quimb.tensor.tensor_dmrg¶

DMRG-like variational algorithms, but in tensor network language.

Exceptions¶

DMRGError

Common base class for all non-exit exceptions.

Classes¶

`MovingEnvironment`	Helper class for efficiently moving the effective 'environment' of a
`DMRG`	Density Matrix Renormalization Group variational groundstate search.
`DMRG1`	Simple alias of one site `DMRG`.
`DMRG2`	Simple alias of two site `DMRG`.
`DMRGX`	Class implmenting DMRG-X [1], whereby local effective energy eigenstates

Functions¶

`get_default_opts`([cyclic])	Get the default advanced settings for DMRG.
`get_cyclic_canonizer`(k, b[, inv_tol])	Get a function to use as a callback for `MovingEnvironment` that
`parse_2site_inds_dims`(k, b, i)	Sort out the dims and inds of:

Module Contents¶

quimb.tensor.tensor_dmrg.get_default_opts(cyclic=False)[source]¶

Get the default advanced settings for DMRG.

Returns:

default_sweep_sequence (str) – How to sweep. Will be repeated, e.g. “RRL” -> RRLRRLRRL…, default: R.
bond_compress_method ({‘svd’, ‘eig’, …}) – Method used to compress sites after update.
bond_compress_cutoff_mode ({‘sum2’, ‘abs’, ‘rel’}) – How to perform compression truncation.
bond_expand_rand_strength (float) – In DMRG1, strength of randomness to expand bonds with. Needed to avoid singular matrices after expansion.
local_eig_tol (float) – Relative tolerance to solve inner eigenproblem to, larger = quicker but more unstable, default: 1e-3. Note this can be much looser than the overall tolerance, the starting point for each local solve is the previous state, and the overall accuracy comes from multiple sweeps.
local_eig_ncv (int) – Number of inner eigenproblem lanczos vectors. Smaller can mean quicker.
local_eig_backend ({None, ‘AUTO’, ‘SCIPY’, ‘SLEPC’}) – Which to backend to use for the inner eigenproblem. None or ‘AUTO’ to choose best. Generally 'SLEPC' best if available for large problems, but it can’t currently handle LinearOperator Neff as well as 'lobpcg'.
local_eig_maxiter (int) – Maximum number of inner eigenproblem iterations.
local_eig_ham_dense (bool) – Force dense representation of the effective hamiltonian.
local_eig_EPSType ({‘krylovschur’, ‘gd’, ‘jd’, …}) – Eigensovler tpye if local_eig_backend='slepc'.
local_eig_norm_dense (bool) – Force dense representation of the effective norm.
periodic_segment_size (float or int) – How large (as a proportion if float) to make the ‘segments’ in periodic DMRG. During a sweep everything outside this (the ‘long way round’) is compressed so the effective energy and norm can be efficiently formed. Tradeoff: longer segments means having to compress less, but also having a shorter ‘long way round’, meaning that it needs a larger bond to represent it and can be ‘pseudo-orthogonalized’ less effectively. 0.5 is the largest fraction that makes sense. Set to >= 1.0 to not use segmentation at all, which is better for small systems.
periodic_compress_method ({‘isvd’, ‘svds’}) – Which method to perform the transfer matrix compression with.
periodic_compress_norm_eps (float) – Precision to compress the norm transfer matrix in periodic systems.
periodic_compress_ham_eps (float) – Precision to compress the energy transfer matrix in periodic systems.
periodic_compress_max_bond (int) – The maximum bond to use when compressing transfer matrices.
periodic_nullspace_fudge_factor (float) – Factor to add to Heff and Neff to remove nullspace.
periodic_canonize_inv_tol (float) – When psuedo-orthogonalizing, an inverse gauge is generated that can be very ill-conditioned. This factor controls cutting off the small singular values of the gauge to stop this.
periodic_orthog_tol (float) – When psuedo-orthogonalizing, if the local norm is within this distance to 1 (pseudo-orthogonoalized), then the generalized eigen decomposition is not used, which is much more efficient. If set too large the total normalization can become unstable.

class quimb.tensor.tensor_dmrg.MovingEnvironment(tn, begin, bsz, *, cyclic=False, segment_callbacks=None, ssz=0.5, eps=1e-08, method='isvd', max_bond=-1, norm=False)[source]¶

Helper class for efficiently moving the effective ‘environment’ of a few sites in a 1D tensor network. E.g. for begin='left', bsz=2, this initializes the right environments like so:

n - 1: ●─●─●─     ─●─●─●
       │ │ │       │ │ │
       H─H─H─ ... ─H─H─H
       │ │ │       │ │ │
       ●─●─●─     ─●─●─●

n - 2: ●─●─●─     ─●─●─╮
       │ │ │       │ │ ●
       H─H─H─ ... ─H─H─H
       │ │ │       │ │ ●
       ●─●─●─     ─●─●─╯

n - 3: ●─●─●─     ─●─╮
       │ │ │       │ ●●
       H─H─H─ ... ─H─HH
       │ │ │       │ ●●
       ●─●─●─     ─●─╯

...

0    : ●─●─╮
       │ │ ●●   ●●●
       H─H─HH...HHH
       │ │ ●●   ●●●
       ●─●─╯

which can then be used to efficiently generate the left environments as each site is updated. For example if bsz=2 and the environements have been shifted many sites into the middle, then MovingEnvironment() returns something like:

     <---> bsz sites
    ╭─●─●─╮
●●●●● │ │ ●●●●●●●
HHHHH─H─H─HHHHHHH
●●●●● │ │ ●●●●●●●
    ╰─●─●─╯
0 ... i i+1 ... n-1

For periodic systems MovingEnvironment approximates the ‘long way round’ transfer matrices. E.g consider replacing segment B (to arbitrary precision) with an SVD:

╭───────────────────────────────────────────────╮
╰─A─A─A─A─A─A─A─A─A─A─A─A─B─B─B─B─B─B─B─B─B─B─B─╯
  │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │ │           ==>
╭─A─A─A─A─A─A─A─A─A─A─A─A─B─B─B─B─B─B─B─B─B─B─B─╮
╰───────────────────────────────────────────────╯

╭┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄╮
┊   ╭─A─A─A─A─A─A─A─A─A─A─A─A─╮   ┊                       ==>
╰┄<BL │ │ │ │ │ │ │ │ │ │ │ │ BR>┄╯
    ╰─A─A─A─A─A─A─A─A─A─A─A─A─╯
      ^                     ^
segment_start          segment_stop - 1

╭┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄╮
┊   ╭─A─A─╮                        ┊                      ==>
╰┄<BL │ │ AAAAAAAAAAAAAAAAAAAAABR>┄╯
    ╰─A─A─╯
      ...
    <-bsz->

╭┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄┄╮
┊               ╭─A─A─╮           ┊                       ==>
╰~<BLAAAAAAAAAAA  │ │ AAAAAAAABR>~╯
                ╰─A─A─╯
                  i i+1
     -----sweep--------->

Can then contract and store left and right environments for efficient sweeping just as in non-periodic case. If the segment is long enough (50+) sites, often only 1 singular value is needed, and thus the efficiency is the same as for OBC.

Parameters:

tn (TensorNetwork) – The 1D tensor network, should be closed, i.e. an overlap of some sort.
begin ({'left', 'right'}) – Which side to start at and sweep from.
bsz (int) – The number of sites that form the the ‘non-environment’, e.g. 2 for DMRG2.
ssz (float or int, optional) – The size of the segment to use, if float, the proportion. Default: 1/2.
eps (float, optional) – The tolerance to approximate the transfer matrix with. See replace_with_svd().
cyclic (bool, optional) – Whether this is a periodic MovingEnvironment.
segment_callbacks (sequence of callable, optional) – Functions with signature callback(start, stop, self.begin), to be called every time a new segment is initialized.
method ({'isvd', 'svds', ...}, optional) – How to perform the transfer matrix compression if PBC. See replace_with_svd().
max_bond (, optional) – If > 0, the maximum bond of the compressed transfer matrix.
norm (bool, optional) – If True, treat this MovingEnvironment as the state overlap, which enables a few extra checks.

Notes

Does not necessarily need to be an operator overlap tensor network. Useful for any kind of sweep where only local tensor updates are being made. Note that only the current site is completely up-to-date and can be modified with changes meant to propagate.

tn¶

begin¶

bsz¶

cyclic = False¶

L¶

_site_tag_id¶

site_tag(i)[source]¶

init_segment(begin, start, stop)[source]¶: Initialize the environments in range(start, stop) so that one can start sweeping from the side defined by begin.

init_non_segment(start, stop)[source]¶: Compress and label the effective env not in range(start, stop) if cyclic, else just add some dummy left and right end pieces.

move_right()[source]¶

move_left()[source]¶

move_to(i)[source]¶: Move this effective environment to site i.

__call__()[source]¶: Get the current environment.

quimb.tensor.tensor_dmrg.get_cyclic_canonizer(k, b, inv_tol=1e-10)[source]¶: Get a function to use as a callback for MovingEnvironment that approximately orthogonalizes the segments of periodic MPS.

quimb.tensor.tensor_dmrg.parse_2site_inds_dims(k, b, i)[source]¶

Sort out the dims and inds of:

---O---O---
   |   |

For use in 2 site algorithms.

exception quimb.tensor.tensor_dmrg.DMRGError[source]¶

Bases: Exception

Common base class for all non-exit exceptions.

class quimb.tensor.tensor_dmrg.DMRG(ham, bond_dims, cutoffs=1e-09, bsz=2, which='SA', p0=None)[source]¶

Density Matrix Renormalization Group variational groundstate search. Some initialising arguments act as defaults, but can be overidden with each solve or sweep. See get_default_opts() for the list of advanced options initialized in the opts attribute.

Parameters:

ham (MatrixProductOperator) – The hamiltonian in MPO form.
bond_dims (int or sequence of ints.) – The bond-dimension of the MPS to optimize. If bsz > 1, then this corresponds to the maximum bond dimension when splitting the effective local groundstate. If a sequence is supplied then successive sweeps iterate through, then repeate the final value. E.g. [16, 32, 64] -> (16, 32, 64, 64, 64, ...).
cutoffs (dict-like) – The cutoff threshold(s) to use when compressing. If a sequence is supplied then successive sweeps iterate through, then repeate the final value. E.g. [1e-5, 1e-7, 1e-9] -> (1e-5, 1e-7, 1e-9, 1e-9, ...).
bsz ({1, 2}) – Number of sites to optimize for locally i.e. DMRG1 or DMRG2.
which ({'SA', 'LA'}, optional) – Whether to search for smallest or largest real part eigenvectors.
p0 (MatrixProductState, optional) – If given, use as the initial state.

state¶

The current, optimized state.

Type:: MatrixProductState

energy¶

The current most optimized energy.

Type:: float

energies¶

The total energy after each sweep.

Type:: list of float

local_energies¶

The local energies per sweep: local_energies[i, j] contains the local energy found at the jth step of the (i+1)th sweep.

Type:: list of list of float

total_energies¶

The total energies per sweep: local_energies[i, j] contains the total energy after the jth step of the (i+1)th sweep.

Type:: list of list of float

opts¶

Advanced options e.g. relating to the inner eigensolve or compression, see get_default_opts().

Type:: dict

(bond_sizes_ham)

If cyclic, the sizes of the energy environement transfer matrix bonds, per segment, per sweep.

Type:: list[list[int]]

(bond_sizes_norm)

If cyclic, the sizes of the norm environement transfer matrix bonds, per segment, per sweep.

Type:: list[list[int]]

L¶

phys_dim¶

bsz = 2¶

which = 'SA'¶

cyclic¶

_b¶

ham¶

TN_energy¶

energies = []¶

local_energies = []¶

total_energies = []¶

opts¶

_set_bond_dim_seq(bond_dims)[source]¶

_set_cutoff_seq(cutoffs)[source]¶

property energy¶

property state¶

_canonize_after_1site_update(direction, i)[source]¶: Compress a site having updated it. Also serves to move the orthogonality center along.

_eigs(A, B=None, v0=None)[source]¶: Find single eigenpair, using all the internal settings.

print_energy_info(Heff=None, loc_gs=None)[source]¶

print_norm_info(i=None)[source]¶

form_local_ops(i, dims, lix, uix)[source]¶: Construct the effective Hamiltonian, and if needed, norm.

post_check(i, Neff, loc_gs, loc_en, loc_gs_old)[source]¶: Perform some checks on the output of the local eigensolve.

_update_local_state_1site(i, direction, **compress_opts)[source]¶

Find the single site effective tensor groundstate of:

>->->->->-/|\-<-<-<-<-<-<-<-<          /|\       <-- uix
| | | | |  |  | | | | | | | |         / | \
H-H-H-H-H--H--H-H-H-H-H-H-H-H   =    L--H--R
| | | | | i|  | | | | | | | |         \i| /
>->->->->-\|/-<-<-<-<-<-<-<-<          \|/       <-- lix

And insert it back into the states k and b, and thus TN_energy.

_update_local_state_2site(i, direction, **compress_opts)[source]¶

Find the 2-site effective tensor groundstate of:

>->->->->-/| |\-<-<-<-<-<-<-<-<          /| |\
| | | | |  | |  | | | | | | | |         / | | \
H-H-H-H-H--H-H--H-H-H-H-H-H-H-H   =    L--H-H--R
| | | | |  i i+1| | | | | | | |         \ | | /
>->->->->-\| |/-<-<-<-<-<-<-<-<          \| |/
                                     i i+1

And insert it back into the states k and b, and thus TN_energy.

_update_local_state(i, **update_opts)[source]¶: Move envs to site i and dispatch to the correct local updater.

sweep(direction, canonize=True, verbosity=0, **update_opts)[source]¶

Perform a sweep of optimizations, either rightwards:

  optimize -->
    ...
>->-o-<-<-<-<-<-<-<-<-<-<-<-<-<
| | | | | | | | | | | | | | | |
H-H-H-H-H-H-H-H-H-H-H-H-H-H-H-H
| | | | | | | | | | | | | | | |
>->-o-<-<-<-<-<-<-<-<-<-<-<-<-<

or leftwards (direction=’L’):

                <-- optimize
                          ...
>->->->->->->->->->->->->-o-<-<
| | | | | | | | | | | | | | | |
H-H-H-H-H-H-H-H-H-H-H-H-H-H-H-H
| | | | | | | | | | | | | | | |
>->->->->->->->->->->->->-o-<-<

After the sweep the state is left or right canonized respectively.

Parameters:

direction ({'R', 'L'}) – Sweep from left to right (->) or right to left (<-) respectively.
canonize (bool, optional) – Canonize the state first, not needed if doing alternate sweeps.
verbosity ({0, 1, 2}, optional) – Show a progress bar for the sweep.
update_opts – Supplied to self._update_local_state.

sweep_right(canonize=True, verbosity=0, **update_opts)[source]¶

sweep_left(canonize=True, verbosity=0, **update_opts)[source]¶

_print_pre_sweep(i, direction, max_bond, cutoff, verbosity=0)[source]¶: Print this before each sweep.

_compute_post_sweep()[source]¶: Compute this after each sweep.

_print_post_sweep(converged, verbosity=0)[source]¶: Print this after each sweep.

_check_convergence(tol)[source]¶: By default check the absolute change in energy.

solve(tol=0.0001, bond_dims=None, cutoffs=None, sweep_sequence=None, max_sweeps=10, verbosity=0, suppress_warnings=True)[source]¶

Solve the system with a sequence of sweeps, up to a certain absolute tolerance in the energy or maximum number of sweeps.

Parameters:

tol (float, optional) – The absolute tolerance to converge energy to.
bond_dims (int or sequence of int) – Overide the initial/current bond_dim sequence.
cutoffs (float of sequence of float) – Overide the initial/current cutoff sequence.
sweep_sequence (str, optional) – String made of ‘L’ and ‘R’ defining the sweep sequence, e.g ‘RRL’. The sequence will be repeated until max_sweeps is reached.
max_sweeps (int, optional) – The maximum number of sweeps to perform.
verbosity ({0, 1, 2}, optional) – How much information to print about progress.
suppress_warnings (bool, optional) – Whether to suppress warnings about non-convergence, usually due to the intentional low accuracy of the inner eigensolve.

Returns:

converged – Whether the algorithm has converged to tol yet.

Return type:

bool

class quimb.tensor.tensor_dmrg.DMRG1(ham, which='SA', bond_dims=None, cutoffs=1e-08, p0=None)[source]¶

Bases: DMRG

Simple alias of one site DMRG.

class quimb.tensor.tensor_dmrg.DMRG2(ham, which='SA', bond_dims=None, cutoffs=1e-08, p0=None)[source]¶

Bases: DMRG

Simple alias of two site DMRG.

class quimb.tensor.tensor_dmrg.DMRGX(ham, p0, bond_dims, cutoffs=1e-08, bsz=1)[source]¶

Bases: DMRG

Class implmenting DMRG-X [1], whereby local effective energy eigenstates are chosen to maximise overlap with the previous step’s state, leading to convergence on an mid-spectrum eigenstate of the full hamiltonian, as long as it is perturbatively close to the original state.

[1] Khemani, V., Pollmann, F. & Sondhi, S. L. Obtaining Highly Excited Eigenstates of Many-Body Localized Hamiltonians by the Density Matrix Renormalization Group Approach. Phys. Rev. Lett. 116, 247204 (2016).

Parameters:

ham (MatrixProductOperator) – The hamiltonian in MPO form, should have ~area-law eigenstates.
p0 (MatrixProductState) – The initial MPS guess, e.g. a computation basis state.
bond_dims (int or sequence of int) – See DMRG.
cutoffs (float or sequence of float) – See DMRG.

k¶

The current, optimized state.

Type:: MatrixProductState

energies¶

The list of energies after each sweep.

Type:: list of float

TN_energy2¶

variances¶

_target_energy¶

opts¶

property variance¶

form_local_ops(i, dims, lix, uix)[source]¶: Construct the effective Hamiltonian, and if needed, norm.

_update_local_state_1site_dmrgx(i, direction, **compress_opts)[source]¶: Like _update_local_state, but re-insert all eigenvectors, then choose the one with best overlap with eff_ovlp.

_update_local_state(i, **update_opts)[source]¶: Move envs to site i and dispatch to the correct local updater.

sweep(direction, canonize=True, verbosity=0, **update_opts)[source]¶

Perform a sweep of the algorithm.

Parameters:

direction ({'R', 'L'}) – Sweep from left to right (->) or right to left (<-) respectively.
canonize (bool, optional) – Canonize the state first, not needed if doing alternate sweeps.
verbosity ({0, 1, 2}, optional) – Show a progress bar for the sweep.
update_opts – Supplied to self._update_local_state.

_compute_post_sweep()[source]¶: Compute this after each sweep.

_print_post_sweep(converged, verbosity=0)[source]¶: Print this after each sweep.

_check_convergence(tol)[source]¶: By default check the absolute change in energy.