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[WIP] Introduce partitioned_contract #97

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@LinjianMa LinjianMa commented Jul 6, 2023

This PR is mainly used for discussion. We need to break it into pieces to merge.

APIs:

Given a partition par and its partial contraction tree contraction_tree, the function below performs the approximate contraction based on given parameters:

  • ansatz: can be mps or comb
  • approx_itensornetwork_alg: can be density_matrix or ttn_svd
  • linear_ordering_alg: can be top_down or bottom_up. This denotes the heuristic used to choose the MPS site ordering.
function partitioned_contract(
  par::DataGraph,
  contraction_tree::NamedDiGraph;
  ansatz="mps",
  approx_itensornetwork_alg="density_matrix",
  cutoff=1e-15,
  maxdim=10000,
  swap_size=1,
  contraction_sequence_alg,
  contraction_sequence_kwargs,
  linear_ordering_alg,
)

Instead of passing a partition and a contraction tree, one can also passing a contraction_sequence, which is a nested vector of ITensors. par and contraction_tree will then be produced internally.

function partitioned_contract(contraction_sequence::Vector; kwargs...)

One can also choose to let the package generate the partition and the contraction tree automatically. Given tn, the function below will generate a par and contraction_tree based on the recursive bisection algorithm, with each partition having approximately nvertices_per_partition number of vertices.

function contract(
  alg::Algorithm"partitioned_contract",
  tn::AbstractITensorNetwork;
  nvertices_per_partition::Integer=2,
  backend::String="KaHyPar",
  kwargs...,
)

Organization of the PR

  • examples/partitioned_contract contains codes to benchmark the algorithm. The implementations contain experiments on top of 3D grids, random regular graphs, and random quantum circuits.
  • src/contract.jl includes the new API for contract.
  • src/mincut.jl includes a new algorithm/heuristic for generating the binary tree structure and path graph structure. In particular, the existing algorithm is a bottom-up greedy algorithm, and another greedy top-down algorithm based on recursive bisection is added. The top-down algorithm is standard since recursive bisection is a common algorithm. For now it is unclear which one is better.
  • src/partitioned_contract/partitioned_contract.jl includes the implementations of partitioned_contract

LinjianMa added 30 commits June 21, 2023 22:54
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codecov-commenter commented Jul 19, 2023

Codecov Report

Merging #97 (7e9ce10) into main (d1e9ba6) will decrease coverage by 10.89%.
The diff coverage is 13.39%.

❗ Your organization is not using the GitHub App Integration. As a result you may experience degraded service beginning May 15th. Please install the Github App Integration for your organization. Read more.

@@             Coverage Diff             @@
##             main      #97       +/-   ##
===========================================
- Coverage   79.64%   68.75%   -10.89%     
===========================================
  Files          64       69        +5     
  Lines        3507     4276      +769     
===========================================
+ Hits         2793     2940      +147     
- Misses        714     1336      +622     
Impacted Files Coverage Δ
src/ITensorNetworks.jl 77.77% <ø> (ø)
src/approx_itensornetwork/ttn_svd.jl 100.00% <ø> (ø)
src/approx_itensornetwork/utils.jl 94.11% <ø> (ø)
src/contract.jl 36.84% <0.00%> (-63.16%) ⬇️
src/partitioned_contract/adjacency_tree.jl 0.00% <0.00%> (ø)
src/partitioned_contract/constrained_ordering.jl 0.00% <0.00%> (ø)
src/partitioned_contract/partitioned_contract.jl 0.00% <0.00%> (ø)
src/partitioned_contract/utils.jl 0.00% <0.00%> (ø)
src/mincut.jl 82.52% <62.79%> (-11.93%) ⬇️
src/approx_itensornetwork/density_matrix.jl 91.24% <65.71%> (-8.76%) ⬇️
... and 2 more

... and 9 files with indirect coverage changes

@@ -335,6 +328,97 @@ function _rem_vertex!(
return U
end

function _update_cache_w_low_rank_projector!(
::Algorithm"direct_eigen",
alg_graph::_DensityMartrixAlgGraph,
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Just noticed this should be _DensityMatrixAlgGraph, not _DensityMartrixAlgGraph. Also I think it's best to remove the underscore.

@@ -22,6 +22,8 @@ function approx_itensornetwork(
partition_wo_deltas = _contract_deltas_ignore_leaf_partitions(
binary_tree_partition; root=root
)
density_matrix_alg =
alg isa Algorithm"density_matrix_direct_eigen" ? "direct_eigen" : "qr_svd"
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It seems like the main use for Algorithm"density_matrix_direct_eigen" is this selection of the density_matrix_alg. Maybe simpler to just make density_matrix_alg a keyword argument directly and remove Algorithm"density_matrix_direct_eigen".

@@ -5,7 +5,7 @@ with the same binary tree structure. `root` is the root vertex of the
pre-order depth-first-search traversal used to perform the truncations.
"""
function approx_itensornetwork(
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I forget why this was called approx_itensornetwork. Can this just be contract? It seems like it is just called from contract anyway.

kwargs...,
)
sequence = _partitioned_contraction_sequence(
tn; nvertices_per_partition=nvertices_per_partition, backend=backend
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Suggested change
tn; nvertices_per_partition=nvertices_per_partition, backend=backend
tn; nvertices_per_partition, backend

In the more recent versions of Julia, you don't have to repeat the argument if it has the same name as the keyword in a keyword argument.

@mtfishman
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Sorry for the very long delay in reviewing this, finally finding some time to take a look.

In terms of the API, instead of the partitioned_contract you propose above, what if it was the following:

function contract(
  alg::Algorithm"partitioned_contract",
  tn::AbstractITensorNetwork;
  sequence,
  backend::String="KaHyPar",
  kwargs...,
)

sequence would be a partial contraction sequence, by which I mean if the vertices are 1:10, it could be something like:

[[[1, 2, 3], [4, 5, 6]], [7, 8, 9, 10]]

This would complement the version that accepts nvertices_per_partition::Integer, which would generate a sequence with that format.

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3 participants