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Adaptive step-size Commutator free exponential solver (ACFET) #588

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@kaihsin kaihsin commented Jul 10, 2023

This PR is branching from PR #585, which includes adaptive step-size generalization of the existing CFET solver.

Kai-Hsin Wu and others added 30 commits June 15, 2023 16:43
1) moving Hamiltonian/StepHamiltonian and ThreadedMatrix to Operator module
2) moving all linalg associate to 1) are moving to Operator module.
1) move linalg related to elementary structs (PermMatrix,Diagonal,SparseMatrixCSR/CSC) to Lowlevel/backends/
2) rename module Operator -> Lowlevel to avoid confusion with Yao
3) rename test/linalg.jl to test/linalg_mul.jl
4) [FIX] mul! testing case for ParallelMergeCSR is not properly dispatched.
5) add trace() and bind to LinearAlgebra.tr() for PermMatrix,Diagonal and SparseMatrixCSR/CSC
6) add test/linalg_tr.jl for testing tr()
1)  add precision_type() for Hamiltonian/StepHamiltonian
2) add highest_type() for Hamiltonian/StepHamiltonian
2) move linalg associate to Hamiltonian etc to linalg.jl
1) Remove StepHamiltonian
2) Rename ValHamiltonian -> SumOfLinop
1) Add expm_multiply, tested but this version consume more memory
2) Add get_optimal_sm() to get the optimal s and m_star.
   currently the one norm of power p is get exactly, not estimate (need to implement one norm est !
1) add onenormest() using block algorithm for 1 norm estimation
1) swap out the onenorm in expm_multiply using onenormest()
2) reinstat all the testing cases.
3) checking testing of expm_multiply
…nian

2) change test, linalg, size, types related to accomadate change.
… of AbstractMatrix.

2) modify parts to accompany change of SumOfLinop
1) additional field types for SumOfLinop Hermitian, SkewHermitian and RegularLinop
2) adjoint, Base.:*, add_I for lazy evaluate in the case input is Hermitian/SkewHermitian
1) this is dirty version. need to be clean
2) fix the bug in calculating h in onenormest
1) fix bug in precision_type/highest_type/eltype for SumOfLinop by considering also dtype of fvals
2) add testing case for expm_multiply backend
3) add expmv_backend as additional options, and update docstring.
4) fix bug in get_optimal_sm when t is negative.
1) add FowardDiff in BloqadeExpr
2) add derivative(H,t) for calculating Hamiltonian H'(t)
3) add testing case
* Refactor Expr
1) moving Hamiltonian/StepHamiltonian and ThreadedMatrix to Operator module
2) moving all linalg associate to 1) are moving to Operator module.

* BloqadeExpr Change
1) move linalg related to elementary structs (PermMatrix,Diagonal,SparseMatrixCSR/CSC) to Lowlevel/backends/
2) rename module Operator -> Lowlevel to avoid confusion with Yao
3) rename test/linalg.jl to test/linalg_mul.jl
4) [FIX] mul! testing case for ParallelMergeCSR is not properly dispatched.
5) add trace() and bind to LinearAlgebra.tr() for PermMatrix,Diagonal and SparseMatrixCSR/CSC
6) add test/linalg_tr.jl for testing tr()

* Get types info on Hamiltonain
1)  add precision_type() for Hamiltonian/StepHamiltonian
2) add highest_type() for Hamiltonian/StepHamiltonian

* add overload for SparseMatrixCSR, and remove redundant print

* Move ValHamiltionain from BloqadeKrylov to BloqadeExpr.Lowlevel

* 1) Add more testing cases for ValHamiltonian
2) move linalg associate to Hamiltonian etc to linalg.jl

* fix ASCII for '-' causing error on julia-v1.6

* Simplify Lowlevel data structure
1) Remove StepHamiltonian
2) Rename ValHamiltonian -> SumOfLinop

* 1) remove BloqadeKrylov from toml
2) remove redundant comments

---------

Co-authored-by: Kai-Hsin Wu <[email protected]>
Co-authored-by: Kai-Hsin Wu <[email protected]>
Kai-Hsin Wu and others added 3 commits July 7, 2023 12:06
1) move all derivative of Hamiltonian under ForwardDiff
2) finalize ACFETEvolution interface, which under abstract type ADEvolution (ADaptive Evolution)
3) finish and tested Adaptive step size CFET for CFET2_1
1) fix bug in calculating local error (missing t/(p+1) before)
2) add CFET4_2 options, and the corresponding test
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codecov bot commented Jul 10, 2023

Codecov Report

Attention: 1 lines in your changes are missing coverage. Please review.

Comparison is base (dbaccc6) 77.30% compared to head (0332376) 77.28%.

Files Patch % Lines
lib/BloqadeExpr/src/Lowlevel/types.jl 0.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #588      +/-   ##
==========================================
- Coverage   77.30%   77.28%   -0.02%     
==========================================
  Files          93       93              
  Lines        4609     4610       +1     
==========================================
  Hits         3563     3563              
- Misses       1046     1047       +1     

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@weinbe58 weinbe58 marked this pull request as ready for review September 8, 2023 20:00
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2 participants