introduce groundstate

Author: ytdHuang

CHANGELOG.md

@@ -10,6 +10,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - Support for single `AbstractQuantumObject` in `sc_ops` for faster specific method in `ssesolve` and `smesolve`. ([#408])
 - Change save callbacks from `PresetTimeCallback` to `FunctionCallingCallback`. ([#410])
 - Align `eigenstates` and `eigenenergies` to QuTiP. ([#411])
+- Introduce `groundstate`. ([#412])
 
 ## [v0.27.0]
 Release date: 2025-02-14
@@ -147,3 +148,4 @@ Release date: 2024-11-13
 [#408]: https://github.com/qutip/QuantumToolbox.jl/issues/408
 [#410]: https://github.com/qutip/QuantumToolbox.jl/issues/410
 [#411]: https://github.com/qutip/QuantumToolbox.jl/issues/411
+[#412]: https://github.com/qutip/QuantumToolbox.jl/issues/412

docs/src/resources/api.md

@@ -90,6 +90,7 @@ partial_transpose
 EigsolveResult
 eigenenergies
 eigenstates
+groundstate
 LinearAlgebra.eigen
 LinearAlgebra.eigvals
 eigsolve

docs/src/users_guide/QuantumObject/QuantumObject_functions.md

@@ -43,6 +43,7 @@ Here is a table that summarizes all the supported linear algebra functions and a
 
 - [`eigenenergies`](@ref): return eigenenergies (eigenvalues)
 - [`eigenstates`](@ref): return [`EigsolveResult`](@ref) (contains eigenvalues and eigenvectors)
+- [`groundstate`](@ref): return the ground state eigenvalue and corresponding eigenvector
 - [`eigvals`](@ref): return eigenvalues
 - [`eigen`](@ref): using dense eigen solver and return [`EigsolveResult`](@ref) (contains eigenvalues and eigenvectors)
 - [`eigsolve`](@ref): using sparse eigen solver and return [`EigsolveResult`](@ref) (contains eigenvalues and eigenvectors)

src/qobj/eigsolve.jl

@@ -3,7 +3,7 @@ Eigen solvers and results for QuantumObject
 =#
 
 export EigsolveResult
-export eigenenergies, eigenstates, eigsolve
+export eigenenergies, eigenstates, groundstate, eigsolve
 export eigsolve_al
 
 @doc raw"""
@@ -87,13 +87,19 @@ function Base.getproperty(res::EigsolveResult, key::Symbol)
     end
 end
 
+_eigenvector_type(::Type{OperatorQuantumObject}) = Ket
+_eigenvector_type(::Type{SuperOperatorQuantumObject}) = OperatorKet
+
 Base.iterate(res::EigsolveResult) = (res.values, Val(:vector_list))
 Base.iterate(res::EigsolveResult{T1,T2,Nothing}, ::Val{:vector_list}) where {T1,T2} =
     ([res.vectors[:, k] for k in 1:length(res.values)], Val(:vectors))
-Base.iterate(res::EigsolveResult{T1,T2,OperatorQuantumObject}, ::Val{:vector_list}) where {T1,T2} =
-    ([QuantumObject(res.vectors[:, k], Ket, res.dimensions) for k in 1:length(res.values)], Val(:vectors))
-Base.iterate(res::EigsolveResult{T1,T2,SuperOperatorQuantumObject}, ::Val{:vector_list}) where {T1,T2} =
-    ([QuantumObject(res.vectors[:, k], OperatorKet, res.dimensions) for k in 1:length(res.values)], Val(:vectors))
+Base.iterate(
+    res::EigsolveResult{T1,T2,OpType},
+    ::Val{:vector_list},
+) where {T1,T2,OpType<:Union{OperatorQuantumObject,SuperOperatorQuantumObject}} = (
+    [QuantumObject(res.vectors[:, k], _eigenvector_type(OpType), res.dimensions) for k in 1:length(res.values)],
+    Val(:vectors),
+)
 Base.iterate(res::EigsolveResult, ::Val{:vectors}) = (res.vectors, Val(:done))
 Base.iterate(res::EigsolveResult, ::Val{:done}) = nothing
 
@@ -538,3 +544,40 @@ function eigenstates(
         return eigsolve(A; kwargs...)
     end
 end
+
+@doc raw"""
+    groundstate(A::QuantumObject; safe::Bool=true, tol::Real=1e-8, kwargs...)
+
+Calculate the ground state eigenvalue and corresponding eigenvector
+
+# Arguments
+- `A::QuantumObject`: the [`QuantumObject`](@ref) to solve ground state eigenvalue and eigenvector
+- `safe::Bool`: if `true` check for degenerate ground state. Default to `true`.
+- `tol::Real`: the tolerance. Default is `1e-8`.
+- `kwargs`: Additional keyword arguments passed to the solver. If `sparse=true`, the keyword arguments are passed to [`eigsolve`](@ref), otherwise to [`eigen`](@ref).
+
+# Returns
+- `eigval::Number`: the ground state eigenvalue
+- `eigvec::QuantumObject`: the ground state eigenvector
+"""
+function groundstate(
+    A::QuantumObject{OpType};
+    safe::Bool = true,
+    tol::Real = 1e-8,
+    kwargs...,
+) where {OpType<:Union{OperatorQuantumObject,SuperOperatorQuantumObject}}
+    # TODO: support for sparse eigsolve
+    #if !sparse
+    result = eigen(A; kwargs...)
+    #else
+    #    eigvals = safe ? 2 : 1  # number of eigenvalues to calculate
+    #    result = eigsolve(A; eigvals = eigvals, tol = tol, kwargs...)
+    #end
+
+    # the tolarence should be less strick than the `tol` for the eigensolver
+    # so it's numerical errors are not seen as degenerate states.
+    evals = result.values
+    safe && (abs(evals[2] - evals[1]) < (10 * tol)) && @warn "Ground state may be degenerate."
+
+    return evals[1], QuantumObject(result.vectors[:, 1], _eigenvector_type(OpType), result.dimensions)
+end

test/core-test/eigenvalues_and_operators.jl

@@ -92,6 +92,14 @@
     @test isapprox(vec2mat(vecs[1]).data * exp(-1im * angle(vecs[1][1])), vec2mat(vecs2[1]).data, atol = 1e-7)
     @test isapprox(vec2mat(vecs[1]).data * exp(-1im * angle(vecs[1][1])), vec2mat(state3[1]).data, atol = 1e-5)
 
+    # ground state # TODO: support for sparse eigsolve
+    U = rand_unitary(5)
+    M = U * Qobj(diagm([1, 1, 2, 3, 4])) * U'  # degenerate ground state
+    gval_1, gvec_1 = @test_logs (:warn,) groundstate(M)
+    # gval_2, gvec_2 = @test_logs (:warn,) groundstate(M, sparse = true)
+    @test gval_1 ≈ 1# ≈ gval_2
+    #@test isapprox(gvec_1, gvec_2, atol = 1e-6)
+
     @testset "Type Inference (eigen)" begin
         N = 5
         a = kron(destroy(N), qeye(N))
@@ -112,6 +120,8 @@
         @inferred eigenstates(H, sparse = false)
         @inferred eigenstates(H, sparse = true)
         @inferred eigenstates(L, sparse = true)
+        @inferred groundstate(H)#, sparse = false) # TODO: support for sparse eigsolve
+        #@inferred groundstate(H, sparse = true)  
         @inferred eigsolve_al(L, 1 \ (40 * κ), eigvals = 10)
     end
 end