Tensor Networks For Complex Quantum Systems
Tensor Networks For Complex Quantum Systems
Román Orús1, 2
1
Donostia International Physics Center, Paseo Manuel de Lardizabal 4, E-20018 San Sebastián, Spain
2
Ikerbasque Foundation for Science, Maria Diaz de Haro 3, E-48013 Bilbao, Spain
Tensor network states and methods have erupted in recent years. Originally developed in the
context of condensed matter physics and based on renormalization group ideas, tensor networks lived
a revival thanks to quantum information theory and the understanding of entanglement in quantum
many-body systems. Moreover, it has been not-so-long realized that tensor network states play a key
role in other scientific disciplines, such as quantum gravity and artificial intelligence. In this context,
here we provide an overview of basic concepts and key developments in the field. In particular, we
briefly discuss the most important tensor network structures and algorithms, together with a sketch
arXiv:1812.04011v2 [cond-mat.str-el] 22 Jun 2019
on advances related to global and gauge symmetries, fermions, topological order, classification of
phases, entanglement Hamiltonians, AdS/CFT, artificial intelligence, the 2d Hubbard model, 2d
quantum antiferromagnets, conformal field theory, quantum chemistry, disordered systems, and
many-body localization.
the so-called “disentanglers”, which are unitary opera- matrix components,i ' s this reads
tors that account for entanglement amongst neighbour- χ χ
ing sites. Thus, MERAs are made from unitaries and
X X
Uiα Λαβ V † Uiα λα V †
Ψij = βj
= αj
,
isometries, and have a number of remarkable properties. α,β=1 α=1
For instance, they can handle the entanglement entropy
of critical 1d systems [25]. Moreover, they are efficiently or in diagrammatic form
contractable. They have an extra holographic dimen-
sion that encodes a renormalization scale, related to the ⇤
= V† ,
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(g) (h)
III. MAIN ALGORITHMS (f)
pute the time evolution of an MPS. If the evolution is in to the variational optimization of the expectation value
real-time, then it allows to compute dynamics as long as of a Hamiltonian, the so-called Variational Uniform MPS
the state remains slightly entangled. If it is in imaginary- (VUMPS) algorithm [47]. The asymptotic computational
time, then it allows to approximate ground states and is a cost of this family of methods for 1d systems is similar
plausible alternative to DMRG. TEBD has also been ap- to the one of other MPS approaches, i.e., O(χ3 ) for an
plied successfully to infinite-size systems (infinite-TEBD) infinite-size MPS of bond dimension χ.
[41]. The asymptotic scaling of the computational cost
is similar to the one of DMRG, i.e., O(χ3 ) for an MPS (vi) Other: people have used other strategies to de-
of bond dimension χ with open boundary conditions. velop new algorithms focusing on the properties of MPS.
TEBD is based on the canonical form of an MPS [42] Examples are alternative methods to simulate time evo-
and the truncation of the MPS bond dimension via SVD, lution in 1d [48], and to simulate open quantum dynam-
which provides an optimal local approximation between ics, including non-Markovian processes [49] and effective
MPS formally justified only for TNs without loops. This small reservoirs [50].
truncation scheme is similar to the one in the so-called
“2-site DMRG”, where tensors for two sites (and not just
one) are optimized by a variational update following an B. Methods to contract 2d tensor networks
SVD.
Here we consider methods to contract a TN without
(iii) Tree Tensor Networks (TTN): in addition to open indices, focusing mostly on methods to compute ef-
MPS, TTNs are also a useful tool to study 1d sys- fective environments from 2d PEPS. This is a key step in
tems. Concerning this, the procedures used in DMRG the simulation of 2d quantum lattice systems. The same
and TEBD have been extended also to TTNs to study methods can also be considered for 2d classical partition
1d gapped and critical systems [22, 23]. This is possible functions, and with some modifications they can also be
given the absence of loops in the TTN. The computa- used for 3d classical and quantum systems. In fact,
tional cost depends on the specifics of the tree, but typ- many of these methods were originally developed in the
ically it can be boiled down to O(χ4 ), with χ the bond context of 2d classical statistical mechanics, see for in-
dimension of the TTN [22]. stance the 1982 book by Baxter in Ref. [3].
(iv) 1d MERA: the MERA [13] can also be used as a (i) Boundary MPS: this was the first method used to
variational ansatz to approximate ground-state proper- approximate the environment of a site on a 2d PEPS,
ties. For the case of 1d systems, this has been done both both for finite [12] and infinite [51] systems. The idea is
for gapped [13] and critical [25] systems. The variational to contract the full 2d lattice starting from a boundary
optimization is however tricker than for, e.g., DMRG, (either an actual boundary for finite systems, or placing
because of the constraints on the tensors (they must be it manually at infinity for systems in the thermodynamic
unitaries and isometries). Such optimization can be done limit), with boundary tensors forming an MPS. The algo-
by using a number of techniques, as explained in detail rithm proceeds by contracting 1d MPOs made of lattice
in Ref. [43]. Overall, the computational cost depends on tensors into the MPS, mimicking a non-unitary time evo-
the actual structure of the MERA. For instance, for the lution that can be treated, e.g., with the techniques from
so-called binary MERA the cost is O(χ9 ), whereas for Ref. [42]. For a PEPS of bond dimension D and a bound-
the so-called ternary MERA the cost is O(χ8 ), and for ary MPS of bond dimension χ, the computational cost
the so-called modified-binary MERA it is O(χ7 ) [25]. of this scheme for a 2d square lattice is O(χ3 D6 + χ2 D8 )
for a horizontal/vertical boundary, and O(χ3 D4 + χ2 D6 )
(v) Tangent Space Methods [44]: a whole new family for a diagonal boundary [1, 51].
of methods is based on the idea that MPS can be under-
stood as a manifold, in the sense of differential geome- (ii) Corner Transfer Matrices (CTM): this is a pop-
try. With this in mind, it is possible to obtain a variety ular approach nowadays because it is relatively easy to
of highly-efficient and accurate methods using the con- implement and produces good-quality results. Focusing
cept of tangent space of the MPS manifold. A remark- on a 2d square lattice of tensors, the idea is to find renor-
able example is the Time-Dependent Variational Prin- malized (coarse-grained) approximations to the tensors
ciple (TDVP) algorithm [45] for MPS. This algorithm amounting to the contraction of all the tensors on the cor-
uses concepts of differential geometry to compute the ners. Such tensors are the CTMs, which are well-known
time evolution of an MPS either in real or imaginary- objects in the context of exactly-solvable statistical me-
time, without the need of a Trotter decomposition (as in chanical models. There are several schemes for dealing
TEBD) and preserving naturally all the spatial symme- and finding such CTMs [3, 52–54]. The computational
tries of the physical system. The idea also allows for the cost depends on the specifics of the implementation. To
computation of low-energy excitations and energy bands have an idea, the method from Ref. [53] has a cost of
by means of an ansatz with well-defined momentum [46]. O(χ3 D6 ) for a PEPS of bond dimension D and a CTM
The formalism of the tangent space can also be applied of bond dimension χ.
6
(iii) Tensor coarse-graining: in this approach the main of the cylinder or the width of the stripe. This approach
idea is to coarse-grain the network, by finding new renor- has been very successful in determining properties of the
malized tensors amounting for a “zoom-out” and which 2d t−J model [65] as well as the spin liquid nature of the
take into account the main features of the TN at long dis- ground state of the Kagome Heisenberg Antiferromagnet
tances. This is similar to a Kadanoff blocking for clas- (KHAF) [66]. An interesting evolution of 2d DMRG is
sical statistical mechanical models. Many schemes fall to combine position and momentum basis for both di-
into this category, each one with its own advantages and rections, showing better performance in some situations
drawbacks: Tensor Renormalization Group (TRG) [55], [67]. Still, the computational cost of 2d DMRG is even-
Second Renormalization Group (SRG) [56], Higher Or- tually doomed for large 2d systems due to an exponential
der TRG (HOTRG), Higher Order SRG (HOSRG) [57], entanglement wall in the transverse direction that cannot
Tensor Entanglement-Filtering Renormalization (TEFR) be handled by an MPS with finite bond dimension.
[58], Tensor Network Renormalization (TNR) [59], loop-
TNR [60] and TNR+ [61]. The specifics of the implemen- (ii) 2d TTNs: TTNs have also been used to study 2d
tation for each one of these cases is different. However, systems, since their structure can be easily adapted for
the idea is that one typically contracts tensors, defining such geometries [24]. Still, and as in the 2d DMRG case,
a new lattice in terms of some new tensors that amount the underlying TN structure has inherently 1d built-
for the contraction. The new tensors are then renormal- in correlations because of the absence of loops in the
ized by truncating their bond indices with some isome- network, which again implies exponential entanglement
tries. The prescription for how to find such isometries is walls and therefore only relatively good accuracy depend-
what defines the different schemes. Some schemes (such ing on the system and regime. Still, they can be pretty
as TNR) also remove local entanglement before blocking useful since their associated algorithms are quite efficient
the tensors. The computational cost of each scheme can (as in 1d). For instance, they have been used to study
also be very different depending on the implementation. confinement / deconfinement transitions of 2d Z2 lattice
As an example, for a classical partition function with a gauge theories [68].
TN structure of bond dimension χ on a square lattice,
the SRG method has a cost of O(χ10 ) [62]. (iii) PEPS: numerical algorithms based on PEPS are
well-suited to tackle 2d systems. A PEPS has inherently-
(iv) Nested tensor network [63]: this approach is not a built truly 2d correlations and, as such, is a natural
contraction scheme in itself (as the previous cases), but ansatz to study a wide variety of 2d systems. People have
rather the idea of projecting the tensors of a 3d TN on a considered the ansatz for finite-size systems, the so-called
2d plane, so that the resulting 2d TN can be contracted finite-PEPS [12, 69], but also for infinite systems, the so-
by any of the three strategies (i) – (iii) above. An exam- called infinite-PEPS (iPEPS) [51]. There are different
ple is the TN for the norm of a 2d PEPS with bond di- ways of optimizing the tensors of a PEPS to obtain ap-
mension D, where bra and ket tensors are shifted with re- proximations of ground states. For instance, variational
spect to each other, thus producing a new 2d TN similar updates (both for finite [69] and infinite [70] PEPS), as
to a 2d partition function with bond dimension D. Such well as imaginary-time evolution via simple [71], full [51]
a 2d TN can thus be contracted more efficiently than the and fast-full [72] updates. Simple updates are very ef-
one obtained with a double-layer approach, which has ficient but not necessarily accurate, while full and fast
bond dimension D2 . full updates take into account the effect of the environ-
ment when optimizing a PEPS tensor and are therefore
slower but more accurate. Such environments are usu-
C. Methods to obtain 2d states ally computed via the renormalization methods to con-
tract 2d TNs explained in the previous section, i.e., using
Let us now focus on techniques to obtain TN states boundary MPS, CTMs, and tensor coarse-graining. Fur-
for 2d quantum lattice systems. As we shall see, in some thermore, recently it was also shown how to compute
cases the techniques explained before for 1d systems and excited states with PEPS for 2d systems [73], and how
2d TN contractions will turn out to be fundamental. to do accurate extrapolations in the bond dimension [74].
The computational cost of PEPS algorithms heavily de-
(i) 2d DMRG: people have considered using DMRG pends on the type of algorithm chosen. For instance, for
also to study 2d systems [64]. Even if, by construction, a square lattice, simple-update algorithms with a mean-
DMRG produces an MPS and is therefore a priory better- field environment [75] have a cost of O(D5 ), whereas full
suited to deal with gapped 1d local Hamiltonians, the and fast full updates have a cost of O(χ3 D6 ) (and with a
technique has also seen a lot of success in 2d because prefactor that could be large), with χ and D respectively
of its efficiency. The idea behind 2d DMRG is to have a the environment and PEPS bond dimensions.
stripe, or wrap the 2d system around a cylinder, and then
use MPS as an ansatz for the 2d lattice following a snake (iv) 2d MERA: The MERA has also been used as a
pattern. The true 2d properties of the system are recov- variational ansatz to approximate ground states of 2d
ered by doing careful finite-size scaling with the thickness quantum lattice systems, see for instance Refs. [76–78].
7
The computational cost of the approach strongly depends (v) More synergies: while the most relevant “com-
on the type of lattice as well as the specific choice of bined” methods are sketched above, there have been
unitaries and disentanglers. For instance, the approach in further developments in other directions which are also
Ref. [76] for an infinite square lattice has a computational worth mentioning. For instance, the so-called Entangle-
cost of O(χ16 ), with χ the MERA bond dimension. ment Continuous Unitary Transformations (eCUT) [86]
showed how to mix the idea of continuous unitary trans-
formations and Wegner’s flow [87] with TNs, by truncat-
D. Combined methods ing the flow equation in its operator-entanglement con-
tent. Moreover, TNs have also been used in combination
There have also been developments where TNs have with perturbation theory, e.g., in Ref. [88] it was shown
been combined with other existing methods, or where how to construct an exact 2d PEPS up to a given order
TNs have been useful to understand other existing tech- in perturbation theory. Another fruitful combination has
niques. Some of these developments are briefly sketched been that of TNs and the randomized SVD [89], which is
in this section. proven to improve the efficiency of numerical algorithms
such as TBED, DMRG and TRG [90]. TN states have
(i) Monte Carlo TNs: Monte Carlo methods have been also been used to develop generalized Lanczos methods
used together with TN techniques in several ways. For [91]. Finally, TN states were also useful to understand
instance, people have implemented Monte Carlo sam- the mathematical structure of exactly-solvable systems,
pling to do variational optimizations over TNs, as well as e.g., the algebraic Bethe ansatz [92], the fermionic Fourier
approximate calculations of effective environments [79]. transform [93], the XY spin chain [94], and Kitaev’s hon-
In the context of string-bond and plaquette-entangled eycomb model [95].
states, Monte Carlo has been used also as a sampling
technique for optimization and expectation value cal-
culation [80]. The combination with Monte Carlo al- IV. THE ROLE OF SYMMETRIES
lows in principle to reach higher bond dimension in the
calculations, at the cost of the length of the sampling. In this section we briefly overview the effect of symme-
For instance, the cost of these methods when combined tries in TNs. We sketch why having a symmetry implies
with MPS for periodic boundary conditions is typically a tensor factorization, and its important consequences.
O(N χ3 ), with χ the MPS bond dimension and N the We also comment some basic aspects of fermionic ten-
length of the (finite) 1d system, and with a prefactor sor networks as a special case, as well as gauge symme-
that depends on the number of samples. tries, topological order, and the classification of quantum
phases of matter.
(ii) TNs for Density Functional Theory (DFT): DFT
is one of the most popular numerical approaches to
perform ab-initio calculations of real materials and A. Global symmetries
molecules. In this context, TNs (and specially MPS)
were used to produce systematic approximations to the The implementation of global symmetries in TN al-
exchange-correlation potential of electronic systems [81]. gorithms has been considered (at least) since the early
years of DMRG, and it is well-known that it can lead
(iii) TNs for Dynamical Mean-Field Theory (DMFT): to important computational advantages. People have ex-
TNs have also found important applications in DMFT. ploited this fact specially in DMRG [96], the 1d MERA
In particular, in a series of works [82] it has been shown [97] and 2d PEPS [98], both for abelian symmetries such
that MPS techniques can be used as a high-accuracy and as U (1) particle-conservation, but also for non-abelian
low-cost impurity solver, including applications to non- symmetries such as SU (2) rotation-invariance. For fur-
equilibrium systems. ther details we refer the reader to, e.g., Refs.[97, 99, 100],
which provide in-depth overviews. In addition to numer-
(iv) TNs and wavelets: recently, a number of connec- ical advantages, an important theoretical consequence is
tions have also been stablished between wavelet transfor- that the so-called spin networks appear naturally from
mations and TNs. More specifically, in Ref. [83] it was TN states with symmetries. Spin networks are used, e.g.,
shown how Daubechies wavelets could be used to build an in loop quantum gravity to describe quantum states of
analytic approximation to the ground state of the 1d crit- space at a certain point in time [101]. In this sense, TNs
ical Ising model which, in turn, correspond to instances with symmetries turn out to offer not only efficient nu-
of the 1d MERA. Additionally, Ref. [84] showed how the merical methods for complex quantum systems, but also
structure of wavelet transformations adapts to that of a a very intriguing connection between quantum entangle-
quantum circuit, and Ref. [85] showed how the ground ment and gravity.
state of some fermionic systems could be understood via When dealing with local symmetries in TN states,
entanglement renormalization also using the language of Schur’s lemma [102] ultimately implies that symmetric
wavelets. tensors can be decomposed in two pieces: one completely
8
B. Emergent geometry
Such probabilistic models usually have the form of a C. Conformal field theory
TTN or even an MPS, i.e., loop-free TNs. In turn, this
also matches the empirical observation that convolutional We discussed before the role of the MERA TN in the
neural networks are quite good at language processing. AdS/CFT correspondence. However, we would like to
In connection with the results commented in the previ- stress a number of recent results where TNs directly tar-
ous section, it is clear that this is indeed so because such get properties of CFTs, not necessarily with the holo-
neural networks are TTNs, which encode the RG struc- graphic duality in mind. In this respect, and always in
ture of language found in Ref. [160], and are therefore the context of (1+1)d CFTs, Ref. [165] showed how to
naturally well-suited for this task. do the quotient of a MERA representation of the vacuum
taking it to a thermal state. Ref. [166] showed how to
describe and coarse-grain the partition function of the 2d
critical Ising model in the presence of topological confor-
VII. FURTHER TOPICS mal defects. Moreover, Ref. [167] studied how space-time
symmetries are reflected in the cMERA of a free boson
There are many other interesting results that have to CFT, Ref. [168] explored the TN description of conformal
do with TN states and methods, and which were not dis- transformations, and Ref. [169] proposed the interpreta-
cussed so far. For obvious reasons we cannot summarize tion of such TNs as path integrals on curved spacetime.
all of them here. Nevertheless, here we sketch a few of In addition to this, and in connection to topological or-
them which we believe are worth pointing out. der, Ref. [170] investigated the mapping of topological
quantum field theories to CFTs using 2d TNs. This fam-
ily of results establishes a valuable dictionary between
TNs and CFTs.
A. 2d Hubbard model
D. Quantum chemistry
The Hubbard model tries to capture the dynamics of
electrons hopping on a lattice. In 2d, it is believed to be
related to high-temperature superconductivity, but un- TN numerical methods have also found important ap-
fortunately its phase diagram has not been conclusively plications in quantum chemistry. For instance, DMRG
determined yet, even in the single-band approximation. has been used in this context already since some time
In this context, it is worth mentioning that the best vari- ago [171]. The reordering of the fermionic orbitals has
ational ground state energies computed so far for this also been considered with MPS simulations [172]. For a
model in the strongly correlated regime have been with discussion on recent TN approaches to quantum chem-
TNs, specifically with the iPEPS algorithm for fermions istry, see also Ref. [173].
[74]. Other related simpler fermionic models, such as the
t − J model, have also been simulated successfully us-
ing a variety of TN techniques, including 2d DMRG and E. Disorder and many-body localization
iPEPS [65, 161].
Several TN methods have been proposed to deal with
disordered systems [174]. Moreover, many-body local-
ized (MBL) phases have also been studied using tailored
B. 2d quantum antiferromagnetism numerical TN methods. For instance, in Ref. [175] a
spectral tensor network was explored to represent all the
The antiferromagetic Heisenberg model on the Kagome spectrum of energy eigenstates. In Ref. [176] a varia-
lattice is the archetypical example of a frustrated mag- tional method over unitary MPOs was proposed to diag-
net. Its ground state has remained elusive until recently, onalize MBL Hamiltonians. An alternative TN encoding
where 2d DMRG simulations unveiled that it is a quan- of all eigenstates of MBL systems in 1d was proposed in
tum spin liquid [66]. Other TN methods have also at- Ref. [177]. Finally, TNs were used to prove the robust-
tacked this problem, including 2d MERA with a specific ness of MBL phases with SPT order [178].
disentangling structure [77], Projected Entangled Sim-
plex States (PESS) [162], and iPEPS on coarse-grained
lattices [163]. Some of these simulations are compatible VIII. OUTLOOK
with a gapless quantum spin liquid ground state, but so
far could not produce better energies than those obtained This paper is an overview of developments around TN
with 2d DMRG. Other models of quantum antiferromag- states and methods along different directions. We try
netism have also been studied via TNs. For example, to collect valuable information, including basic notions
iPEPS have been used extensively in the study of SU (N ) and bits of the overall current perspective. It is of course
magnets [164]. impossible to cover all the developments, but hopefully
12
we were able to summarize some of the key ones. Im- • Gauge symmetry: an operation that leaves invari-
portantly, notice that applications go well beyond quan- ant the system, and which has the freedom to act
tum science. It is thus important to keep in mind that, differently at every point in the system.
in such cross-over applications (e.g., to artificial intelli-
gence), typical properties of quantum mechanics are lost, • Topological order: a type of order in quantum mat-
such as unitarity. In such contexts one must therefore ter entirely due to global entanglement properties,
keep in mind that the TNs codify not a entanglement and which does not exist classically. Other charac-
structure of a complex system, but rather the structure terizations: excitations are anyonic, the topological
of its generalized correlations, shall these be quantum or entanglement entropy is non-zero, ground states are
not. topologically degenerate, reduced density matrices
Our vision is that TNs will continue finding numeri- are locally equivalent...
cal and theoretical applications, both along established
research directions, but also along new ones yet to be dis- • Chiral system: a system that breaks time-reversal
covered. The lesson we learnt over the years is that wher- symmetry.
ever one finds correlations, there may be a TN behind. • Renormalization: the process of removing degrees
And sometimes this leads to unexpected connections and of freedom that are not relevant to describe a com-
pleasant surprises, pushing forward the boundaries of sci- plex system at different scales of some physical vari-
ence. able (energy, length...).
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