sum of the strengths of the interactions associated with any spin. In our case, we take g=dJg=dJ and λ=1/(2Jdk)\lambda=1/(2Jdk). If EAE_{A} is the subset of local interaction terms in HH that do not commute with AA, RR is the sum of the strengths of the terms in EAE_{A}. For any HlH_{l}, we note that (Hl)n(H_{l})^{n} is a sum of, at most, MnM^{n} terms, each of strength bounded by JnJ^{n} and containing, at most, knkn spins. For each such term, RJdknR\leq Jdkn, and we obtain

Π>Λ(Hl)nΠΛ\displaystyle\|\Pi_{>\Lambda^{\prime}}(H_{l})^{n}\Pi_{\leq\Lambda}\| (MJ)ne12Jdk(ΛΛ2Jdkn)\displaystyle\leq(MJ)^{n}e^{-\frac{1}{2Jdk}(\Lambda^{\prime}-\Lambda-2Jdkn)} (8)
=(eMJ)ne12Jdk(ΛΛ).\displaystyle=(eMJ)^{n}e^{-\frac{1}{2Jdk}(\Lambda^{\prime}-\Lambda)}\;. (9)

We now consider the Taylor series expansion of the exponential,

eisHl=n=0(isHl)nn!.\displaystyle e^{-isH_{l}}=\sum_{n=0}^{\infty}\frac{(-isH_{l})^{n}}{n!}\;. (10)

The triangle inequality and Eq. (9) imply

Π>ΛeisHlΠΛ\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-isH_{l}}\Pi_{\leq\Lambda}\| n=1|s|nΠ>Λ(Hl)nΠΛn!\displaystyle\leq\sum_{n=1}^{\infty}\frac{|s|^{n}\|\Pi_{>\Lambda^{\prime}}(H_{l})^{n}\Pi_{\leq\Lambda}\|}{n!} (11)
e12Jdk(ΛΛ)n=1(|s|eMJ)nn!\displaystyle\leq e^{-\frac{1}{2Jdk}(\Lambda^{\prime}-\Lambda)}\sum_{n=1}^{\infty}\frac{(|s|eMJ)^{n}}{n!} (12)
=e12Jdk(ΛΛ)(e|s|eMJ1)\displaystyle=e^{-\frac{1}{2Jdk}(\Lambda^{\prime}-\Lambda)}\left(e^{|s|eMJ}-1\right) (13)
=eλ(ΛΛ)(eα|s|M1),\displaystyle=e^{-\lambda(\Lambda^{\prime}-\Lambda)}\left(e^{\alpha|s|M}-1\right)\;, (14)

where α=eJ\alpha=eJ.

In particular, when kk and dd are constants, we have αMeJdN\alpha M\leq eJdN, and Eq. (14) implies

Π>ΛeisHlΠΛ\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-isH_{l}}\Pi_{\leq\Lambda}\| eα1(ΛΛ)/J(eα2J|s|N1),\displaystyle\leq e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}\left(e^{\alpha_{2}J|s|N}-1\right)\;, (15)

where α1=1/(2dk)\alpha_{1}=1/(2dk) and α2=ed\alpha_{2}=ed are also positive constants.

Supplementary Note 2: Proof of Lemma 2

To prove the first result, we will use the identity

eisH¯leisHl=i0s𝑑sei(ss)H¯l(H¯lHl)eisHl.\displaystyle e^{-is\bar{H}_{l}}-e^{-isH_{l}}=-i\int_{0}^{s}ds^{\prime}e^{-i(s-s^{\prime})\bar{H}_{l}}(\bar{H}_{l}-H_{l})e^{-is^{\prime}H_{l}}\;. (16)

We note that, from the assumptions, ΠΛ=ΠΛΠΔ=ΠΔΠΛ\Pi_{\leq\Lambda^{\prime}}=\Pi_{\leq\Lambda^{\prime}}\Pi_{\leq\Delta^{\prime}}=\Pi_{\leq\Delta^{\prime}}\Pi_{\leq\Lambda^{\prime}} and [ΠΔ,eisH¯l]=0[\Pi_{\leq\Delta^{\prime}},e^{-is\bar{H}_{l}}]=0 for all ss. Then, we can express ΠΛ(eisH¯leisHl)ΠΛ\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda} as

iΠΛ(0s𝑑sei(ss)H¯lΠΔ(H¯lHl)(ΠΔ+Π>Δ)eisHl)ΠΛ.\displaystyle-i\Pi_{\leq\Lambda^{\prime}}\left(\int_{0}^{s}ds^{\prime}e^{-i(s-s^{\prime})\bar{H}_{l}}\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})(\Pi_{\leq\Delta^{\prime}}+\Pi_{>\Delta^{\prime}})e^{-is^{\prime}H_{l}}\right)\Pi_{\leq\Lambda}\;.

We can simplify this expression since ΠΔ(H¯lHl)ΠΔ=0\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})\Pi_{\leq\Delta^{\prime}}=0. Observing that ΠΛ=1\|\Pi_{\leq\Lambda^{\prime}}\|=1, ei(ss)H¯l=1\|e^{-i(s-s^{\prime})\bar{H}_{l}}\|=1, and using standard properties of the spectral norm, we obtain

ΠΛ(eisH¯leisHl)ΠΛ\displaystyle\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\| 0|s|𝑑sΠΔ(H¯lHl)Π>ΔΠ>ΔeisHlΠΛ\displaystyle\leq\int_{0}^{|s|}ds^{\prime}\;\|\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})\Pi_{>\Delta^{\prime}}\|\|\Pi_{>\Delta^{\prime}}e^{-is^{\prime}H_{l}}\Pi_{\leq\Lambda}\| (17)
ΠΔ(H¯lHl)Π>Δeλ(ΔΛ)0|s|𝑑s(eαsM1)\displaystyle\leq\|\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})\Pi_{>\Delta^{\prime}}\|e^{-\lambda(\Delta^{\prime}-\Lambda)}\int_{0}^{|s|}ds^{\prime}\;(e^{\alpha s^{\prime}M}-1) (18)
=ΠΔ(H¯lHl)Π>Δeλ(ΔΛ)(eα|s|M1αM|s|)αM,\displaystyle=\|\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})\Pi_{>\Delta^{\prime}}\|\frac{e^{-\lambda(\Delta^{\prime}-\Lambda)}(e^{\alpha|s|M}-1-\alpha M|s|)}{\alpha M}\;, (19)

where λ=1/(2Jdk)\lambda=1/(2Jdk), α=eJ\alpha=eJ, and Eq. (18) follows from Lemma 1. Note that

ΠΔ(H¯lHl)Π>Δ\displaystyle\|\Pi_{\leq\Delta^{\prime}}(\bar{H}_{l}-H_{l})\Pi_{>\Delta^{\prime}}\| =ΠΔHlΠ>Δ\displaystyle=\|\Pi_{\leq\Delta^{\prime}}H_{l}\Pi_{>\Delta^{\prime}}\| (20)
Hl\displaystyle\leq\|H_{l}\| (21)
JM\displaystyle\leq JM (22)
αM.\displaystyle\leq\alpha M\;. (23)

We obtain

ΠΛ(eisH¯leisHl)ΠΛ\displaystyle\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\| eλ(ΔΛ)(eα|s|M1αM|s|).\displaystyle\leq e^{-\lambda(\Delta^{\prime}-\Lambda)}(e^{\alpha|s|M}-1-\alpha M|s|)\;. (24)

To simplify our analysis, we will use a looser upper bound in the statement of the Lemma 2, which follows directly from Eq. (24) and ΔΛ\Delta^{\prime}\geq\Lambda^{\prime}:

ΠΛ(eisH¯leisHl)ΠΛ\displaystyle\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\| eλ(ΛΛ)(eα|s|M1).\displaystyle\leq e^{-\lambda(\Lambda^{\prime}-\Lambda)}(e^{\alpha|s|M}-1)\;. (25)

In particular, when kk and dd are constants, we have αMeJdN\alpha M\leq eJdN, and Eq. (25) implies

ΠΛ(eisH¯leisHl)ΠΛ\displaystyle\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\| eα1(ΛΛ)/J(eα2J|s|N1),\displaystyle\leq e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}(e^{\alpha_{2}J|s|N}-1)\;, (26)

where α1=1/(2dk)\alpha_{1}=1/(2dk) and α2=ed\alpha_{2}=ed are also constants.

To prove the second result, we use Lemma 1 together with Eq. (25) and standard properties of the spectral norm, and obtain

Π>ΛeisH¯lΠΛ\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-is\bar{H}_{l}}\Pi_{\leq\Lambda}\| =ΠΔΠ>ΛeisH¯lΠΛ\displaystyle=\|\Pi_{\leq\Delta^{\prime}}\Pi_{>\Lambda^{\prime}}e^{-is\bar{H}_{l}}\Pi_{\leq\Lambda}\| (27)
=ΠΔΠ>Λ(eisH¯leisHl+eisHl)ΠΛ\displaystyle=\|\Pi_{\leq\Delta^{\prime}}\Pi_{>\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}}+e^{-isH_{l}})\Pi_{\leq\Lambda}\| (28)
ΠΔΠ>Λ(eisH¯leisHl)ΠΛ+eλ(ΛΛ)(eα|s|M1)\displaystyle\leq\|\Pi_{\leq\Delta^{\prime}}\Pi_{>\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\|+e^{-\lambda(\Lambda^{\prime}-\Lambda)}(e^{\alpha|s|M}-1) (29)
=(ΠΔΠΛ)(eisH¯leisHl)ΠΛ+eλ(ΛΛ)(eα|s|M1)\displaystyle=\|(\Pi_{\leq\Delta^{\prime}}-\Pi_{\leq\Lambda^{\prime}})(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\|+e^{-\lambda(\Lambda^{\prime}-\Lambda)}(e^{\alpha|s|M}-1) (30)
ΠΔ(eisH¯leisHl)ΠΛ+ΠΛ(eisH¯leisHl)ΠΛ\displaystyle\leq\|\Pi_{\leq\Delta^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\|+\|\Pi_{\leq\Lambda^{\prime}}(e^{-is\bar{H}_{l}}-e^{-isH_{l}})\Pi_{\leq\Lambda}\|
+eλ(ΛΛ)(eα|s|M1)\displaystyle\quad+e^{-\lambda(\Lambda^{\prime}-\Lambda)}(e^{\alpha|s|M}-1) (31)
(eλ(ΔΛ)+2eλ(ΛΛ))(eα|s|M1)\displaystyle\leq(e^{-\lambda(\Delta^{\prime}-\Lambda)}+2e^{-\lambda(\Lambda^{\prime}-\Lambda)})(e^{\alpha|s|M}-1) (32)
3eλ(ΛΛ)(eα|s|N1).\displaystyle\leq 3e^{-\lambda(\Lambda^{\prime}-\Lambda)}(e^{\alpha|s|N}-1)\;. (33)

In particular, when kk and dd are constants, we have αMeJdN\alpha M\leq eJdN, and Eq. (33) implies

Π>ΛeisH¯lΠΛ\displaystyle\|\Pi_{>\Lambda^{\prime}}e^{-is\bar{H}_{l}}\Pi_{\leq\Lambda}\| 3eα1(ΛΛ)/J(eα2J|s|M1),\displaystyle\leq 3e^{-\alpha_{1}(\Lambda^{\prime}-\Lambda)/J}(e^{\alpha_{2}J|s|M}-1)\;, (34)

where α1=1/(2dk)\alpha_{1}=1/(2dk) and α2=ed\alpha_{2}=ed are also positive constants.

Supplementary Note 3: Approximation errors for product formulas

We consider generic product formulas of q>1q>1 terms,

W(𝐬)\displaystyle W({\bf s}) =eisqHlqeis2Hl2eis1Hl1,\displaystyle=e^{-is_{q}H_{l_{q}}}\cdots e^{-is_{2}H_{l_{2}}}e^{-is_{1}H_{l_{1}}}\;, (35)
W¯(𝐬)\displaystyle\bar{W}({\bf s}) =eisqH¯lqeis2H¯l2eis1H¯l1,\displaystyle=e^{-is_{q}\bar{H}_{l_{q}}}\cdots e^{-is_{2}\bar{H}_{l_{2}}}e^{-is_{1}\bar{H}_{l_{1}}}\;, (36)

where 𝐬=s1,,sq{\bf s}=s_{1},\ldots,s_{q}, sjs_{j}\in\mathbb{R}, and 1ljL1\leq l_{j}\leq L. We also define

W𝚲(𝐬)\displaystyle W^{\bf\Lambda}({\bf s}) =ΠΛqeisqHlqΠΛ2eis2Hl2ΠΛ1eis1Hl1,\displaystyle=\Pi_{\leq\Lambda_{q}}e^{-is_{q}H_{l_{q}}}\cdots\Pi_{\leq\Lambda_{2}}e^{-is_{2}H_{l_{2}}}\Pi_{\leq\Lambda_{1}}e^{-is_{1}H_{l_{1}}}\;, (37)
W¯𝚲(𝐬)\displaystyle\bar{W}^{\bf\Lambda}({\bf s}) =ΠΛqeisqH¯lqΠΛ2eis2H¯l2ΠΛ1eis1H¯l1,\displaystyle=\Pi_{\leq\Lambda_{q}}e^{-is_{q}\bar{H}_{l_{q}}}\cdots\Pi_{\leq\Lambda_{2}}e^{-is_{2}\bar{H}_{l_{2}}}\Pi_{\leq\Lambda_{1}}e^{-is_{1}\bar{H}_{l_{1}}}\;, (38)

where 𝚲=(Λ1,,Λq){\bf\Lambda}=(\Lambda_{1},\ldots,\Lambda_{q}), and Λj0\Lambda_{j}\geq 0 for all jj. Using Lemmas 1 and  2, we now prove a number of results (corollaries) on the approximation errors for these product formulas that will be required for the proof of Thm. 1. First, we will prove that W(𝐬)W({\bf s}) produces approximately the same state as W𝚲(𝐬)W^{\bf\Lambda}({\bf s}) when the initial state is supported on the low-energy subspace and for a suitable choice of 𝚲{\bf\Lambda}. Next, we will show that the approximation error from replacing W𝚲(𝐬)W^{\bf\Lambda}({\bf s}) by W¯𝚲(𝐬)\bar{W}^{\bf\Lambda}({\bf s}) is of the same order as that of the first approximation for a suitable choice of Δ\Delta^{\prime} and effective Hamiltonians. A similar result is obtained if we further replace W¯𝚲(𝐬)\bar{W}^{\bf\Lambda}({\bf s}) by W¯(𝐬)\bar{W}({\bf s}). Combining these results we show that the state produced by W(𝐬)W({\bf s}) approximates that produced by W¯(𝐬)\bar{W}({\bf s}) for a suitable choice of Δ\Delta^{\prime}.

Corollary 1.

Let δ>0\delta>0, Δ0\Delta\geq 0, λ=1/(2Jdk)\lambda=1/(2Jdk), and α=eJ\alpha=eJ. Then, if 𝚲{\bf\Lambda} satisfies ΛjΛj11λ(α|sj|M+log(q/δ))\Lambda_{j}-\Lambda_{j-1}\geq\frac{1}{\lambda}(\alpha|s_{j}|M+\log(q/\delta)) and Λ0=Δ\Lambda_{0}=\Delta,

(W𝚲(𝐬)W(𝐬))ΠΔδ.\displaystyle\|(W^{\bf\Lambda}({\bf s})-W({\bf s}))\Pi_{\leq\Delta}\|\leq\delta\;. (39)
Proof.

We use the identity

W(𝐬)W𝚲(𝐬)\displaystyle W({\bf s})-W^{\bf\Lambda}({\bf s}) =Π>ΛqeisqHlqΠΛq1ΠΛ1eis1Hl1+\displaystyle=\Pi_{>\Lambda_{q}}e^{-is_{q}H_{l_{q}}}\Pi_{\leq\Lambda_{q-1}}\cdots\Pi_{\leq\Lambda_{1}}e^{-is_{1}H_{l_{1}}}+\cdots
+eisqHlqΠ>Λ2eis2Hl2ΠΛ1eis1Hl1+eisqHlqeis2Hl2Π>Λ1eis1Hl1.\displaystyle+e^{-is_{q}H_{l_{q}}}\cdots\Pi_{>\Lambda_{2}}e^{-is_{2}H_{l_{2}}}\Pi_{\leq\Lambda_{1}}e^{-is_{1}H_{l_{1}}}+e^{-is_{q}H_{l_{q}}}\cdots e^{-is_{2}H_{l_{2}}}\Pi_{>\Lambda_{1}}e^{-is_{1}H_{l_{1}}}\;. (40)

Since eisjHlj=ΠΛj=1\|e^{-is_{j}H_{l_{j}}}\|=\|\Pi_{\leq\Lambda_{j}}\|=1, we can use the triangle inequality and Lemma 1 to obtain

(W𝚲(𝐬)W(𝐬))ΠΔ\displaystyle\|(W^{\bf\Lambda}({\bf s})-W({\bf s}))\Pi_{\leq\Delta}\| j=1qΠ>ΛjeisjHljΠΛj1\displaystyle\leq\sum_{j=1}^{q}\|\Pi_{>\Lambda_{j}}e^{-is_{j}H_{l_{j}}}\Pi_{\leq\Lambda_{j-1}}\| (41)
j=1qeλ(ΛjΛj1)(eα|sj|M1)\displaystyle\leq\sum_{j=1}^{q}e^{-\lambda(\Lambda_{j}-\Lambda_{j-1})}(e^{\alpha|s_{j}|M}-1) (42)
j=1qδ/q\displaystyle\leq\sum_{j=1}^{q}\delta/q (43)
=δ.\displaystyle=\delta\;. (44)

Corollary 2.

Let δ>0\delta>0, Δ0\Delta\geq 0, λ=1/(2Jdk)\lambda=1/(2Jdk), and α=eJ\alpha=eJ. Then, if 𝚲{\bf\Lambda} satisfies ΛjΛj11λ(α|sj|M+log(q/δ))\Lambda_{j}-\Lambda_{j-1}\geq\frac{1}{\lambda}(\alpha|s_{j}|M+\log(q/\delta)), Λ0=Δ\Lambda_{0}=\Delta, and ΔΛq\Delta^{\prime}\geq\Lambda_{q},

(W¯𝚲(𝐬)W𝚲(𝐬))ΠΔδ.\displaystyle\|(\bar{W}^{\bf\Lambda}({\bf s})-W^{\bf\Lambda}({\bf s}))\Pi_{\leq\Delta}\|\leq\delta\;. (45)
Proof.

We use the identity

W¯𝚲(𝐬)W𝚲(𝐬)=\displaystyle\bar{W}^{\bf\Lambda}({\bf s})-W^{\bf\Lambda}({\bf s})= ΠΛq(eisqH¯lqeisqHlq)ΠΛq1ΠΛ1eis1H¯l1+\displaystyle\Pi_{\leq\Lambda_{q}}(e^{-is_{q}\bar{H}_{l_{q}}}-e^{-is_{q}H_{l_{q}}})\Pi_{\leq\Lambda_{q-1}}\cdots\Pi_{\leq\Lambda_{1}}e^{-is_{1}\bar{H}_{l_{1}}}+\ldots
+ΠΛqeisqHlqΠΛq1ΠΛ1(eis1H¯l1eis1Hl1).\displaystyle+\Pi_{\leq\Lambda_{q}}e^{-is_{q}H_{l_{q}}}\Pi_{\leq\Lambda_{q-1}}\cdots\Pi_{\leq\Lambda_{1}}(e^{-is_{1}\bar{H}_{l_{1}}}-e^{-is_{1}H_{l_{1}}})\;. (46)

Since eisjHlj=eisjH¯lj=ΠΛj=1\|e^{-is_{j}H_{l_{j}}}\|=\|e^{-is_{j}\bar{H}_{l_{j}}}\|=\|\Pi_{\leq\Lambda_{j}}\|=1, we can use the triangle inequality and Eq. (25) in Lemma 2 to obtain

(W¯𝚲(𝐬)W𝚲(𝐬))ΠΔ\displaystyle\|(\bar{W}^{\bf\Lambda}({\bf s})-W^{\bf\Lambda}({\bf s}))\Pi_{\leq\Delta}\| j=1qΠΛj(eisjH¯ljeisjHlj)ΠΛj1\displaystyle\leq\sum_{j=1}^{q}\|\Pi_{\leq\Lambda_{j}}(e^{-is_{j}\bar{H}_{l_{j}}}-e^{-is_{j}H_{l_{j}}})\Pi_{\leq\Lambda_{j-1}}\| (47)
j=1qeλ(ΛjΛj1)(eα|sj|M1)\displaystyle\leq\sum_{j=1}^{q}e^{-\lambda(\Lambda_{j}-\Lambda_{j-1})}(e^{\alpha|s_{j}|M}-1) (48)
j=1qδ/q\displaystyle\leq\sum_{j=1}^{q}\delta/q (49)
=δ.\displaystyle=\delta\;. (50)

Corollary 3.

Let δ>0\delta>0, Δ0\Delta\geq 0, λ=1/(2Jdk)\lambda=1/(2Jdk), and α=eJ\alpha=eJ. Then, if 𝚲{\bf\Lambda} satisfies ΛjΛj11λ(α|sj|M+log(q/δ))\Lambda_{j}-\Lambda_{j-1}\geq\frac{1}{\lambda}(\alpha|s_{j}|M+\log(q/\delta)), Λ0=Δ\Lambda_{0}=\Delta, and ΔΛq\Delta^{\prime}\geq\Lambda_{q},

(W¯(𝐬)W¯𝚲(𝐬))ΠΔ3δ.\displaystyle\|(\bar{W}({\bf s})-\bar{W}^{\bf\Lambda}({\bf s}))\Pi_{\leq\Delta}\|\leq 3\delta\;. (51)
Proof.

We use the identity

W¯(𝐬)W¯𝚲(𝐬)\displaystyle\bar{W}({\bf s})-\bar{W}^{\bf\Lambda}({\bf s}) =Π>ΛqeisqH¯lqΠΛq1ΠΛ1eis1H¯l1+\displaystyle=\Pi_{>\Lambda_{q}}e^{-is_{q}\bar{H}_{l_{q}}}\Pi_{\leq\Lambda_{q-1}}\cdots\Pi_{\leq\Lambda_{1}}e^{-is_{1}\bar{H}_{l_{1}}}+\cdots
+eisqH¯lqΠ>Λ2eis2H¯l2ΠΛ1eis1H¯l1+eisqH¯lqeis2H¯l2Π>Λ1eis1H¯l1.\displaystyle+e^{-is_{q}\bar{H}_{l_{q}}}\cdots\Pi_{>\Lambda_{2}}e^{-is_{2}\bar{H}_{l_{2}}}\Pi_{\leq\Lambda_{1}}e^{-is_{1}\bar{H}_{l_{1}}}+e^{-is_{q}\bar{H}_{l_{q}}}\cdots e^{-is_{2}\bar{H}_{l_{2}}}\Pi_{>\Lambda_{1}}e^{-is_{1}\bar{H}_{l_{1}}}\;. (52)

Since eisjH¯lj=ΠΛj=1\|e^{-is_{j}\bar{H}_{l_{j}}}\|=\|\Pi_{\leq\Lambda_{j}}\|=1, we can use the triangle inequality and Eq. (33) in Lemma 2 to obtain

(W¯(𝐬)W¯𝚲(𝐬))ΠΔ\displaystyle\|(\bar{W}({\bf s})-\bar{W}^{{\bf\Lambda}}({\bf s}))\Pi_{\leq\Delta}\| j=1qΠ>ΛjeisjH¯ljΠΛj1\displaystyle\leq\sum_{j=1}^{q}\|\Pi_{>\Lambda_{j}}e^{-is_{j}\bar{H}_{l_{j}}}\Pi_{\leq\Lambda_{j-1}}\| (53)
j=1q3eλ(ΛjΛj1)(eα|sj|M1)\displaystyle\leq\sum^{q}_{j=1}3e^{-\lambda(\Lambda_{j}-\Lambda_{j-1})}(e^{\alpha|s_{j}|M}-1) (54)
3j=1qδ/q\displaystyle\leq 3\sum^{q}_{j=1}\delta/q (55)
=3δ.\displaystyle=3\delta\;. (56)

Corollary 4.

Let δ>0\delta>0, Δ0\Delta\geq 0, λ=1/(2Jdk)\lambda=1/(2Jdk), α=eJ\alpha=eJ, and |𝐬|=j=1q|sj||{\bf s}|=\sum_{j=1}^{q}|s_{j}|. Then, if ΔΔ+1λ(α|𝐬|M+qlog(q/δ))\Delta^{\prime}\geq\Delta+\frac{1}{\lambda}\left(\alpha|{\bf s}|M+q\log(q/\delta)\right),

(W¯(𝐬)W(𝐬))ΠΔ5δ.\displaystyle\|(\bar{W}({\bf s})-W({\bf s}))\Pi_{\leq\Delta}\|\leq 5\delta\;. (57)
Proof.

We define the energies ΛqΛ0=Δ\Lambda_{q}\geq\ldots\geq\Lambda_{0}=\Delta via

ΛjΛj1=1λ(α|sj|M+log(q/δ)).\displaystyle\Lambda_{j}-\Lambda_{j-1}=\frac{1}{\lambda}(\alpha|s_{j}|M+\log(q/\delta))\;. (58)

In particular, ΔΛq=Δ+1λ(α|𝐬|M+qlog(q/δ))\Delta^{\prime}\geq\Lambda_{q}=\Delta+\frac{1}{\lambda}\left(\alpha|{\bf{s}}|M+q\log(q/\delta)\right). We use the identity

W¯(𝐬)W(𝐬)=(W¯(𝐬)W¯𝚲(𝐬))+(W¯𝚲(𝐬)W𝚲(𝐬))+(W𝚲(𝐬))W(𝐬)).\displaystyle\bar{W}({\bf s})-W({\bf s})=(\bar{W}({\bf s})-\bar{W}^{{\bf\Lambda}}({\bf s}))+(\bar{W}^{{\bf\Lambda}}({\bf s})-W^{{\bf\Lambda}}({\bf s}))+(W^{{\bf\Lambda}}({\bf s}))-W({\bf s}))\;. (59)

The triangle inequality and Corollaries 32, and 1 imply

(W¯(𝐬)\displaystyle\|(\bar{W}({\bf s})- W(𝐬))ΠΔ\displaystyle W({\bf s}))\Pi_{\leq\Delta}\|
(W¯(𝐬)W¯𝚲(𝐬))ΠΔ+(W¯𝚲(𝐬)W𝚲(𝐬))ΠΔ+(W𝚲(𝐬))W(𝐬))ΠΔ\displaystyle\leq\|(\bar{W}({\bf s})-\bar{W}^{{\bf\Lambda}}({\bf s}))\Pi_{\leq\Delta}\|+\|(\bar{W}^{{\bf\Lambda}}({\bf s})-W^{{\bf\Lambda}}({\bf s}))\Pi_{\leq\Delta}\|+\|(W^{{\bf\Lambda}}({\bf s}))-W({\bf s}))\Pi_{\leq\Delta}\| (60)
3δ+δ+δ\displaystyle\leq 3\delta+\delta+\delta (61)
=5δ.\displaystyle=5\delta\;. (62)

To prove the previous corollaries, we often used (eα|sj|M1)eα|sj|M(e^{\alpha|s_{j}|M}-1)\leq e^{\alpha|s_{j}|M}, but we note that a different upper bound such as (eα|sj|M1)α|sj|Meα|sj|M(e^{\alpha|s_{j}|M}-1)\leq\alpha|s_{j}|Me^{\alpha|s_{j}|M} may provide improved results (e.g., a smaller value of Δ\Delta^{\prime} in Cor. 4), especially if α|sj|M1\alpha|s_{j}|M\ll 1. However, while this other upper bound could be used to improve the constants hidden by the 𝒪\mathcal{O} notation in the complexity of our method, we were unable to improve its asymptotic scaling from using (eα|sj|M1)α|sj|Meα|sj|M(e^{\alpha|s_{j}|M}-1)\leq\alpha|s_{j}|Me^{\alpha|s_{j}|M}.

Proof of Thm. 1

For some ΔΔ0\Delta^{\prime}\geq\Delta\geq 0, let U¯(s)=eisH¯\bar{U}(s)=e^{-is\bar{H}} be the evolution operator with the effective Hamiltonian and W¯p(s)\bar{W}_{p}(s), p1p\geq 1, be the corresponding pp-th order product formula obtained by replacing HlH¯lH_{l}\rightarrow\bar{H}_{l} in Wp(s)W_{p}(s) of Eq. 1. Since the condition Hl0H_{l}\geq 0 implies H¯lΔ\|\bar{H}_{l}\|\leq\Delta^{\prime}, we obtain

(U¯(s)W¯p(s))ΠΔ\displaystyle\|(\bar{U}(s)-\bar{W}_{p}(s))\Pi_{\leq\Delta}\| U¯(s)W¯p(s)\displaystyle\leq\|\bar{U}(s)-\bar{W}_{p}(s)\| (63)
ϵ(Δ),\displaystyle\leq\epsilon(\Delta^{\prime})\;, (64)

where ϵ(Δ)=γ(LΔ|s|)p+1\epsilon(\Delta^{\prime})=\gamma(L\Delta^{\prime}|s|)^{p+1} is an upper bound of the error induced by product formulas using effective operators and γ=𝒪(1)\gamma=\mathcal{O}(1) is a constant [23]. This error bound grows with Δ\Delta^{\prime}. It does not exploit any structure of the effective Hamiltonians so it may be possible to improve it under further constraints.

Additionally,

(U(s)U¯(s))ΠΔ=0,\displaystyle\|(U(s)-\bar{U}(s))\Pi_{\leq\Delta}\|=0\;, (65)

and then

(U(s)W¯p(s))ΠΔ\displaystyle\|(U(s)-\bar{W}_{p}(s))\Pi_{\leq\Delta}\| ϵ(Δ).\displaystyle\leq\epsilon(\Delta^{\prime})\;. (66)

The other contribution to the error is due to Cor. 4, which can be turned around to obtain a bound on the error that depends on Δ\Delta^{\prime}. Let λ=1/(2Jdk)\lambda=1/(2Jdk), α=eJ\alpha=eJ, and q>1q>1 be the number of terms in the product W¯p(s)\bar{W}_{p}(s). Then, Cor. 4 implies

(W¯p(s)Wp(s))ΠΔ5δ(Δ),\displaystyle\|(\bar{W}_{p}(s)-W_{p}(s))\Pi_{\leq\Delta}\|\leq 5\delta(\Delta^{\prime})\;, (67)

and

δ(Δ)=e1q(λ(ΔΔ)α|𝐬|Mqlogq).\displaystyle\delta(\Delta^{\prime})=e^{-\frac{1}{q}(\lambda(\Delta^{\prime}-\Delta)-\alpha|{\bf s}|M-q\log q)}\;. (68)

This error bound decreases when Δ\Delta^{\prime} increases. It is now valid for all Δ0\Delta^{\prime}\geq 0 but can be irrelevant (larger than 1) when, for example, ΔΔ\Delta^{\prime}\leq\Delta. We assume that our product formula is such that |𝐬|κL|s||{\bf s}|\leq\kappa L|s| for a constant κ1\kappa\geq 1 and let α=κα\alpha^{\prime}=\kappa\alpha. Then

δ(Δ)=e1q(λ(ΔΔ)α|s|MLqlogq).\displaystyle\delta(\Delta^{\prime})=e^{-\frac{1}{q}(\lambda(\Delta^{\prime}-\Delta)-\alpha^{\prime}|s|ML-q\log q)}\;. (69)

Thus, for any ΔΔ\Delta^{\prime}\geq\Delta, the triangle inequality implies (U(s)Wp(s))ΠΔϵ(Δ)+5δ(Δ)\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\|\leq\epsilon(\Delta^{\prime})+5\delta(\Delta^{\prime}).

For given |s||s|, we can search for ΔΔ\Delta^{\prime}\geq\Delta that minimizes the overall error bound. Let that Δ\Delta^{\prime} be Δmin\Delta^{\prime}_{\min}. The global minimum for the error is then ϵ(Δmin)+5δ(Δmin)\epsilon(\Delta^{\prime}_{\min})+5\delta(\Delta^{\prime}_{\min}) and, for all ΔΔ\Delta^{\prime}\geq\Delta, it satisfies

ϵ(Δmin)+5δ(Δmin)ϵ(Δ)+5δ(Δ).\displaystyle\epsilon(\Delta^{\prime}_{\min})+5\delta(\Delta^{\prime}_{\min})\leq\epsilon(\Delta^{\prime})+5\delta(\Delta^{\prime})\;. (70)

Then, we can fix any value of ΔΔ\Delta^{\prime}\geq\Delta and obtain a bound for the overall error from computing ϵ(Δ)+5δ(Δ)\epsilon(\Delta^{\prime})+5\delta(\Delta^{\prime}). In particular, we choose

Δ\displaystyle\Delta^{\prime} =Δ+1λα|s|ML+qλlogq+qλ(p+1)log(1J|s|),\displaystyle=\Delta+\frac{1}{\lambda}\alpha^{\prime}|s|ML+\frac{q}{\lambda}\log q+\frac{q}{\lambda}(p+1)\log\left(\frac{1}{J|s|}\right)\;, (71)

and, assuming J|s|1J|s|\leq 1, q>1q>1, we obtain

δ(Δ)\displaystyle\delta(\Delta^{\prime}) =(J|s|)p+1\displaystyle=(J|s|)^{p+1} (72)
(Δ|s|)p+1\displaystyle\leq(\Delta^{\prime}|s|)^{p+1} (73)
(LΔ|s|)p+1.\displaystyle\leq(L\Delta^{\prime}|s|)^{p+1}\;. (74)

The constraint in J|s|J|s| is to avoid errors larger than 1: it is sufficient for δ(Δ)1\delta(\Delta^{\prime})\leq 1 and for ΔΔ\Delta^{\prime}\geq\Delta. Therefore, if J|s|1J|s|\leq 1,

(U(s)Wp(s))ΠΔ\displaystyle\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\| ϵ(Δmin)+5δ(Δmin)\displaystyle\leq\epsilon(\Delta^{\prime}_{\min})+5\delta(\Delta^{\prime}_{\min}) (75)
ϵ(Δ)+5δ(Δ)\displaystyle\leq\epsilon(\Delta^{\prime})+5\delta(\Delta^{\prime}) (76)
(γ+5)(LΔ|s|)p+1\displaystyle\leq(\gamma+5)(L\Delta^{\prime}|s|)^{p+1} (77)
γ~(LΔ|s|)p+1\displaystyle\leq\tilde{\gamma}(L\Delta^{\prime}|s|)^{p+1} (78)
=ϵ~(Δ),\displaystyle=\tilde{\epsilon}(\Delta^{\prime})\;, (79)

where Δ\Delta^{\prime} was determined in Eq. (71) and γ~=γ+5\tilde{\gamma}=\gamma+5 is a constant. While our choice of Δ\Delta^{\prime} in Eq. (71) does not correspond to the global minimum of the overall error, an exact calculation show that it is not far from Δmin\Delta^{\prime}_{\min} and provides the same asymptotic complexity for our method. Nevertheless, if one is interested in optimizing some constants hidden by the 𝒪\mathcal{O} notation in the overall complexity, using Δmin\Delta^{\prime}_{\min} instead will be a better choice. Also note that, in general, we can additionally require ΔH\Delta^{\prime}\leq\|H\| for all ss; this condition is not satisfied by Eq. (71). But since our results will be particularly useful when ΔH\Delta^{\prime}\ll\|H\|, we do not expect any improvement from this additional requirement and only consider Eq. (71) in the following.

An upper bound for Δ\Delta^{\prime} can be given in terms of three factors β1\beta_{1}, β2\beta_{2}, and β3\beta_{3}, which can be easily computed from the parameters that define HH as Δ=Δ+β1Jlog(β2/(J|s|))+β3J2N|s|\Delta^{\prime}=\Delta+\beta_{1}J\log(\beta_{2}/(J|s|))+\beta_{3}J^{2}N|s|. This is the expression provided in Thm. 1 in the main text. Using the properties q>1q>1, p1p\geq 1, and NMLdNN\leq ML\leq dN, the factors satisfy

β1\displaystyle\beta_{1} =2qdk(p+1)\displaystyle=2qdk(p+1) (80)
β2\displaystyle\beta_{2} =q1/(p+1),\displaystyle=q^{1/(p+1)}\;, (81)
β3\displaystyle\beta_{3} 2ekd2κ.\displaystyle\leq 2ekd^{2}\kappa\;. (82)

When dd, kk, LL, and qq are 𝒪(1)\mathcal{O}(1) constants, we obtain β1=𝒪(1)\beta_{1}=\mathcal{O}(1), β2=𝒪(1)\beta_{2}=\mathcal{O}(1) and β3=𝒪(1)\beta_{3}=\mathcal{O}(1).

Note that the error ϵ~(Δ)\tilde{\epsilon}(\Delta^{\prime}) approaches zero as s0s\rightarrow 0 but not as |s|p+1|s|^{p+1}, as in the case of pp-th order product formulas. This is due to the appearance of log(1/(J|s|))\log(1/(J|s|)) in Δ\Delta^{\prime}. This logarithmic factor is the result of our requirement that the “leakage” δ(Δ)\delta(\Delta^{\prime}) vanishes as s0s\rightarrow 0, implying Δ\Delta^{\prime}\rightarrow\infty. At the same time, when s0s\rightarrow 0, no evolution occurs and one would have expected that ΔΔ\Delta^{\prime}\rightarrow\Delta in this limit. This suggests that it might be possible to obtain a tighter expression for Δ\Delta^{\prime} than that in Eq. (71), one that does not diverge in the limit s0s\rightarrow 0, but leave this as an open problem. Nevertheless, our purpose is to make |s||s| as large as possible in the product formula and the limit s0s\rightarrow 0 is not of our concern. To this end, our previous analyses will suffice.

For the special case of Trotter-Suzuki product formulas, the constant γ\gamma that appears in ϵ(Δ)\epsilon(\Delta^{\prime}) has been previously studied in Ref. [4]. In this case, the number of terms satisfies q5pLq\leq 5^{p}L and |𝐬|cpL|s||{\bf s}|\leq c^{p}L|s|, for some constant c2.32c\approx 2.32. Thus, we can take κ=cp\kappa=c^{p} and κ=𝒪(1)\kappa=\mathcal{O}(1) for p=𝒪(1)p=\mathcal{O}(1).

The assumption Hl0H_{l}\geq 0 implies H¯lΔ\|\bar{H}_{l}\|\leq\Delta^{\prime} and thus the error bound in Eq. (64). In general, Hl0H_{l}\geq 0 can be met after a simple shifting HlHl+alH_{l}\rightarrow H_{l}+a_{l}, and the assumption seems irrelevant. However, this shifting could result on a value of Δ\Delta and Δ\Delta^{\prime} that scales, for example, with NN or Hl\|H_{l}\|. If this is the case, the error bound of Eq. (64) could be comparable to that in the worst case (without the low-energy assumption), and would not result in a complexity improvement.

To clarify this point further, consider a local spin Hamiltonian where Hl0H_{l}\ngeq 0 and let Δ\Delta be the relevant low-energy parameter; that is, the initial state is supported on the subspace associated with eigenvalues of HH in the range [E0,E0+Δ][E_{0},E_{0}+\Delta], where E0E_{0} is the lowest eigenvalue. The previous analyses can be extended to this general case as follows. First, we let ΠΔ\Pi_{\leq\Delta^{\prime}} be the projector into the subspace associated with the eigenvalues of HH in the range [E0,E0+Δ][E_{0},E_{0}+\Delta^{\prime}], where Δ>Δ\Delta^{\prime}>\Delta is chosen as in Thm. 1. (As before, the effective Hamiltonians are H¯l=ΠΔHlΠΔ\bar{H}_{l}=\Pi_{\leq\Delta^{\prime}}H_{l}\Pi_{\leq\Delta^{\prime}}. ) We also define

Δ~\displaystyle\tilde{\Delta} :=maxlminaH¯la\displaystyle:=\max_{l}\min_{a}\|\bar{H}_{l}-a\| (83)
=maxl12|ElmaxElmin|,\displaystyle=\max_{l}\frac{1}{2}|E_{l}^{\max}-E_{l}^{\min}|\;, (84)

which is an effective low-energy norm (obtained by a minimization that eliminates a constant term in H¯l\bar{H}_{l}), and ElmaxE_{l}^{\max} and ElminE_{l}^{\min} are the largest and smallest eigenvalues of H¯l\bar{H}_{l}, respectively. Then, the error bound induced by product formulas in the more general case where Hl0H_{l}\ngeq 0 is

U¯(s)W¯p(s)ϵ(Δ~),\displaystyle\|\bar{U}(s)-\bar{W}_{p}(s)\|\leq\epsilon(\tilde{\Delta})\;, (85)

where ϵ(Δ~)=γ(LΔ~|s|)p+1\epsilon(\tilde{\Delta})=\gamma(L\tilde{\Delta}|s|)^{p+1}. This is because this error bound depends on nested commutators of the H¯l\bar{H}_{l}’s [23], and shifting H¯l\bar{H}_{l} by a constant does not change the commutators. This error has to be compared with Eq. (64). A complexity improvement with respect to the worst case (without the low-energy assumption) might follow if Δ~Hl\tilde{\Delta}\ll\|H_{l}\|; e.g., when Δ~\tilde{\Delta} is constant.

Characterizing those Hamiltonians for which Δ~Hlh\tilde{\Delta}\ll\|H_{l}\|\leq h occurs is an interesting but open problem. Nevertheless, for many important local Hamiltonians (e.g., frustration-free Hamiltonians), the condition Hl0H_{l}\geq 0 is readily satisfied. In these examples, Δ\Delta^{\prime} (or Δ~\tilde{\Delta}) can be much less than Hl\|H_{l}\|, resulting in a complexity improvement. The Heisenberg model of Fig. 1 is an example where our results apply.

Supplementary Note 4: Complexity of product formulas for local Hamiltonians

We now determine the complexity of product formulas, which is the total number of exponentials of the HlH_{l}’s to approximate the evolution operator U(t)U(t) within given precision ε>0\varepsilon>0. We give an explicit dependence of this complexity in terms of the relevant parameters that specify HH. If a quantum algorithm is constructed to implement such product formula, then our result will determine the complexity of the quantum algorithm (number of two-qubit gates) from multiplying it by the complexity of implementing the exponential of HlH_{l}. The latter is linear in kMkM following the results in Ref. [12].

Theorem 2.

Let ε>0\varepsilon>0, Δ0\Delta\geq 0, tt\in\mathbb{R}, H=l=1LHlH=\sum_{l=1}^{L}H_{l} a kk-local Hamiltonian as above, Hl0H_{l}\geq 0, and Wp(s)W_{p}(s) a pp-th order product formula as in Eq. 1. Then, there exists

r\displaystyle r =𝒪~(t1+1pε1p(LΔ+Ldkq(logq)J)1+1p)+𝒪(t1+12p+1ε12p+1(L2dMJ2)12+14p+2),\displaystyle=\tilde{\mathcal{O}}\left(\frac{t^{1+\frac{1}{p}}}{\varepsilon^{\frac{1}{p}}}\left(L\Delta+Ldkq(\log q)J\right)^{1+\frac{1}{p}}\right)+\mathcal{O}\left(\frac{t^{1+\frac{1}{2p+1}}}{\varepsilon^{\frac{1}{2p+1}}}(L^{2}dMJ^{2})^{\frac{1}{2}+\frac{1}{4p+2}}\right)\;, (86)

such that

(U(t)(Wp(t/r))r)ΠΔε.\displaystyle\|(U(t)-(W_{p}(t/r))^{r})\Pi_{\leq\Delta}\|\leq\varepsilon\;. (87)

The 𝒪~\tilde{\mathcal{O}} notation hides a polylogarithmic factor in (|t|JLqdk/ε)(|t|JLqdk/\varepsilon).

Proof.

Let r=t/sr=t/s be the Trotter number, i.e., the number of “segments” in the product formula, each approximating the evolution U(s)U(s) for short time ss. We assume s0s\geq 0 and t0t\geq 0 for simplicity, and the result for t0t\leq 0 simply follows from replacing t|t|t\rightarrow|t|. Note that U(s)ΠΔ=ΠΔU(s)ΠΔU(s)\Pi_{\leq\Delta}=\Pi_{\leq\Delta}U(s)\Pi_{\leq\Delta} and U(t)=(U(s))rU(t)=(U(s))^{r}. We use the identity

(U(t)\displaystyle(U(t) (Wp(s))r)ΠΔ=r1r=0(Wp(s))r(U(s)Wp(s))(U(s))rr1ΠΔ\displaystyle-(W_{p}(s))^{r})\Pi_{\leq\Delta}=\sum^{r-1}_{r^{\prime}=0}(W_{p}(s))^{r^{\prime}}(U(s)-W_{p}(s))(U(s))^{r-r^{\prime}-1}\Pi_{\leq\Delta} (88)
=r=0r1(Wp(s))r(U(s)Wp(s))ΠΔ(U(s))rr1ΠΔ.\displaystyle=\sum^{r-1}_{r^{\prime}=0}(W_{p}(s))^{r^{\prime}}(U(s)-W_{p}(s))\Pi_{\leq\Delta}(U(s))^{r-r^{\prime}-1}\Pi_{\leq\Delta}\;. (89)

Using the triangle inequality and Wp(s)=U(s)=1\|W_{p}(s)\|=\|U(s)\|=1 for unitary operators, we obtain

(U(t)(Wp(s))r)ΠΔ\displaystyle\|(U(t)-(W_{p}(s))^{r})\Pi_{\leq\Delta}\| r(U(s)Wp(s))ΠΔ\displaystyle\leq r\|(U(s)-W_{p}(s))\Pi_{\leq\Delta}\| (90)
rϵ~(Δ),\displaystyle\leq r\tilde{\epsilon}(\Delta^{\prime})\;, (91)

where ϵ~(Δ)=γ~(LΔs)p+1\tilde{\epsilon}(\Delta^{\prime})=\tilde{\gamma}(L\Delta^{\prime}s)^{p+1} and γ~\tilde{\gamma} is a constant that can be determined from the error bounds of product formulas – see Thm. 1, Eq. (79). Thus, for overall error bounded by ε\varepsilon, it suffices to choose ϵ~(Δ)ε/r\tilde{\epsilon}(\Delta^{\prime})\leq\varepsilon/r or, equivalently,

γ~(LΔs)p+1εts\displaystyle\tilde{\gamma}(L\Delta^{\prime}s)^{p+1}\leq\frac{\varepsilon}{t}s\; (92)

To set some conditions in ss, in addition to Js1Js\leq 1, we note that each of the terms in Eq. (71) that define the effective norm can be dominant depending on ss, Δ\Delta, and other parameters. Then, to obtain the overall complexity of product formulas, we will analyze four different cases as follows. In the first case, we assume that Δ\Delta is the dominant term in Δ\Delta^{\prime}, and we require

γ~(4LΔs)p+1εts,\displaystyle\tilde{\gamma}(4L\Delta s)^{p+1}\leq\frac{\varepsilon}{t}s\;, (93)

which is satisfied as long as

ss1=(εγ~t)1/p1(4LΔ)1+1/p.\displaystyle s\leq s_{1}=\left(\frac{\varepsilon}{\tilde{\gamma}t}\right)^{1/p}\frac{1}{(4L\Delta)^{1+1/p}}\;. (94)

In the second case, we assume that αsML/λ\alpha^{\prime}sML/\lambda is the dominant term in Eq. (71) and impose

γ~(4LαMLs2λ)p+1εts,\displaystyle\tilde{\gamma}\left(4L\frac{\alpha^{\prime}MLs^{2}}{\lambda}\right)^{p+1}\leq\frac{\varepsilon}{t}s, (95)

which implies

ss2=(εγ~t)12p+1(λ4αML2)12+14p+2.\displaystyle s\leq s_{2}=\left(\frac{\varepsilon}{\tilde{\gamma}t}\right)^{\frac{1}{2p+1}}\left(\frac{\lambda}{4\alpha^{\prime}ML^{2}}\right)^{\frac{1}{2}+\frac{1}{4p+2}}. (96)

In the third case, we assume that (qlogq)/λ(q\log q)/\lambda is the dominant term in Eq. (71) and impose

γ~(4Lqlogqsλ)p+1εts,\displaystyle\tilde{\gamma}\left(4L\frac{q\log q\;s}{\lambda}\right)^{p+1}\leq\frac{\varepsilon}{t}s, (97)

which implies

ss3=(εγ~t)1p(λ4Lqlogq)1+1/p.\displaystyle s\leq s_{3}=\left(\frac{\varepsilon}{\tilde{\gamma}t}\right)^{\frac{1}{p}}\left(\frac{\lambda}{4Lq\log q}\right)^{1+1/p}. (98)

In the fourth case, we assume that qλ(p+1)log(1Js)\frac{q}{\lambda}(p+1)\log\left(\frac{1}{Js}\right) is the dominant term in Eq. (71) and impose

γ~(4Lqλ(p+1)log(1Js)s)p+1εts,\displaystyle\tilde{\gamma}\left(4L\frac{q}{\lambda}(p+1)\log\left(\frac{1}{Js}\right)s\right)^{p+1}\leq\frac{\varepsilon}{t}s\;, (99)

under the assumption Js1Js\leq 1. Equivalently, if z=Js1z=Js\leq 1 and defining the function f(z)=(log(1/z))p+1zpf(z)=(\log(1/z))^{p+1}z^{p}, p1p\geq 1, we impose

f(z)X,\displaystyle f(z)\leq X\;, (100)

where

X=εγ~t(λ4Lq(p+1))p+1Jp.\displaystyle X=\frac{\varepsilon}{\tilde{\gamma}t}\left(\frac{\lambda}{4Lq(p+1)}\right)^{p+1}J^{p}. (101)

To set a fourth condition in ss we could then compute XX from the inputs of the problem and find a range of values of zz for which Eq. (100) is satisfied. We can also obtain such a range analytically as follows. The function f(z)f(z) increases from f(0)=0f(0)=0, attains its maximum at zM=ep+1pz_{M}=e^{-\frac{p+1}{p}} (hence e2zMe1e^{-2}\leq z_{M}\leq e^{-1} for all p1p\geq 1), and then decreases to f(1)=0f(1)=0. Additionally, f(z)((1+1/p)/e)p+14/e20.54f(z)\leq((1+1/p)/e)^{p+1}\leq 4/e^{2}\approx 0.54 for all 0z10\leq z\leq 1. In particular, if X((1+1/p)/e)p+1X\geq((1+1/p)/e)^{p+1} then Eq. (100) is readily satisfied for all z1z\leq 1 and no additional condition in ss will be required in this case (this happens, for example, for sufficiently small values of tt). More generally, for a given XX, we can solve for f(z)=Xf(z)=X. If there are two solutions z1,21z_{1,2}\leq 1 for zz, we consider the smaller one (z1<z2z_{1}<z_{2}) and the relevant range for zz to satisfy Eq. (100) is [0,z1][0,z_{1}]. It will then suffice to impose that zz belongs to a range [0,z1][0,z^{\prime}_{1}], where z1z1z^{\prime}_{1}\leq z_{1}. To this end, we define z1=X1/p/(e2log(e2/X))(p+1)/pz_{1}^{\prime}=X^{1/p}/(e^{2}\log(e^{2}/X))^{(p+1)/p} and, under the assumption X0.54X\lesssim 0.54, we have z1<e2z_{1}^{\prime}<e^{-2}. Additionally,

f(z)\displaystyle f(z) =(log(1/z))p+1zp\displaystyle=(\log(1/z))^{p+1}z^{p} (102)
(log(e2log(p+1)/p(e2/X)X1/p))p+1X(e2log(e2/X))p+1\displaystyle\leq\left(\log\left(\frac{e^{2}\log^{(p+1)/p}(e^{2}/X)}{X^{1/p}}\right)\right)^{p+1}\frac{X}{(e^{2}\log(e^{2}/X))^{p+1}} (103)
(log(e2log2(e2/X)X))p+1X(e2log(e2/X))p+1\displaystyle\leq\left(\log\left(\frac{e^{2}\log^{2}(e^{2}/X)}{X}\right)\right)^{p+1}\frac{X}{(e^{2}\log(e^{2}/X))^{p+1}} (104)
(3log(e2/X))p+1X(e2log(e2/X))p+1\displaystyle\leq\left(3\log(e^{2}/X)\right)^{p+1}\frac{X}{(e^{2}\log(e^{2}/X))^{p+1}} (106)
X,\displaystyle\leq X\;, (107)

where we used X1/pXX^{1/p}\geq X and log(e2/X)e2/X\log(e^{2}/X)\leq e^{2}/X for X1X\leq 1. This is the condition of Eq. (100). Then, for the fourth condition in ss, we impose zz1z\leq z_{1}^{\prime} or, equivalently,

ss4\displaystyle s\leq s_{4} =(εγ~t)1/p(λ4Lq(p+1))1+1/p1(e2log(e2γ~tεJp(4Lq(p+1)λ)p+1))1+1/p\displaystyle=\left(\frac{\varepsilon}{\tilde{\gamma}t}\right)^{1/p}\left(\frac{\lambda}{4Lq(p+1)}\right)^{1+1/p}\frac{1}{\left(e^{2}\log\left(\frac{e^{2}\tilde{\gamma}t}{\varepsilon J^{p}}\left(\frac{4Lq(p+1)}{\lambda}\right)^{p+1}\right)\right)^{1+1/p}} (108)
=(εγ~t)1/p(λ4Lq(p+1))1+1/p1(e2log(e2γ~tJε(8Lq(p+1)dk)p+1))1+1/p.\displaystyle=\left(\frac{\varepsilon}{\tilde{\gamma}t}\right)^{1/p}\left(\frac{\lambda}{4Lq(p+1)}\right)^{1+1/p}\frac{1}{\left(e^{2}\log\left(\frac{e^{2}\tilde{\gamma}tJ}{\varepsilon}(8Lq(p+1)dk)^{p+1}\right)\right)^{1+1/p}}\;. (109)

Except for a mild polylogarithmic correction in tJLqdk/εtJLqdk/\varepsilon – the third factor – this condition is similar to the first and third ones.

Then, if Js1Js\leq 1 and ss additionally satisfies Eqs. (94), (96), (98), and (109), we obtain the desired condition of Eq. (92). The product formulas under consideration [Eq. 1] are such that α=κα=𝒪(J)\alpha^{\prime}=\kappa\alpha=\mathcal{O}(J) and γ~=𝒪(1)\tilde{\gamma}=\mathcal{O}(1), and we consider the case where pp is a 𝒪(1)\mathcal{O}(1) constant. The conditions in ss allow us to obtain a sufficient condition for the Trotter number as follows:

r=t/s\displaystyle r=t/s (110)
=𝒪~(t1+1pε1p(LΔ+Ldkq(logq)J)1+1p)+𝒪(t1+12p+1ε12p+1(L2dMJ2)12+14p+2),\displaystyle=\tilde{\mathcal{O}}\left(\frac{t^{1+\frac{1}{p}}}{\varepsilon^{\frac{1}{p}}}\left(L\Delta+Ldkq(\log q)J\right)^{1+\frac{1}{p}}\right)+\mathcal{O}\left(\frac{t^{1+\frac{1}{2p+1}}}{\varepsilon^{\frac{1}{2p+1}}}(L^{2}dMJ^{2})^{\frac{1}{2}+\frac{1}{4p+2}}\right)\;, (111)

where the 𝒪~\tilde{\mathcal{O}} notation hides a polylogarithmic factor in tJLqdk/εtJLqdk/\varepsilon coming from Eq. (109). For the case when qq is 𝒪(L)\mathcal{O}(L), k=𝒪(1)k=\mathcal{O}(1), d=𝒪(1)d=\mathcal{O}(1), and hence L=𝒪(1)L=\mathcal{O}(1) and M=𝒪(N)M=\mathcal{O}(N), and considering the asymptotic limit, we obtain

r=𝒪~((t(Δ+J))1+1pε1p)+𝒪((tJN)1+12p+1ε12p+1).\displaystyle r=\tilde{\mathcal{O}}\left(\frac{(t(\Delta+J))^{1+\frac{1}{p}}}{\varepsilon^{\frac{1}{p}}}\right)+\mathcal{O}\left(\frac{(tJ\sqrt{N})^{1+\frac{1}{2p+1}}}{\varepsilon^{\frac{1}{2p+1}}}\right)\;. (112)

Supplementary Note 5: Comparison with known results on product formulas

We compare our result on the complexity of product formulas with those in Ref. [23] that are the state of the art. When no assumption is made for the initial state, the Trotter number stated in Ref. [23] for kk-local Hamiltonians is

r~=𝒪(t1+1/pε1/pHind1H11/p).\displaystyle\tilde{r}=\mathcal{O}\left(\frac{t^{1+1/p}}{\varepsilon^{1/p}}\|H\|_{ind-1}\|H\|^{1/p}_{1}\right)\;. (113)

Here, H1\|H\|_{1} is the 1-norm of HH, given by l=1LHl\sum_{l=1}^{L}\|H_{l}\| in our case, and Hind1\|H\|_{ind-1} is the so-called induced 1-norm of HH. The latter is defined as follows. We write H=j1,,jk=1Nhj1,,jkH=\sum_{j_{1},\ldots,j_{k}=1}^{N}h_{j_{1},\ldots,j_{k}}, where each hj1,,jkh_{j_{1},\ldots,j_{k}} includes the kk-local interaction terms of qubits labeled as j1,,jkj_{1},\ldots,j_{k} in HH. Then,

Hind1:=maxlmaxjlj1,,jl1,jl+1,,jk=1Nhj1,,jk.\displaystyle\|H\|_{ind-1}:=\max_{l}\max_{j_{l}}\sum_{j_{1},\ldots,j_{l-1},j_{l+1},\ldots,j_{k}=1}^{N}\|h_{j_{1},\ldots,j_{k}}\|\;. (114)

That is, we fix certain qubit jlj_{l} and consider all the interaction terms that contain that qubit. For a degree dd Hamiltonian with kk-local interaction terms (not necessarily geometrically local), each of strength at most JJ, Hind1dJ\|H\|_{ind-1}\leq dJ. Furthermore, H1\|H\|_{1} can be upper bounded as H1JMLJdN\|H\|_{1}\leq JML\leq JdN. As a result, for a kk-local Hamiltonian as above, the best known upper bound for the Trotter number is

r~=𝒪(t1+1/pε1/p(dJ)1+1/pN1/p).\displaystyle\tilde{r}=\mathcal{O}\left(\frac{t^{1+1/p}}{\varepsilon^{1/p}}(dJ)^{1+1/p}N^{1/p}\right). (115)

To compare our main result with Eq. (115), we express Eq. (111) in terms of dd and NN. We recall that the total number of local terms in HH is MLdNML\leq dN, Ldk+1L\leq dk+1, and we assume that k=𝒪(1)k=\mathcal{O}(1), M=𝒪(N)M=\mathcal{O}(N), and q=𝒪(L)=𝒪(d)q=\mathcal{O}(L)=\mathcal{O}(d) for the pp-th order product formula. Then, in the asymptotic limit,

r\displaystyle r =𝒪~(t1+1pε1p(dΔ+d3J)1+1p)+𝒪(t1+12p+1ε12p+1(d3NJ2)12+14p+2).\displaystyle=\tilde{\mathcal{O}}\left(\frac{t^{1+\frac{1}{p}}}{\varepsilon^{\frac{1}{p}}}\left(d\Delta+d^{3}J\right)^{1+\frac{1}{p}}\right)+\mathcal{O}\left(\frac{t^{1+\frac{1}{2p+1}}}{\varepsilon^{\frac{1}{2p+1}}}(d^{3}NJ^{2})^{\frac{1}{2}+\frac{1}{4p+2}}\right)\;. (116)

The results for various values of pp and k=𝒪(1)k=\mathcal{O}(1) are in Table 3.

Comparison of asymptotic complexities (Trotter number) as a function of Δ,J,d,N,ε,t\Delta,J,d,N,\varepsilon,t
Order Previous result (r~\tilde{r}) Low-energy simulation (rr)
p=1p=1 𝒪(ttεd2NJ2)\mathcal{O}(t\frac{t}{\varepsilon}d^{2}NJ^{2}) 𝒪~(ttε(dΔ+d3J)2)+𝒪(t(tε)1/3d2N2/3J4/3)\tilde{\mathcal{O}}(t\frac{t}{\varepsilon}(d\Delta+d^{3}J)^{2})+\mathcal{O}(t\left(\frac{t}{\varepsilon}\right)^{1/3}d^{2}N^{2/3}J^{4/3})
p=2p=2 𝒪(t(tε)1/2d3/2N1/2J3/2\mathcal{O}(t\left(\frac{t}{\varepsilon}\right)^{1/2}d^{3/2}N^{1/2}J^{3/2} ) 𝒪~(t(tε)1/2(dΔ+d3J)3/2)+𝒪(t(tε)1/5d9/5N3/5J6/5)\tilde{\mathcal{O}}(t\left(\frac{t}{\varepsilon}\right)^{1/2}(d\Delta+d^{3}J)^{3/2})+\mathcal{O}(t\left(\frac{t}{\varepsilon}\right)^{1/5}d^{9/5}N^{3/5}J^{6/5})
p=3p=3 𝒪(t(tε)1/3d4/3N1/3J4/3\mathcal{O}(t\left(\frac{t}{\varepsilon}\right)^{1/3}d^{4/3}N^{1/3}J^{4/3} ) 𝒪~(t(tε)1/3(dΔ+d3J)4/3)+𝒪(t(tε)1/7d12/7N4/7J8/7)\tilde{\mathcal{O}}(t\left(\frac{t}{\varepsilon}\right)^{1/3}(d\Delta+d^{3}J)^{4/3})+\mathcal{O}(t\left(\frac{t}{\varepsilon}\right)^{1/7}d^{12/7}N^{4/7}J^{8/7})
Table 3: The comparison between the best-known worst-case complexity of pp-th order product formulas [23] and our result for the low-energy simulation, p=1,2,3p=1,2,3.

By setting a constraint on the initial state, our low-energy simulation result provides an advantage in certain regimes where dd may grow with NN. In the following, we will assume that, e.g., Δ=𝒪(d2J)\Delta=\mathcal{O}(d^{2}J) and fix the value of t/εt/\varepsilon, to simplify the expressions. Under these assumptions, for p=1p=1 and d=𝒪(N1/4)d=\mathcal{O}(N^{1/4}), the terms in both columns of Table 3 are of order N3/2N^{3/2}. For p=2p=2 and d=𝒪(N1/6)d=\mathcal{O}(N^{1/6}), the terms in both columns of Table 3 are of order N3/4N^{3/4}. For p=3p=3 and d=𝒪(N1/8)d=\mathcal{O}(N^{1/8}) the terms in both columns of Table 3 are of order N1/2N^{1/2}. For general p1p\geq 1 and d=𝒪(N12(p+1))d=\mathcal{O}(N^{\frac{1}{2(p+1)}}), both complexities are comparable and of order N3/(2p)N^{3/(2p)}.

When dd is fixed and NN grows, our complexities may be worse than those obtained in Ref. [23]. One reason for this is because the effective norms may grow large in this case and the error bound that we use for product formulas using effective operators do not exploit any structure such as the locality of interactions. Better error bounds may be possible in this case, resulting in improved complexities. However, even if NN is large, our results regain an advantage at certain values of tt, in particular if we scale t/εt/\varepsilon with NN. Doing so will set a bound on the effective norm so that the second term in our complexities stops dominating.

The special case where k=𝒪(1)k=\mathcal{O}(1), d=𝒪(1)d=\mathcal{O}(1), and Δ\Delta is also a constant independent of other parameters that specify HH can be directly obtained from Table 2 and is given in Table 1 in the main text.