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body localized systems. We test the accuracy of our method by comparing the approximate energy
spectrum to exact diagonalization results for the random field Heisenberg model on 12 sites. We find
that the technique is highly accurate deep in the localized regime and maintains a surprising degree
of accuracy in predicting certain local quantities even in the vicinity of the predicted dynamical
phase transition. To demonstrate the power of our technique, we study a system of 60 sites and we
are able to see clear signatures of the phase transition.
Pekker and Clark does not scale efficiently with system the total number of spins and its performance close to
size42 . A proposal with an efficient scaling was given the MBL-thermal transition is also discussed in this sec-
by Pollmann et al. using stacked layers of unitaries by tion. In Sec. VI we present a summary of the results and
minimizing the fluctuations in the total energy43 . It was future directions for the method.
suggested that the accuracy of the approximation for a
given chain length can be increased by increasing the
number of layers. Compared to the methods targeting II. MODEL AND ITS PHENOMENOLOGY
eigenstates within an energy window44–46 , this procedure
is constructed to efficiently approximate all the energies We consider the canonical random-field Heisenberg
and eigenstates with sufficient accuracy, providing access model defined on a spin-1/2 chain4 of N sites with open
to dynamical properties of local observables. boundary conditions,
In this work we improve upon the ansatz from Ref. [43] N −1
by increasing the size of the block of spins acted upon by
X
H= (JSi · Si+1 + hi Siz ) + SN
z z
hN (1)
the unitaries, while keeping the number of layers fixed i=1
at two. We show numerically that this gives rise to an
exponential improvement of the computational time and with Si = 12 σi and each of the hzi is chosen from the
memory requirements. We use a figure of merit which uniform distribution bounded between [−W, W ], where
is directly related to the qLIOMs and motivated by a W is called the disorder strength. The model is known
procedure introduced by Kim et al. to identify slow op- to have a dynamical phase transition into the MBL phase
erators in disorder-free non-integrable models47 . For con- where all states are localized for disorder strength greater
creteness, we consider the one dimensional random field than Wc ≈ 3.54,49 .
Heisenberg model. We compare our scheme to that orig- In the FMBL regime the bare physical spins in the
inally proposed by Ref. [43] even extending their scheme model (also known as ‘p-bits’) can be be unitarily trans-
to four layers (albeit with a different figure of merit to im- formed into an extensive set of mutually-commuting
prove computational efficiency). We find that our strat- quasi-local effective spins τiz (also known as ‘l-bits’)
egy to be both more accurate and computationally effi- which are expected to commute exactly with the Hamil-
cient than that of Ref. [43]. tonian.
We quantify the performance of our scheme by mini- [H, τiz ] = [τiz , τjz ] = 0, (2)
mizing the commutator of the Hamiltonian with the ap-
proximate, local integrals of motion defined through our where τiz = U σiz U † . U is the unitary operator which
tensor network ansatz. As we show, this figure of merit exactly diagonalizes the Hamiltonian. In the localized
decomposes into strictly local parts, which allows us to phase, the unitary transformation U can be decomposed
evaluate it with linear cost in the system size, thus en- into a sequence of local unitaries so that the l-bits develop
abling us to reliably assess the performance of our ansatz exponentially decaying tails away from site i29 . More
in the regime where exact diagonalization is unavailable. mathematically,
We corroborate this by comparing the tensors obtained
by optimizing our figure of merit with exact diagonaliza- kTri−r,i−r+1,...,i+r (τiz − σiz )k1 ≤ a e−r/ξL (3)
tion results for 12 sites, where we observe that the numer- with positive constants a, ξL for N r. We use the
ical value of the figure of merit indeed reflects how well
P
1-norm kAk1 = jk |Ajk | and consider the matrix rep-
the real MBL energy spectrum is approximated. We find resentation of τiz − σiz in a fixed basis. ξL can be defined
a very high accuracy of our ansatz for unitaries acting to be the localization length of the MBL system where
on six contiguous sites, and thus use the same procedure the trace is taken over the collection of spins within a
to tackle a chain with 60 sites as a function of the dis- distance r of site i. It is important to note that the defi-
order strength. Remarkably, the ansatz fares extremely nition of the localization length is not unique. There can
well for local observables at weak disorder and close to even be multiple localization lengths and some of them
the MBL-to-thermal phase transition in this model. We may not diverge at the MBL-thermal transition25 .
use the fluctuations in the half-cut entanglement entropy According to Eq. (2), the Hamiltonian and the set of l-
calculated with this ansatz to estimate the location of bits {τjz } can be simultaneously diagonalized where every
the transition48 which is in agreement with the exact di- eigenstate is a product state in the l-bit basis. Each
agonalization studies. eigenstate can be uniquely labelled by the eigenvalues
In Sec. II we define the model used to perform our ij = ±1 of the set of l-bit operators {τjz } (j = 1, . . . , N ),
calculations and also highlight the phenomenological fea- |ψi1 i2 ...iN i. In the l-bit basis the Hamiltonian can be
tures of the FMBL phase in one dimension. In Sec. III expressed in the following form,
and IV, we give a detailed description of the tensor net- N N N
work ansatz and the figure of merit used to diagonalize H=
X
Ji τiz +
X
Jij τiz τjz +
X
Jijk τiz τjz τkz
the full Hamiltonian efficiently. The numerical results i=1 i,j=1 i,j,k=1
and their comparison to exact digonalization are pre-
sented in Section V. The scaling of the procedure with + ..., (4)
3
N FIG. 3. Sum of
1X Ptensor network contractions which yields the
tr [H, τ̃iz ][H, τ̃iz ]†
N z 2
f ({ux,y }) := second term, i=1 tr (H τ̃i ) , in Eq. (5). The multiplica-
2 i=1 tions from left to right in Eq. (6) correspond to top to bottom
N
X in the figure. The indices of the lower wiggly lines are to be
tr(H 2 ) − tr (H τ̃iz )2 contracted with those of the corresponding upper wiggly lines.
= . (5)
For a given position i of the σ z operator and arbitrary posi-
i=1
tions j, k of the two-body Hamiltonian terms, all unitaries of
the lower layer (i.e., un,1 ) apart from the ones directly con-
In the following, we call f the sum of the commutator
nected to the σ z operators cancel with their adjoints and can
norms (SCN), which will be our figure of merit. In order be replaced by identities (i.e., straight vertical lines). In the
to minimize f , we evaluate the right hand side of Eq. (5), example in the figure this corresponds to all unitaries un,1 for
which may naively appear exponentially hard in the num- n 6= x. Furthermore, all unitaries of the second layer (un,2 )
ber of sites N to evaluate. However, it is possible to break which are not directly connected to the remaining ones of the
it down into a sum of local terms, rendering the compu- first layer cancel and can be substituted by identities. This
tational complexity linear in the system size. To that implies that the x-th summand in Eq. (6) depends only on the
end, we first express the Hamiltonian as a sum of terms unitaries ux+1,1 , ux,2 , ux+1,2 . The contraction corresponding
PN
hi acting on two neighboring sites i, i + 1, H = i=1 hi . to this term is shown in Fig. 4.
PN z 2
Then, the last term of Eq. (5), i=1 tr (H τ̃i ) , can
be easily written as a sum of tensor networks, see Fig. 3.
V. NUMERICAL RESULTS
This term can be further decomposed into local parts as
depicted in Fig. 4 (using τ̃iz = Ũ σiz Ũ † )
A. Optimization method
N N
X X −1
f ({ux,y }) = N tr(H 2 ) − tr hj Ũ σiz Ũ † hk Ũ σiz Ũ † In the following section, we will approximate the eigen-
i=1 j,k=1 states of the Hamiltonian defined in (1). The model
N/` possesses U (1) symmetry (it conserves the total spin-z
PN
component), [H, i=1 Siz ] = 0. Furthermore, the Hamil-
X
= const. − fx (ux,1 , ux−1,2 , ux,2 ). (6)
x=1 tonian is time-reversal symmetric and thus real. In con-
ventional TNS, symmetries of the model can be imposed
fx (ux,1 , ux−1,2 , ux,2 ) itself is a sum of tensor networks on the individual tensors50,51 : Any TNS that is invariant
which only depend on ux,1 , ux−1,2 , and ux,2 , the Hamil- under a symmetry can be written as a (possibly differ-
tonian terms hj and the σiz operators which are connected ent) TNS, where all its individual tensors form a projec-
to those unitaries. The most expensive contraction is the tive representation of the corresponding symmetry group,
one where both Hamiltonian terms connect the two uni- that is, they are invariant up to a phase under the ac-
taries ux−1,2 , ux,2 , giving rise to a matrix multiplication tion of the symmetry. In doing so, the dimensions of the
of two 22` × 22` matrices, i.e., the overall computational tensor indices might have to be increased by some fac-
cost is of order 26` . tor that is independent of the system size. The cost of
5
ing upper and lower legs together into one single index
each. Each of these blocks, say uB , can be parameterized
by an antisymmetric real matrix AB , uB = eAB , making
the unitaries real, that is, orthogonal matrices.
In order to carry out the optimization, we pick initial
values for the antisymmetric matrices AB parameterizing
the unitaries and optimize the unitaries individually by
sweeping from the left end of the chain to the right and
back, until convergence is achieved. Crucially, each such
minimization step requires only the evaluation of a few
terms in the sum of Eq. (6). As it turns out, better
results are achieved by always optimizing two connected
unitaries at once.
We use a quasi-Newtonian routine supplied with the
gradient with respect to the parameters contained in the
matrices AB . This gradient comes almost for free in the
contraction of the tensor network of Fig. 4 if one contracts
its rows in the right order, as explained in more detail in
Appendix A.
As it turns out, the final SCN figure of merit depends
on the choice of the initial unitaries. Hence, its potential
landscape is too “bumpy” for the quasi-Newtonian algo-
rithm to find its global minimum. In some cases, where
the number of parameters is small enough we can over-
FIG. 4. Decomposition of the figure of merit (5) into local come this problem by carrying out optimizations for the
terms resulting in Eq. (6). Again, the indices of the lower wig- same disorder configuration with many random choices
gly lines are to be contracted with those of the corresponding for the initial unitaries. Additionally, at each step of the
upper wiggly lines. The shown tensor network is obtained af- sweeping process, we initialized the unitaries that are cur-
ter replacing mutually cancelling unitaries in Fig. 3 by identi- rently being optimized with at least 15 random choices,
ties (vertical lines). Those forming closed loops yield a factor and optimized over the latest set of unitaries combined
of 2 each, which results in the prefactor 2−N +2`+2 of fx shown with the ones obtained in the previous part of the sweep,
in the figure. Terms j, k where hj or hk are not connected to and proceeded with the best of them. Sampling the uni-
ux−1,2 or ux,2 yield contributions which are independent of taries in this manner allows the procedure to escape local
all unitaries ux,y and can thus be neglected in the local def-
minima and increases the likelihood of finding the global
inition of our figure of merit. Note that if hj or hk is not
connected to both ux−1,2 and ux,2 (central position), the uni-
minimum. If after optimizing over sufficiently many ini-
tary it is not connected to, contracts with its adjoint to yield tial random choices of unitaries, the best value of the
another identity, which gives some additional computational SCN figure of merit was obtained repeatedly with high
advantage. accuracy, we assumed it to be (close to) the global mini-
mum value.
We take advantage of this approach for ` = 2, where
variational optimization of TNS usually reduces tremen- U (1) and time reversal symmetry imply that the uni-
dously by imposing such symmetries on the tensors, as taries ux,y have only one non-trivial block with a sin-
they become sparse and have fewer variational parame- gle variational parameter. For larger `, each individual
ters. We implement a similar procedure for evaluating minimization starting from a given choice of the initial
the entire spectrum; time reversal symmetry (i.e., that unitaries was too expensive to perform a global minimiza-
the whole tensor network is real) can be imposed by tak- tion. In that case, we obtained best results by initializing
ing all tensors to be real. To ensure that the total spin-z the ` = 4 unitaries, such that they correspond to the best
component is conserved, each individual tensor ux,y is ` = 2 unitaries we obtained previously for the same dis-
assumed to leave the total spin-z of the block invariant, order configuration. This is straightforwardly achieved
P`
i.e. [ux,y , m=1 szm ] = 0, where szm is defined in the by defining
same Hilbert space as ux,y . Graphically speaking, this
u`=4 `=2
`=2
u2x−1,1 ⊗ u`=2
means that the sum of the spin-z components on the x,1 = 1 ⊗ u2x−1,2 ⊗ 1 2x,1 , (7)
lower legs of each tensor has to equal the sum of the u`=4 `=2
x,2 = 1 ⊗ u2x,2 ⊗ 1, (8)
spin-z components of the upper legs (remember that all
indices have dimension two, corresponding to spin-1/2 where 1 = ( 10 01 ). Note that the obtained ` = 4 unitaries
particles). All tensor entries whose indices do not fulfill are also real and invariant under U (1) symmetry. Un-
this requirement are forced to be zero. This leads to a fortunately, for ` = 6 it is not possible to initialize the
block structure of the matrix which is obtained by group- unitaries with the best ` = 4 result (as no such blocking
6
FIG. 6. Comparison of the optimized tensor network Ũ for FIG. 7. Comparison of the optimized tensor network Ũ using
` = 6 with exact diagonalization for N = 12 and a single dis- four layers in the ansatz of Fig. 1 with exact diagonalization
order realization at W = 6. The approximate eigenstates are for N = 12 and the same disorder realization as in Fig. 5
given by the columns of Ũ and the energies are given by the (i.e., W = 6). If one imposes U (1) symmetry (a), we ob-
diagonal elements of Ũ † H Ũ . The exact diagonalization and tain an optimized SCN figure of merit of f /2N = 0.2372 and
tensor network results are compared by ordering the energies thus hardly any improvement as compared to the two-layer
and the diagonal elements, respectively. (a) Distribution of ansatz, which gives 0.2560. For a full parameterization of the
the overlap of the exact and the matched eigenstates. (b) Dis- unitaries (b), we obtain f /2N = 0.0645, which is a signifi-
tribution of the expectation value of σiz over the sites and the cant improvement, but still far behind our result using four
eigenstates obtained from exact diagonalization (light brown) legs per unitary as well as being computationally much more
and the TNS (blue). expensive. The mean level spacing was 0.0095, indicated by
dashed lines.
sition the size and the entanglement of the subcluster location of the peak is at a weaker disorder than the es-
grows with N , while on the localized side of the quan- timates from exact diagonalization, it is drifting in the
tum critical regime, the entanglement remains small. By direction of increasing W with increasing `.
varying ` and N in our TN ansatz, it may be feasible to The accurate construction of all eigenstates in the
access this regime numerically which is a question suit- FMBL phase and in the vicinity of the MBL-ETH transi-
able for future work. tion for large system sizes opens the door to study several
fascinating phenomena associated with the subject. As a
by-product of the procedure, using our optimized unitary
VI. CONCLUSIONS AND OUTLOOK one directly obtains the approximate qLIOM operators
in the localized phase. The ability to vary ` and study
In this work we have made several significant advances eigenstates in the vicinity of the MBL-ETH transition
in efficiently approximating the entire spectrum of fully suggests that our procedure may be able to capture
many-body localized systems. Besides improving upon some of the scaling properties on the localized side of
the tensor network ansatz proposed in Ref. [43], we also the quantum critical regime of the transition. Given the
optimize the network by minimizing a different figure of efficiency of the method, it may be feasible to scale the
merit (the SCN) given by the magnitude of the commu- procedure to numerically address the question of many-
tator of the Hamiltonian and the approximate qLIOMs body localization in two dimensions. Since, MBL of
produced by the tensor network ansatz. This figure of Floquet systems have a structure similar to that of static
merit can be evaluated by decomposing into strictly lo- Hamiltonians, our method can be generalized to study
cal terms and further provides significant computational the spectrum of Floquet systems exhibiting MBL as well.
advantages from the cancellation of unitaries as shown in
Fig. 4.
Further, we have extended the 2-leg, multi-layer ten-
ACKNOWLEDGMENTS
sor network ansatz for FMBL systems43 to unitaries with
several legs while keeping the number of layers fixed at
two. We have shown that compared to increasing the S.H.S. and T.B.W. are both supported by TOPNES,
number of layers, the extension to multiple legs (l-legs) EPSRC grant number EP/I031014/1. S.H.S. is also sup-
is far more computationally efficient — obtaining (expo- ported by EPSRC grant EP/N01930X/1. The work of
nentially) higher accuracies for the same system size and A.P. was performed in part at the Aspen Center for
computational cost. Physics, which is supported by National Science Founda-
By comparing the energies and eigenstates evaluated tion grant PHY-1066293. Statement of compliance with
using TNS to exact diagonalization for a chain of 12 EPSRC policy framework on research data: This publica-
sites, we demonstrated that our figure of merit (SCN) tion is theoretical work that does not require supporting
reflects the accuracy of our method. In the regime where research data.
the figure of merit is small, the energy eigenvalues from
the TNS and exact diagonalization match extremely well.
Furthermore, the distribution of expectation values of lo- Appendix A: Calculation of the gradient
cal observables in the eigenstates also matches very well
with the exact diagonalization calculation. Therefore, As pointed out in subsection V A, due to the presence
this method is able to approximate the entire spectrum of U (1) and time reversal symmetry, we parameterize the
with all the eigenstates to a high degree of accuracy. unitaries in terms of real antisymmetric matrices AB cor-
We observed that the SCN (normalized by 2N ) in- responding to the blocks B of conserved U (1) charge. For
creases linearly with the system size. This shows that ` = 4, 6 the optimization gets tremendously sped up by
our method only incurs a constant error per lattice site, providing the gradient of the function to be minimized.
i.e. on implementing our scheme to larger systems, for Hence, the derivative is, calling {am x,y } the parameters
fixed `, local observables can be calculated with a size- contained in all blocks AB corresponding to a certain
independent accuracy. Hence, our approximation can be unitary ux,y ,
readily used for large system sizes.
∂fx (ux,1 ,ux−1,2 ,ux,2 )
In the strongly disordered regime, the error as mea- −
∂am , if y = 1
x,y
sured by the SCN decreases exponentially with the num- ∂f ({u})
∂fx (ux,1 ,ux−1,2 ,ux,2 ) ∂f (u ,ux,2 ,ux+1,2 )
= − ∂am − x+1 x+1,1 ∂am ,
ber of legs per unitary. At weaker disorder on approach- ∂amx,y
x,y x,y
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