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Support for single sc_ops for faster specific method in ssesolve and smesolve #408

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Feb 17, 2025
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Support for single sc_ops for faster specific method in ssesolve and smesolve #408

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8c41b87
[no ci] Support for single `sc_ops` for faster specific method
albertomercurio Feb 16, 2025
9b20aea
Make changelog and change default non-diagonal solver to `SRA2()`
albertomercurio Feb 16, 2025
7980f91
Fix Code Quality
albertomercurio Feb 16, 2025
e083c31
Add a note in the docstrings
albertomercurio Feb 17, 2025
4029a5b
Make the note more clear
albertomercurio Feb 17, 2025
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3 changes: 3 additions & 0 deletions CHANGELOG.md
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Expand Up @@ -7,6 +7,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0

## [Unreleased](https://github.com/qutip/QuantumToolbox.jl/tree/main)

- Support for single `AbstractQuantumObject` in `sc_ops` for faster specific method in `ssesolve` and `smesolve`. ([#408])

## [v0.27.0]
Release date: 2025-02-14

Expand Down Expand Up @@ -140,3 +142,4 @@ Release date: 2024-11-13
[#403]: https://github.com/qutip/QuantumToolbox.jl/issues/403
[#404]: https://github.com/qutip/QuantumToolbox.jl/issues/404
[#405]: https://github.com/qutip/QuantumToolbox.jl/issues/405
[#408]: https://github.com/qutip/QuantumToolbox.jl/issues/408
4 changes: 2 additions & 2 deletions src/QuantumToolbox.jl
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Expand Up @@ -40,7 +40,7 @@ import SciMLBase:
AbstractSciMLProblem,
AbstractODEIntegrator,
AbstractODESolution
import StochasticDiffEq: StochasticDiffEqAlgorithm, SRA1
import StochasticDiffEq: StochasticDiffEqAlgorithm, SRA2, SRIW1
import SciMLOperators:
SciMLOperators,
AbstractSciMLOperator,
Expand All @@ -56,7 +56,7 @@ import DiffEqBase: get_tstops
import DiffEqCallbacks: PeriodicCallback, PresetTimeCallback, TerminateSteadyState
import OrdinaryDiffEqCore: OrdinaryDiffEqAlgorithm
import OrdinaryDiffEqTsit5: Tsit5
import DiffEqNoiseProcess: RealWienerProcess!
import DiffEqNoiseProcess: RealWienerProcess!, RealWienerProcess

# other dependencies (in alphabetical order)
import ArrayInterface: allowed_getindex, allowed_setindex!
Expand Down
52 changes: 27 additions & 25 deletions src/time_evolution/smesolve.jl
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Expand Up @@ -15,7 +15,7 @@
ψ0::QuantumObject,
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -50,7 +50,7 @@
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``. It can be either a [`Ket`](@ref) or a [`Operator`](@ref).
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `c_ops`: List of collapse operators ``\{\hat{C}_i\}_i``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand All @@ -74,7 +74,7 @@
ψ0::QuantumObject{StateOpType},
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand All @@ -87,10 +87,12 @@

isnothing(sc_ops) &&
throw(ArgumentError("The list of stochastic collapse operators must be provided. Use mesolveProblem instead."))
sc_ops_list = _make_c_ops_list(sc_ops) # If it is an AbstractQuantumObject but we need to iterate
sc_ops_isa_Qobj = sc_ops isa AbstractQuantumObject # We can avoid using non-diagonal noise if sc_ops is just an AbstractQuantumObject

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tlist = _check_tlist(tlist, _FType(ψ0))

L_evo = _mesolve_make_L_QobjEvo(H, c_ops) + _mesolve_make_L_QobjEvo(nothing, sc_ops)
L_evo = _mesolve_make_L_QobjEvo(H, c_ops) + _mesolve_make_L_QobjEvo(nothing, sc_ops_list)

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check_dimensions(L_evo, ψ0)
dims = L_evo.dimensions

Expand All @@ -99,7 +101,7 @@

progr = ProgressBar(length(tlist), enable = getVal(progress_bar))

sc_ops_evo_data = Tuple(map(get_data ∘ QobjEvo, sc_ops))
sc_ops_evo_data = Tuple(map(get_data ∘ QobjEvo, sc_ops_list))

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K = get_data(L_evo)

Expand All @@ -116,7 +118,7 @@
kwargs2 = _merge_saveat(tlist, e_ops, DEFAULT_SDE_SOLVER_OPTIONS; kwargs...)
kwargs3 = _generate_stochastic_kwargs(
e_ops,
sc_ops,
sc_ops_list,
makeVal(progress_bar),
tlist,
makeVal(store_measurement),
Expand All @@ -125,14 +127,8 @@
)

tspan = (tlist[1], tlist[end])
noise = RealWienerProcess!(
tlist[1],
zeros(length(sc_ops)),
zeros(length(sc_ops)),
save_everystep = getVal(store_measurement),
rng = rng,
)
noise_rate_prototype = similar(ρ0, length(ρ0), length(sc_ops))
noise = _make_noise(tspan[1], sc_ops, makeVal(store_measurement), rng)
noise_rate_prototype = sc_ops_isa_Qobj ? nothing : similar(ρ0, length(ρ0), length(sc_ops_list))

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prob = SDEProblem{true}(
K,
D,
Expand All @@ -153,7 +149,7 @@
ψ0::QuantumObject,
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -192,7 +188,7 @@
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``. It can be either a [`Ket`](@ref) or a [`Operator`](@ref).
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `c_ops`: List of collapse operators ``\{\hat{C}_i\}_i``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand Down Expand Up @@ -220,7 +216,7 @@
ψ0::QuantumObject{StateOpType},
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand All @@ -239,7 +235,7 @@
ntraj,
tlist,
_stochastic_prob_func;
n_sc_ops = length(sc_ops),
sc_ops = sc_ops,
store_measurement = makeVal(store_measurement),
) : prob_func
_output_func =
Expand Down Expand Up @@ -276,8 +272,8 @@
ψ0::QuantumObject,
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
alg::StochasticDiffEqAlgorithm = SRA1(),
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
alg::Union{Nothing,StochasticDiffEqAlgorithm} = nothing,
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -316,8 +312,8 @@
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``. It can be either a [`Ket`](@ref) or a [`Operator`](@ref).
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `c_ops`: List of collapse operators ``\{\hat{C}_i\}_i``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `alg`: The algorithm to use for the stochastic differential equation. Default is `SRA1()`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `alg`: The algorithm to use for the stochastic differential equation. Default is `SRIW1()` if `sc_ops` is an [`AbstractQuantumObject`](@ref) (diagonal noise), and `SRA2()` otherwise (non-diagonal noise).
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand Down Expand Up @@ -345,8 +341,8 @@
ψ0::QuantumObject{StateOpType},
tlist::AbstractVector,
c_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
alg::StochasticDiffEqAlgorithm = SRA1(),
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
alg::Union{Nothing,StochasticDiffEqAlgorithm} = nothing,
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -376,12 +372,18 @@
kwargs...,
)

sc_ops_isa_Qobj = sc_ops isa AbstractQuantumObject # We can avoid using non-diagonal noise if sc_ops is just an AbstractQuantumObject

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if isnothing(alg)
alg = sc_ops_isa_Qobj ? SRIW1() : SRA2()

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end

return smesolve(ensemble_prob, alg, ntraj, ensemblealg)
end

function smesolve(
ens_prob::TimeEvolutionProblem,
alg::StochasticDiffEqAlgorithm = SRA1(),
alg::StochasticDiffEqAlgorithm = SRA2(),
ntraj::Int = 500,
ensemblealg::EnsembleAlgorithm = EnsembleThreads(),
)
Expand Down
52 changes: 27 additions & 25 deletions src/time_evolution/ssesolve.jl
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Expand Up @@ -17,7 +17,7 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -52,7 +52,7 @@
- `H`: Hamiltonian of the system ``\hat{H}``. It can be either a [`QuantumObject`](@ref), a [`QuantumObjectEvolution`](@ref), or a `Tuple` of operator-function pairs.
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``.
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand All @@ -75,7 +75,7 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand All @@ -88,10 +88,12 @@

sc_ops isa Nothing &&
throw(ArgumentError("The list of stochastic collapse operators must be provided. Use sesolveProblem instead."))
sc_ops_list = _make_c_ops_list(sc_ops) # If it is an AbstractQuantumObject but we need to iterate
sc_ops_isa_Qobj = sc_ops isa AbstractQuantumObject # We can avoid using non-diagonal noise if sc_ops is just an AbstractQuantumObject

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tlist = _check_tlist(tlist, _FType(ψ0))

H_eff_evo = _mcsolve_make_Heff_QobjEvo(H, sc_ops)
H_eff_evo = _mcsolve_make_Heff_QobjEvo(H, sc_ops_list)

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isoper(H_eff_evo) || throw(ArgumentError("The Hamiltonian must be an Operator."))
check_dimensions(H_eff_evo, ψ0)
dims = H_eff_evo.dimensions
Expand All @@ -100,7 +102,7 @@

progr = ProgressBar(length(tlist), enable = getVal(progress_bar))

sc_ops_evo_data = Tuple(map(get_data ∘ QobjEvo, sc_ops))
sc_ops_evo_data = Tuple(map(get_data ∘ QobjEvo, sc_ops_list))

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# Here the coefficients depend on the state, so this is a non-linear operator, which should be implemented with FunctionOperator instead. However, the nonlinearity is only on the coefficients, and it should be safe.
K_l = sum(
Expand All @@ -116,7 +118,7 @@
kwargs2 = _merge_saveat(tlist, e_ops, DEFAULT_SDE_SOLVER_OPTIONS; kwargs...)
kwargs3 = _generate_stochastic_kwargs(
e_ops,
sc_ops,
sc_ops_list,
makeVal(progress_bar),
tlist,
makeVal(store_measurement),
Expand All @@ -125,14 +127,8 @@
)

tspan = (tlist[1], tlist[end])
noise = RealWienerProcess!(
tlist[1],
zeros(length(sc_ops)),
zeros(length(sc_ops)),
save_everystep = getVal(store_measurement),
rng = rng,
)
noise_rate_prototype = similar(ψ0, length(ψ0), length(sc_ops))
noise = _make_noise(tspan[1], sc_ops, makeVal(store_measurement), rng)
noise_rate_prototype = sc_ops_isa_Qobj ? nothing : similar(ψ0, length(ψ0), length(sc_ops_list))

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prob = SDEProblem{true}(
K,
D,
Expand All @@ -152,7 +148,7 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -191,7 +187,7 @@
- `H`: Hamiltonian of the system ``\hat{H}``. It can be either a [`QuantumObject`](@ref), a [`QuantumObjectEvolution`](@ref), or a `Tuple` of operator-function pairs.
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``.
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand Down Expand Up @@ -219,7 +215,7 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand All @@ -238,7 +234,7 @@
ntraj,
tlist,
_stochastic_prob_func;
n_sc_ops = length(sc_ops),
sc_ops = sc_ops,
store_measurement = makeVal(store_measurement),
) : prob_func
_output_func =
Expand Down Expand Up @@ -273,8 +269,8 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
alg::StochasticDiffEqAlgorithm = SRA1(),
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
alg::Union{Nothing,StochasticDiffEqAlgorithm} = nothing,
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -316,8 +312,8 @@
- `H`: Hamiltonian of the system ``\hat{H}``. It can be either a [`QuantumObject`](@ref), a [`QuantumObjectEvolution`](@ref), or a `Tuple` of operator-function pairs.
- `ψ0`: Initial state of the system ``|\psi(0)\rangle``.
- `tlist`: List of times at which to save either the state or the expectation values of the system.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector` or a `Tuple`.
- `alg`: The algorithm to use for the stochastic differential equation. Default is `SRA1()`.
- `sc_ops`: List of stochastic collapse operators ``\{\hat{S}_n\}_n``. It can be either a `Vector`, a `Tuple` or a [`AbstractQuantumObject`](@ref). It is recommended to use the last case when only one operator is provided.
- `alg`: The algorithm to use for the stochastic differential equation. Default is `SRIW1()` if `sc_ops` is an [`AbstractQuantumObject`](@ref) (diagonal noise), and `SRA2()` otherwise (non-diagonal noise).
- `e_ops`: List of operators for which to calculate expectation values. It can be either a `Vector` or a `Tuple`.
- `params`: `NullParameters` of parameters to pass to the solver.
- `rng`: Random number generator for reproducibility.
Expand Down Expand Up @@ -345,8 +341,8 @@
H::Union{AbstractQuantumObject{OperatorQuantumObject},Tuple},
ψ0::QuantumObject{KetQuantumObject},
tlist::AbstractVector,
sc_ops::Union{Nothing,AbstractVector,Tuple} = nothing;
alg::StochasticDiffEqAlgorithm = SRA1(),
sc_ops::Union{Nothing,AbstractVector,Tuple,AbstractQuantumObject} = nothing;
alg::Union{Nothing,StochasticDiffEqAlgorithm} = nothing,
e_ops::Union{Nothing,AbstractVector,Tuple} = nothing,
params = NullParameters(),
rng::AbstractRNG = default_rng(),
Expand Down Expand Up @@ -375,12 +371,18 @@
kwargs...,
)

sc_ops_isa_Qobj = sc_ops isa AbstractQuantumObject # We can avoid using non-diagonal noise if sc_ops is just an AbstractQuantumObject

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if isnothing(alg)
alg = sc_ops_isa_Qobj ? SRIW1() : SRA2()

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end

return ssesolve(ens_prob, alg, ntraj, ensemblealg)
end

function ssesolve(
ens_prob::TimeEvolutionProblem,
alg::StochasticDiffEqAlgorithm = SRA1(),
alg::StochasticDiffEqAlgorithm = SRA2(),
ntraj::Int = 500,
ensemblealg::EnsembleAlgorithm = EnsembleThreads(),
)
Expand Down
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