core peeloff (#173)

* moving otimes to isomorphisms * manifest update * integrator signature refactor -- removes sys dependence * problem template fixes (tests passing) * moved isomorphisms to core * big rip * big rip 2: quantum objects * traj init for unitary * state sampling problem template * refactored system to integrator interface * density operators * traj init for unitary * state sampling problem template * bug fix: a_guess option * bug fix: free phase obj * phase rollout fidelity * free phase initialization * Tests for free phases * free phase incr * bug fix: mintime and robprob fidelity subspace * bug fix: drop drive_sigma arg, fix subspace nothing * problem template fixes (tests passing) * big rip * refactored system to integrator interface * density operators * rebase fixes (broken) * rebase complete (fixes free phase loss) * docs uopdates * renaming OperatorType -> AbstractPiccoloOperator * adding quantum system templates + cleaning * update system type from AbstractQuantumSystem to OpenQuantumSystem and clean up function parameters * refactor trajectory initialization to use density_to_iso_vec for initial and goal states * refactor rollout_fidelity to have sys as arg * passing tests (except for direct sum prob) * refactor add_suffix and remove_suffix functions to eliminate sys parameter and streamline integrator modifications * bump version to 0.5.0 and update dependencies for compatibility * remove operatortype * add back in zero initial and final * revert removing list of state names * refactor callbacks and problem templates to use rollout fidelity and system return values * update Project.toml dependencies and refactor drive length references in quantum state sampling problems * fix callbacks except for new tol * remove fidelity test from callback test suite - see PR comment #173 * add qualified path for get_datavec --------- Co-authored-by: Andy Goldschmidt <agoldschmidt11@gmail.com> Co-authored-by: Jack Champagne <jackchampagne.r@gmail.com> Co-authored-by: Jack Champagne <jchampag@andrew.cmu.edu>
kestrelquantum · Jan 15, 2025 · cafef27 · cafef27 · jack-champagne · Jan 15, 2025
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diff --git a/Project.toml b/Project.toml
@@ -1,7 +1,7 @@
 name = "QuantumCollocation"
 uuid = "0dc23a59-5ffb-49af-b6bd-932a8ae77adf"
 authors = ["Aaron Trowbridge <aaron.j.trowbridge@gmail.com> and contributors"]
-version = "0.3.2"
+version = "0.5.0"
 
 [deps]
 BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"
@@ -11,13 +11,15 @@ Einsum = "b7d42ee7-0b51-5a75-98ca-779d3107e4c0"
 ExponentialAction = "e24c0720-ea99-47e8-929e-571b494574d3"
 ForwardDiff = "f6369f11-7733-5829-9624-2563aa707210"
 Interpolations = "a98d9a8b-a2ab-59e6-89dd-64a1c18fca59"
-Ipopt = "b6b21f68-93f8-5de0-b562-5493be1d77c9"
 JLD2 = "033835bb-8acc-5ee8-8aae-3f567f8a3819"
 Libdl = "8f399da3-3557-5675-b5ff-fb832c97cbdb"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 MathOptInterface = "b8f27783-ece8-5eb3-8dc8-9495eed66fee"
 NamedTrajectories = "538bc3a1-5ab9-4fc3-b776-35ca1e893e08"
+PiccoloQuantumObjects = "5a402ddf-f93c-42eb-975e-5582dcda653d"
+PkgTemplates = "14b8a8f1-9102-5b29-a752-f990bacb7fe1"
 ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
+QuantumCollocationCore = "2b384925-53cb-4042-a8d2-6faa627467e1"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
 SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
@@ -27,24 +29,29 @@ TestItems = "1c621080-faea-4a02-84b6-bbd5e436b8fe"
 TrajectoryIndexingUtils = "6dad8b7f-dd9a-4c28-9b70-85b9a079bfc8"
 
 [compat]
-BenchmarkTools = "1.5"
+BenchmarkTools = "1.6"
 CairoMakie = "0.12"
 Distributions = "0.25"
 Einsum = "0.4"
 ExponentialAction = "0.2"
 ForwardDiff = "0.10"
 Interpolations = "0.15"
-Ipopt = "1.6"
 JLD2 = "0.5"
-MathOptInterface = "1.31"
-NamedTrajectories = "0.2.4"
+LinearAlgebra = "1.10, 1.11"
+MathOptInterface = "1.35"
+NamedTrajectories = "0.2"
+PiccoloQuantumObjects = "0.1"
+PkgTemplates = "0.7"
 ProgressMeter = "1.10"
+QuantumCollocationCore = "0.1"
+Random = "1.10, 1.11"
 Reexport = "1.2"
-Symbolics = "6.14"
+SparseArrays = "1.10, 1.11"
+Symbolics = "6.22"
 TestItemRunner = "1.0"
 TestItems = "1.0"
 TrajectoryIndexingUtils = "0.1"
-julia = "1.10"
+julia = "1.10, 1.11"
 
 [extras]
 Test = "8dfed614-e22c-5e08-85e1-65c5234f0b40"

diff --git a/docs/Project.toml b/docs/Project.toml
@@ -4,6 +4,7 @@ Literate = "98b081ad-f1c9-55d3-8b20-4c87d4299306"
 LiveServer = "16fef848-5104-11e9-1b77-fb7a48bbb589"
 NamedTrajectories = "538bc3a1-5ab9-4fc3-b776-35ca1e893e08"
 QuantumCollocation = "0dc23a59-5ffb-49af-b6bd-932a8ae77adf"
+QuantumCollocationCore = "2b384925-53cb-4042-a8d2-6faa627467e1"
 Revise = "295af30f-e4ad-537b-8983-00126c2a3abe"
 
 [compat]

diff --git a/docs/literate/examples/multilevel_transmon.jl b/docs/literate/examples/multilevel_transmon.jl
@@ -71,7 +71,7 @@ solve!(prob; max_iter=50)
 
 # Let's look at the fidelity in the subspace
 
-println("Fidelity: ", unitary_fidelity(prob; subspace=op.subspace_indices))
+println("Fidelity: ", unitary_rollout_fidelity(prob; subspace=op.subspace_indices))
 
 # and plot the result using the `plot_unitary_populations` function.
 
@@ -96,7 +96,7 @@ solve!(prob_leakage; max_iter=50)
 
 # Let's look at the fidelity in the subspace
 
-println("Fidelity: ", unitary_fidelity(prob_leakage; subspace=op.subspace_indices))
+println("Fidelity: ", unitary_rollout_fidelity(prob_leakage; subspace=op.subspace_indices))
 
 # and plot the result using the `plot_unitary_populations` function.
 

diff --git a/docs/literate/examples/two_qubit_gates.jl b/docs/literate/examples/two_qubit_gates.jl
@@ -111,7 +111,7 @@ prob = UnitarySmoothPulseProblem(
 solve!(prob; max_iter=100)
 
 ## Let's take a look at the final fidelity
-unitary_fidelity(prob)
+unitary_rollout_fidelity(prob)
 
 # Looks good!
 
@@ -124,7 +124,7 @@ min_time_prob = UnitaryMinimumTimeProblem(prob; final_fidelity=.99)
 
 solve!(min_time_prob; max_iter=300)
 
-unitary_fidelity(min_time_prob)
+unitary_rollout_fidelity(min_time_prob)
 
 # And let's plot this solution
 plot_unitary_populations(min_time_prob)
@@ -176,7 +176,7 @@ prob = UnitarySmoothPulseProblem(
 solve!(prob; max_iter=1_000)
 
 ## Let's take a look at the final fidelity
-unitary_fidelity(prob)
+unitary_rollout_fidelity(prob)
 
 # Again, looks good!
 
@@ -190,7 +190,7 @@ min_time_prob = UnitaryMinimumTimeProblem(prob; final_fidelity=.999)
 
 solve!(min_time_prob; max_iter=300)
 
-unitary_fidelity(min_time_prob)
+unitary_rollout_fidelity(min_time_prob)
 
 # And let's plot this solution
 

diff --git a/docs/literate/quickstart.jl b/docs/literate/quickstart.jl
@@ -56,7 +56,7 @@ solve!(prob; max_iter=30)
 
 # The above output comes from the Ipopt.jl solver. To see the final fidelity we can use the `unitary_fidelity` function exported by QuantumCollocation.jl.
 
-println("Final fidelity: ", unitary_fidelity(prob))
+println("Final fidelity: ", unitary_rollout_fidelity(prob))
 
 # We can also easily plot the solutions using the `plot` function exported by NamedTrajectories.jl.
 
@@ -86,7 +86,7 @@ solve!(prob_min_time; max_iter=30)
 
 # We can see that the final fidelity is indeed greater than the minimum fidelity we set.
 
-println("Final fidelity:    ", unitary_fidelity(prob_min_time))
+println("Final fidelity:    ", unitary_rollout_fidelity(prob_min_time))
 
 # and that the duration of the pulse has decreased.
 

diff --git a/docs/make.jl b/docs/make.jl
@@ -6,8 +6,6 @@ push!(LOAD_PATH, joinpath(@__DIR__, "..", "src"))
 
 # DocMeta.setdocmeta!(QuantumCollocation, :DocTestSetup, :(using QuantumCollocation); recursive=true)
 
-println("")
-
 pages = [
     "Home" => "index.md",
     "Quickstart Guide" => "generated/quickstart.md",

diff --git a/docs/src/generated/examples/multilevel_transmon.md b/docs/src/generated/examples/multilevel_transmon.md
@@ -83,7 +83,7 @@ solve!(prob; max_iter=50)
 Let's look at the fidelity in the subspace
 
 ````@example multilevel_transmon
-println("Fidelity: ", unitary_fidelity(prob; subspace=op.subspace_indices))
+println("Fidelity: ", unitary_rollout_fidelity(prob; subspace=op.subspace_indices))
 ````
 
 and plot the result using the `plot_unitary_populations` function.
@@ -114,7 +114,7 @@ solve!(prob_leakage; max_iter=50)
 Let's look at the fidelity in the subspace
 
 ````@example multilevel_transmon
-println("Fidelity: ", unitary_fidelity(prob_leakage; subspace=op.subspace_indices))
+println("Fidelity: ", unitary_rollout_fidelity(prob_leakage; subspace=op.subspace_indices))
 ````
 
 and plot the result using the `plot_unitary_populations` function.

diff --git a/docs/src/generated/examples/two_qubit_gates.md b/docs/src/generated/examples/two_qubit_gates.md
@@ -120,7 +120,7 @@ prob = UnitarySmoothPulseProblem(
 solve!(prob; max_iter=100)
 
 # Let's take a look at the final fidelity
-unitary_fidelity(prob)
+unitary_rollout_fidelity(prob)
 ````
 
 Looks good!
@@ -138,7 +138,7 @@ min_time_prob = UnitaryMinimumTimeProblem(prob; final_fidelity=.99)
 
 solve!(min_time_prob; max_iter=300)
 
-unitary_fidelity(min_time_prob)
+unitary_rollout_fidelity(min_time_prob)
 ````
 
 And let's plot this solution
@@ -194,7 +194,7 @@ prob = UnitarySmoothPulseProblem(
 solve!(prob; max_iter=1_000)
 
 # Let's take a look at the final fidelity
-unitary_fidelity(prob)
+unitary_rollout_fidelity(prob)
 ````
 
 Again, looks good!
@@ -212,7 +212,7 @@ min_time_prob = UnitaryMinimumTimeProblem(prob; final_fidelity=.999)
 
 solve!(min_time_prob; max_iter=300)
 
-unitary_fidelity(min_time_prob)
+unitary_rollout_fidelity(min_time_prob)
 ````
 
 And let's plot this solution

diff --git a/docs/src/generated/quickstart.md b/docs/src/generated/quickstart.md
@@ -63,7 +63,7 @@ solve!(prob; max_iter=30)
 The above output comes from the Ipopt.jl solver. To see the final fidelity we can use the `unitary_fidelity` function exported by QuantumCollocation.jl.
 
 ````@example quickstart
-println("Final fidelity: ", unitary_fidelity(prob))
+println("Final fidelity: ", unitary_rollout_fidelity(prob))
 ````
 
 We can also easily plot the solutions using the `plot` function exported by NamedTrajectories.jl.
@@ -99,7 +99,7 @@ solve!(prob_min_time; max_iter=30)
 We can see that the final fidelity is indeed greater than the minimum fidelity we set.
 
 ````@example quickstart
-println("Final fidelity:    ", unitary_fidelity(prob_min_time))
+println("Final fidelity:    ", unitary_rollout_fidelity(prob_min_time))
 ````
 
 and that the duration of the pulse has decreased.

diff --git a/docs/src/lib.md b/docs/src/lib.md
@@ -10,41 +10,6 @@ Modules = [QuantumCollocation.ProblemTemplates]
 Modules = [QuantumCollocation.DirectSums]
 ```
 
-## Quantum Object Utils
-```@autodocs
-Modules = [QuantumCollocation.QuantumObjectUtils]
-```
-
-## Quantum Systems 
-```@autodocs
-Modules = [QuantumCollocation.QuantumSystems]
-```
-
-## Integrators
-```@autodocs
-Modules = [QuantumCollocation.Integrators]
-``` 
-
-## Objectives
-```@autodocs
-Modules = [QuantumCollocation.Objectives]
-```
-
-## Losses
-```@autodocs
-Modules = [QuantumCollocation.Losses]
-```
-
-## Embedded Operators
-```@autodocs
-Modules = [QuantumCollocation.EmbeddedOperators]
-```
-
-## Isomorphisms
-```@autodocs
-Modules = [QuantumCollocation.Isomorphisms]
-```
-
 ## Options
 ```@autodocs
 Modules = [QuantumCollocation.Options]
@@ -70,11 +35,6 @@ Modules = [QuantumCollocation.Rollouts]
 Modules = [QuantumCollocation.SaveLoadUtils]
 ```
 
-## Structure Utils
-```@autodocs
-Modules = [QuantumCollocation.StructureUtils]
-```
-
 ## Trajectory Initialization
 ```@autodocs
 Modules = [QuantumCollocation.TrajectoryInitialization]

diff --git a/src/QuantumCollocation.jl b/src/QuantumCollocation.jl
@@ -2,51 +2,8 @@ module QuantumCollocation
 
 using Reexport
 
-
-include("options.jl")
-@reexport using .Options
-
-include("isomorphisms.jl")
-@reexport using .Isomorphisms
-
-include("quantum_object_utils.jl")
-@reexport using .QuantumObjectUtils
-
-include("structure_utils.jl")
-@reexport using .StructureUtils
-
-include("quantum_systems.jl")
-@reexport using .QuantumSystems
-
-include("quantum_system_templates/_quantum_system_templates.jl")
-@reexport using .QuantumSystemTemplates
-
-include("embedded_operators.jl")
-@reexport using .EmbeddedOperators
-
-include("quantum_system_utils.jl")
-@reexport using .QuantumSystemUtils
-
-include("losses/_losses.jl")
-@reexport using .Losses
-
-include("constraints/_constraints.jl")
-@reexport using .Constraints
-
-include("objectives/_objectives.jl")
-@reexport using .Objectives
-
-include("integrators/_integrators.jl")
-@reexport using .Integrators
-
-include("dynamics.jl")
-@reexport using .Dynamics
-
-include("evaluators.jl")
-@reexport using .Evaluators
-
-include("problems.jl")
-@reexport using .Problems
+@reexport using QuantumCollocationCore
+@reexport using PiccoloQuantumObjects
 
 include("direct_sums.jl")
 @reexport using .DirectSums
@@ -63,17 +20,10 @@ include("trajectory_interpolations.jl")
 include("problem_templates/_problem_templates.jl")
 @reexport using .ProblemTemplates
 
-include("save_load_utils.jl")
-@reexport using .SaveLoadUtils
-
-include("problem_solvers.jl")
-@reexport using .ProblemSolvers
-
-include("plotting.jl")
-@reexport using .Plotting
+include("quantum_system_templates/_quantum_system_templates.jl")
+@reexport using .QuantumSystemTemplates
 
 include("callbacks.jl")
 @reexport using .Callbacks
 
-
 end