Merge pull request SciML#3253 from AayushSabharwal/as/init-everywhere

feat: create initialization systems for all problem types

Author: ChrisRackauckas

Project.toml

@@ -89,6 +89,7 @@ ConstructionBase = "1"
 DataInterpolations = "6.4"
 DataStructures = "0.17, 0.18"
 DeepDiffs = "1"
+DelayDiffEq = "5.50"
 DiffEqBase = "6.157"
 DiffEqCallbacks = "2.16, 3, 4"
 DiffEqNoiseProcess = "5"
@@ -117,7 +118,7 @@ Libdl = "1"
 LinearAlgebra = "1"
 MLStyle = "0.4.17"
 NaNMath = "0.3, 1"
-NonlinearSolve = "3.14, 4"
+NonlinearSolve = "4.3"
 OffsetArrays = "1"
 OrderedCollections = "1"
 OrdinaryDiffEq = "6.82.0"
@@ -129,15 +130,17 @@ RecursiveArrayTools = "3.26"
 Reexport = "0.2, 1"
 RuntimeGeneratedFunctions = "0.5.9"
 SCCNonlinearSolve = "1.0.0"
-SciMLBase = "2.66"
+SciMLBase = "2.68.1"
 SciMLStructures = "1.0"
 Serialization = "1"
 Setfield = "0.7, 0.8, 1"
 SimpleNonlinearSolve = "0.1.0, 1, 2"
 SparseArrays = "1"
 SpecialFunctions = "0.7, 0.8, 0.9, 0.10, 1.0, 2"
 StaticArrays = "0.10, 0.11, 0.12, 1.0"
-SymbolicIndexingInterface = "0.3.35"
+StochasticDiffEq = "6.72.1"
+StochasticDelayDiffEq = "1.8.1"
+SymbolicIndexingInterface = "0.3.36"
 SymbolicUtils = "3.7"
 Symbolics = "6.19"
 URIs = "1"

src/systems/diffeqs/abstractodesystem.jl

@@ -359,10 +359,7 @@ function DiffEqBase.ODEFunction{iip, specialize}(sys::AbstractODESystem,
         sparsity = false,
         analytic = nothing,
         split_idxs = nothing,
-        initializeprob = nothing,
-        update_initializeprob! = nothing,
-        initializeprobmap = nothing,
-        initializeprobpmap = nothing,
+        initialization_data = nothing,
         kwargs...) where {iip, specialize}
     if !iscomplete(sys)
         error("A completed system is required. Call `complete` or `structural_simplify` on the system before creating an `ODEFunction`")
@@ -463,10 +460,7 @@ function DiffEqBase.ODEFunction{iip, specialize}(sys::AbstractODESystem,
         observed = observedfun,
         sparsity = sparsity ? jacobian_sparsity(sys) : nothing,
         analytic = analytic,
-        initializeprob = initializeprob,
-        update_initializeprob! = update_initializeprob!,
-        initializeprobmap = initializeprobmap,
-        initializeprobpmap = initializeprobpmap)
+        initialization_data)
 end
 
 """
@@ -496,10 +490,7 @@ function DiffEqBase.DAEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys)
         sparse = false, simplify = false,
         eval_module = @__MODULE__,
         checkbounds = false,
-        initializeprob = nothing,
-        initializeprobmap = nothing,
-        initializeprobpmap = nothing,
-        update_initializeprob! = nothing,
+        initialization_data = nothing,
         kwargs...) where {iip}
     if !iscomplete(sys)
         error("A completed system is required. Call `complete` or `structural_simplify` on the system before creating a `DAEFunction`")
@@ -547,15 +538,12 @@ function DiffEqBase.DAEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys)
         nothing
     end
 
-    DAEFunction{iip}(f,
+    DAEFunction{iip}(f;
         sys = sys,
         jac = _jac === nothing ? nothing : _jac,
         jac_prototype = jac_prototype,
         observed = observedfun,
-        initializeprob = initializeprob,
-        initializeprobmap = initializeprobmap,
-        initializeprobpmap = initializeprobpmap,
-        update_initializeprob! = update_initializeprob!)
+        initialization_data)
 end
 
 function DiffEqBase.DDEFunction(sys::AbstractODESystem, args...; kwargs...)
@@ -567,6 +555,7 @@ function DiffEqBase.DDEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys)
         eval_expression = false,
         eval_module = @__MODULE__,
         checkbounds = false,
+        initialization_data = nothing,
         kwargs...) where {iip}
     if !iscomplete(sys)
         error("A completed system is required. Call `complete` or `structural_simplify` on the system before creating an `DDEFunction`")
@@ -579,7 +568,7 @@ function DiffEqBase.DDEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys)
     f(u, h, p, t) = f_oop(u, h, p, t)
     f(du, u, h, p, t) = f_iip(du, u, h, p, t)
 
-    DDEFunction{iip}(f, sys = sys)
+    DDEFunction{iip}(f; sys = sys, initialization_data)
 end
 
 function DiffEqBase.SDDEFunction(sys::AbstractODESystem, args...; kwargs...)
@@ -591,6 +580,7 @@ function DiffEqBase.SDDEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys
         eval_expression = false,
         eval_module = @__MODULE__,
         checkbounds = false,
+        initialization_data = nothing,
         kwargs...) where {iip}
     if !iscomplete(sys)
         error("A completed system is required. Call `complete` or `structural_simplify` on the system before creating an `SDDEFunction`")
@@ -609,7 +599,7 @@ function DiffEqBase.SDDEFunction{iip}(sys::AbstractODESystem, dvs = unknowns(sys
     g(u, h, p, t) = g_oop(u, h, p, t)
     g(du, u, h, p, t) = g_iip(du, u, h, p, t)
 
-    SDDEFunction{iip}(f, g, sys = sys)
+    SDDEFunction{iip}(f, g; sys = sys, initialization_data)
 end
 
 """
@@ -933,7 +923,7 @@ function DiffEqBase.DDEProblem{iip}(sys::AbstractODESystem, u0map = [],
     h_oop, h_iip = eval_or_rgf.(h_gen; eval_expression, eval_module)
     h(p, t) = h_oop(p, t)
     h(p::MTKParameters, t) = h_oop(p..., t)
-    u0 = h(p, tspan[1])
+    u0 = float.(h(p, tspan[1]))
     if u0 !== nothing
         u0 = u0_constructor(u0)
     end
@@ -1257,23 +1247,23 @@ Generates a NonlinearProblem or NonlinearLeastSquaresProblem from an ODESystem
 which represents the initialization, i.e. the calculation of the consistent
 initial conditions for the given DAE.
 """
-function InitializationProblem(sys::AbstractODESystem, args...; kwargs...)
+function InitializationProblem(sys::AbstractSystem, args...; kwargs...)
     InitializationProblem{true}(sys, args...; kwargs...)
 end
 
-function InitializationProblem(sys::AbstractODESystem, t,
+function InitializationProblem(sys::AbstractSystem, t,
         u0map::StaticArray,
         args...;
         kwargs...)
     InitializationProblem{false, SciMLBase.FullSpecialize}(
         sys, t, u0map, args...; kwargs...)
 end
 
-function InitializationProblem{true}(sys::AbstractODESystem, args...; kwargs...)
+function InitializationProblem{true}(sys::AbstractSystem, args...; kwargs...)
     InitializationProblem{true, SciMLBase.AutoSpecialize}(sys, args...; kwargs...)
 end
 
-function InitializationProblem{false}(sys::AbstractODESystem, args...; kwargs...)
+function InitializationProblem{false}(sys::AbstractSystem, args...; kwargs...)
     InitializationProblem{false, SciMLBase.FullSpecialize}(sys, args...; kwargs...)
 end
 
@@ -1292,8 +1282,8 @@ function Base.showerror(io::IO, e::IncompleteInitializationError)
     println(io, e.uninit)
 end
 
-function InitializationProblem{iip, specialize}(sys::AbstractODESystem,
-        t::Number, u0map = [],
+function InitializationProblem{iip, specialize}(sys::AbstractSystem,
+        t, u0map = [],
         parammap = DiffEqBase.NullParameters();
         guesses = [],
         check_length = true,
@@ -1320,6 +1310,11 @@ function InitializationProblem{iip, specialize}(sys::AbstractODESystem,
                 pmap = parammap, guesses, extra_metadata = (; use_scc)); fully_determined)
     end
 
+    meta = get_metadata(isys)
+    if meta isa InitializationSystemMetadata
+        @set! isys.metadata.oop_reconstruct_u0_p = ReconstructInitializeprob(sys, isys)
+    end
+
     ts = get_tearing_state(isys)
     unassigned_vars = StructuralTransformations.singular_check(ts)
     if warn_initialize_determined && !isempty(unassigned_vars)
@@ -1357,13 +1352,13 @@ function InitializationProblem{iip, specialize}(sys::AbstractODESystem,
         @warn "Initialization system is underdetermined. $neqs equations for $nunknown unknowns. Initialization will default to using least squares. $(scc_message)To suppress this warning pass warn_initialize_determined = false. To make this warning into an error, pass fully_determined = true"
     end
 
-    parammap = parammap isa DiffEqBase.NullParameters || isempty(parammap) ?
-               [get_iv(sys) => t] :
-               merge(todict(parammap), Dict(get_iv(sys) => t))
-    parammap = Dict(k => v for (k, v) in parammap if v !== missing)
-    if isempty(u0map)
-        u0map = Dict()
+    parammap = recursive_unwrap(anydict(parammap))
+    if t !== nothing
+        parammap[get_iv(sys)] = t
     end
+    filter!(kvp -> kvp[2] !== missing, parammap)
+
+    u0map = to_varmap(u0map, unknowns(sys))
     if isempty(guesses)
         guesses = Dict()
     end
@@ -1405,5 +1400,5 @@ function InitializationProblem{iip, specialize}(sys::AbstractODESystem,
     else
         NonlinearLeastSquaresProblem
     end
-    TProb(isys, u0map, parammap; kwargs...)
+    TProb(isys, u0map, parammap; kwargs..., build_initializeprob = false)
 end

src/systems/diffeqs/odesystem.jl

@@ -256,29 +256,16 @@ function ODESystem(deqs::AbstractVector{<:Equation}, iv, dvs, ps;
             :ODESystem, force = true)
     end
     defaults = Dict{Any, Any}(todict(defaults))
+    guesses = Dict{Any, Any}(todict(guesses))
     var_to_name = Dict()
-    process_variables!(var_to_name, defaults, dvs′)
-    process_variables!(var_to_name, defaults, ps′)
-    process_variables!(var_to_name, defaults, [eq.lhs for eq in parameter_dependencies])
-    process_variables!(var_to_name, defaults, [eq.rhs for eq in parameter_dependencies])
+    process_variables!(var_to_name, defaults, guesses, dvs′)
+    process_variables!(var_to_name, defaults, guesses, ps′)
+    process_variables!(
+        var_to_name, defaults, guesses, [eq.lhs for eq in parameter_dependencies])
+    process_variables!(
+        var_to_name, defaults, guesses, [eq.rhs for eq in parameter_dependencies])
     defaults = Dict{Any, Any}(value(k) => value(v)
     for (k, v) in pairs(defaults) if v !== nothing)
-
-    sysdvsguesses = [ModelingToolkit.getguess(st) for st in dvs′]
-    hasaguess = findall(!isnothing, sysdvsguesses)
-    var_guesses = dvs′[hasaguess] .=> sysdvsguesses[hasaguess]
-    sysdvsguesses = isempty(var_guesses) ? Dict() : todict(var_guesses)
-    syspsguesses = [ModelingToolkit.getguess(st) for st in ps′]
-    hasaguess = findall(!isnothing, syspsguesses)
-    ps_guesses = ps′[hasaguess] .=> syspsguesses[hasaguess]
-    syspsguesses = isempty(ps_guesses) ? Dict() : todict(ps_guesses)
-    syspdepguesses = [ModelingToolkit.getguess(eq.lhs) for eq in parameter_dependencies]
-    hasaguess = findall(!isnothing, syspdepguesses)
-    pdep_guesses = [eq.lhs for eq in parameter_dependencies][hasaguess] .=>
-        syspdepguesses[hasaguess]
-    syspdepguesses = isempty(pdep_guesses) ? Dict() : todict(pdep_guesses)
-
-    guesses = merge(sysdvsguesses, syspsguesses, syspdepguesses, todict(guesses))
     guesses = Dict{Any, Any}(value(k) => value(v)
     for (k, v) in pairs(guesses) if v !== nothing)
 

src/systems/diffeqs/sdesystem.jl

@@ -93,6 +93,19 @@ struct SDESystem <: AbstractODESystem
     """
     defaults::Dict
     """
+    The guesses to use as the initial conditions for the
+    initialization system.
+    """
+    guesses::Dict
+    """
+    The system for performing the initialization.
+    """
+    initializesystem::Union{Nothing, NonlinearSystem}
+    """
+    Extra equations to be enforced during the initialization sequence.
+    """
+    initialization_eqs::Vector{Equation}
+    """
     Type of the system.
     """
     connector_type::Any
@@ -144,9 +157,8 @@ struct SDESystem <: AbstractODESystem
     isscheduled::Bool
 
     function SDESystem(tag, deqs, neqs, iv, dvs, ps, tspan, var_to_name, ctrls, observed,
-            tgrad,
-            jac,
-            ctrl_jac, Wfact, Wfact_t, name, description, systems, defaults, connector_type,
+            tgrad, jac, ctrl_jac, Wfact, Wfact_t, name, description, systems, defaults,
+            guesses, initializesystem, initialization_eqs, connector_type,
             cevents, devents, parameter_dependencies, metadata = nothing, gui_metadata = nothing,
             complete = false, index_cache = nothing, parent = nothing, is_scalar_noise = false,
             is_dde = false,
@@ -171,9 +183,9 @@ struct SDESystem <: AbstractODESystem
             check_units(u, deqs, neqs)
         end
         new(tag, deqs, neqs, iv, dvs, ps, tspan, var_to_name, ctrls, observed, tgrad, jac,
-            ctrl_jac,
-            Wfact, Wfact_t, name, description, systems,
-            defaults, connector_type, cevents, devents,
+            ctrl_jac, Wfact, Wfact_t, name, description, systems,
+            defaults, guesses, initializesystem, initialization_eqs, connector_type, cevents,
+            devents,
             parameter_dependencies, metadata, gui_metadata, complete, index_cache, parent, is_scalar_noise,
             is_dde, isscheduled)
     end
@@ -187,6 +199,9 @@ function SDESystem(deqs::AbstractVector{<:Equation}, neqs::AbstractArray, iv, dv
         default_u0 = Dict(),
         default_p = Dict(),
         defaults = _merge(Dict(default_u0), Dict(default_p)),
+        guesses = Dict(),
+        initializesystem = nothing,
+        initialization_eqs = Equation[],
         name = nothing,
         description = "",
         connector_type = nothing,
@@ -207,6 +222,8 @@ function SDESystem(deqs::AbstractVector{<:Equation}, neqs::AbstractArray, iv, dv
     dvs′ = value.(dvs)
     ps′ = value.(ps)
     ctrl′ = value.(controls)
+    parameter_dependencies, ps′ = process_parameter_dependencies(
+        parameter_dependencies, ps′)
 
     sysnames = nameof.(systems)
     if length(unique(sysnames)) != length(sysnames)
@@ -217,13 +234,21 @@ function SDESystem(deqs::AbstractVector{<:Equation}, neqs::AbstractArray, iv, dv
             "`default_u0` and `default_p` are deprecated. Use `defaults` instead.",
             :SDESystem, force = true)
     end
-    defaults = todict(defaults)
-    defaults = Dict(value(k) => value(v)
-    for (k, v) in pairs(defaults) if value(v) !== nothing)
 
+    defaults = Dict{Any, Any}(todict(defaults))
+    guesses = Dict{Any, Any}(todict(guesses))
     var_to_name = Dict()
-    process_variables!(var_to_name, defaults, dvs′)
-    process_variables!(var_to_name, defaults, ps′)
+    process_variables!(var_to_name, defaults, guesses, dvs′)
+    process_variables!(var_to_name, defaults, guesses, ps′)
+    process_variables!(
+        var_to_name, defaults, guesses, [eq.lhs for eq in parameter_dependencies])
+    process_variables!(
+        var_to_name, defaults, guesses, [eq.rhs for eq in parameter_dependencies])
+    defaults = Dict{Any, Any}(value(k) => value(v)
+    for (k, v) in pairs(defaults) if v !== nothing)
+    guesses = Dict{Any, Any}(value(k) => value(v)
+    for (k, v) in pairs(guesses) if v !== nothing)
+
     isempty(observed) || collect_var_to_name!(var_to_name, (eq.lhs for eq in observed))
 
     tgrad = RefValue(EMPTY_TGRAD)
@@ -233,14 +258,13 @@ function SDESystem(deqs::AbstractVector{<:Equation}, neqs::AbstractArray, iv, dv
     Wfact_t = RefValue(EMPTY_JAC)
     cont_callbacks = SymbolicContinuousCallbacks(continuous_events)
     disc_callbacks = SymbolicDiscreteCallbacks(discrete_events)
-    parameter_dependencies, ps′ = process_parameter_dependencies(
-        parameter_dependencies, ps′)
     if is_dde === nothing
         is_dde = _check_if_dde(deqs, iv′, systems)
     end
     SDESystem(Threads.atomic_add!(SYSTEM_COUNT, UInt(1)),
         deqs, neqs, iv′, dvs′, ps′, tspan, var_to_name, ctrl′, observed, tgrad, jac,
-        ctrl_jac, Wfact, Wfact_t, name, description, systems, defaults, connector_type,
+        ctrl_jac, Wfact, Wfact_t, name, description, systems, defaults, guesses,
+        initializesystem, initialization_eqs, connector_type,
         cont_callbacks, disc_callbacks, parameter_dependencies, metadata, gui_metadata,
         complete, index_cache, parent, is_scalar_noise, is_dde; checks = checks)
 end
@@ -520,7 +544,7 @@ function DiffEqBase.SDEFunction{iip, specialize}(sys::SDESystem, dvs = unknowns(
         version = nothing, tgrad = false, sparse = false,
         jac = false, Wfact = false, eval_expression = false,
         eval_module = @__MODULE__,
-        checkbounds = false,
+        checkbounds = false, initialization_data = nothing,
         kwargs...) where {iip, specialize}
     if !iscomplete(sys)
         error("A completed `SDESystem` is required. Call `complete` or `structural_simplify` on the system before creating an `SDEFunction`")
@@ -591,13 +615,13 @@ function DiffEqBase.SDEFunction{iip, specialize}(sys::SDESystem, dvs = unknowns(
 
     observedfun = ObservedFunctionCache(sys; eval_expression, eval_module)
 
-    SDEFunction{iip, specialize}(f, g,
+    SDEFunction{iip, specialize}(f, g;
         sys = sys,
         jac = _jac === nothing ? nothing : _jac,
         tgrad = _tgrad === nothing ? nothing : _tgrad,
         Wfact = _Wfact === nothing ? nothing : _Wfact,
         Wfact_t = _Wfact_t === nothing ? nothing : _Wfact_t,
-        mass_matrix = _M,
+        mass_matrix = _M, initialization_data,
         observed = observedfun)
 end
 
@@ -714,7 +738,7 @@ function DiffEqBase.SDEProblem{iip, specialize}(
     end
     f, u0, p = process_SciMLProblem(
         SDEFunction{iip, specialize}, sys, u0map, parammap; check_length,
-        kwargs...)
+        t = tspan === nothing ? nothing : tspan[1], kwargs...)
     cbs = process_events(sys; callback, kwargs...)
     sparsenoise === nothing && (sparsenoise = get(kwargs, :sparse, false))
 
@@ -736,6 +760,8 @@ function DiffEqBase.SDEProblem{iip, specialize}(
         noise = nothing
     end
 
+    kwargs = filter_kwargs(kwargs)
+
     SDEProblem{iip}(f, u0, tspan, p; callback = cbs, noise,
         noise_rate_prototype = noise_rate_prototype, kwargs...)
 end