Merge branch 'master' into compathelper/new_version/2024-11-22-03-28-…

…35-271-01723128443

Project.toml

@@ -1,7 +1,7 @@
 name = "SciMLBase"
 uuid = "0bca4576-84f4-4d90-8ffe-ffa030f20462"
 authors = ["Chris Rackauckas <[email protected]> and contributors"]
-version = "2.63.1"
+version = "2.64.0"
 
 [deps]
 ADTypes = "47edcb42-4c32-4615-8424-f2b9edc5f35b"

src/problems/nonlinear_problems.jl

@@ -462,7 +462,64 @@ Note that this example aliases the parameters together for a memory-reduced repr
 * `probs`: the collection of problems to solve
 * `explictfuns!`: the explicit functions for mutating the parameter set
 """
-mutable struct SCCNonlinearProblem{P, E}
+mutable struct SCCNonlinearProblem{uType, iip, P, E, I, Par} <:
+               AbstractNonlinearProblem{uType, iip}
     probs::P
-    explictfuns!::E
+    explicitfuns!::E
+    full_index_provider::I
+    parameter_object::Par
+    parameters_alias::Bool
+
+    function SCCNonlinearProblem{P, E, I, Par}(
+            probs::P, funs::E, indp::I, pobj::Par, alias::Bool) where {P, E, I, Par}
+        u0 = mapreduce(state_values, vcat, probs)
+        uType = typeof(u0)
+        new{uType, false, P, E, I, Par}(probs, funs, indp, pobj, alias)
+    end
+end
+
+function SCCNonlinearProblem(probs, explicitfuns!, full_index_provider = nothing,
+        parameter_object = nothing, parameters_alias = false)
+    return SCCNonlinearProblem{typeof(probs), typeof(explicitfuns!),
+        typeof(full_index_provider), typeof(parameter_object)}(
+        probs, explicitfuns!, full_index_provider, parameter_object, parameters_alias)
+end
+
+function Base.getproperty(prob::SCCNonlinearProblem, name::Symbol)
+    if name == :explictfuns!
+        return getfield(prob, :explicitfuns!)
+    elseif name == :ps
+        return ParameterIndexingProxy(prob)
+    end
+    return getfield(prob, name)
+end
+
+function SymbolicIndexingInterface.symbolic_container(prob::SCCNonlinearProblem)
+    prob.full_index_provider
+end
+function SymbolicIndexingInterface.parameter_values(prob::SCCNonlinearProblem)
+    prob.parameter_object
+end
+function SymbolicIndexingInterface.state_values(prob::SCCNonlinearProblem)
+    mapreduce(state_values, vcat, prob.probs)
+end
+
+function SymbolicIndexingInterface.set_state!(prob::SCCNonlinearProblem, val, idx)
+    for scc in prob.probs
+        svals = state_values(scc)
+        checkbounds(Bool, svals, idx) && return set_state!(scc, val, idx)
+        idx -= length(svals)
+    end
+    throw(BoundsError(state_values(prob), idx))
+end
+
+function SymbolicIndexingInterface.set_parameter!(prob::SCCNonlinearProblem, val, idx)
+    if prob.parameter_object !== nothing
+        set_parameter!(prob.parameter_object, val, idx)
+        prob.parameters_alias && return
+    end
+    for scc in prob.probs
+        is_parameter(scc, idx) || continue
+        set_parameter!(scc, val, idx)
+    end
 end

src/problems/problem_utils.jl

@@ -60,7 +60,7 @@ function Base.show(io::IO, mime::MIME"text/plain", A::AbstractNonlinearProblem)
     summary(io, A)
     println(io)
     print(io, "u0: ")
-    show(io, mime, A.u0)
+    show(io, mime, state_values(A))
 end
 
 function Base.show(io::IO, mime::MIME"text/plain", A::IntervalNonlinearProblem)

src/remake.jl

@@ -125,8 +125,8 @@ function remake(prob::ODEProblem; f = missing,
 
     if f === missing
         if build_initializeprob
-            initialization_data = remake_initialization_data(
-                prob.f.sys, prob.f, u0, tspan[1], p)
+            initialization_data = remake_initialization_data_compat_wrapper(
+                prob.f.sys, prob.f, u0, tspan[1], p, newu0, newp)
         else
             initialization_data = nothing
         end
@@ -203,16 +203,32 @@ function remake_initializeprob(sys, scimlfn, u0, t0, p)
 end
 
 """
-    remake_initialization_data(sys, scimlfn, u0, t0, p)
+    $(TYPEDSIGNATURES)
+
+Wrapper around `remake_initialization_data` for backward compatibility when `newu0` and
+`newp` were not arguments.
+"""
+function remake_initialization_data_compat_wrapper(sys, scimlfn, u0, t0, p, newu0, newp)
+    if hasmethod(remake_initialization_data,
+        Tuple{typeof(sys), typeof(scimlfn), typeof(u0), typeof(t0), typeof(p)})
+        remake_initialization_data(sys, scimlfn, u0, t0, p)
+    else
+        remake_initialization_data(sys, scimlfn, u0, t0, p, newu0, newp)
+    end
+end
+
+"""
+    remake_initialization_data(sys, scimlfn, u0, t0, p, newu0, newp)
 
 Re-create the initialization data present in the function `scimlfn`, using the
-associated system `sys` and the user provided new values of `u0`, initial time `t0` and
-`p`. By default, this calls `remake_initializeprob` for backward compatibility and
-attempts to construct an `OverrideInitData` from the result.
+associated system `sys`, the user provided new values of `u0`, initial time `t0`,
+user-provided `p`, new u0 vector `newu0` and new parameter object `newp`. By default,
+this calls `remake_initializeprob` for backward compatibility and attempts to construct
+an `OverrideInitData` from the result.
 
 Note that `u0` or `p` may be `missing` if the user does not provide a value for them.
 """
-function remake_initialization_data(sys, scimlfn, u0, t0, p)
+function remake_initialization_data(sys, scimlfn, u0, t0, p, newu0, newp)
     return reconstruct_initialization_data(
         nothing, remake_initializeprob(sys, scimlfn, u0, t0, p)...)
 end

test/downstream/Project.toml

@@ -38,7 +38,9 @@ ModelingToolkitStandardLibrary = "2.7"
 NonlinearSolve = "2, 3, 4"
 Optimization = "4"
 OptimizationOptimJL = "0.4"
+OptimizationMOI = "0.5"
 OrdinaryDiffEq = "6.33"
+PartialFunctions = "1"
 Plots = "1.40"
 RecursiveArrayTools = "3"
 SciMLBase = "2"

test/downstream/adjoints.jl

@@ -68,7 +68,7 @@ gs_ts, = Zygote.gradient(sol) do sol
     sum(sum.(sol[[lorenz1.x, lorenz2.x], :]))
 end
 
-@test_broken all(map(x -> x == true_grad_vecsym, gs_ts))
+@test all(map(x -> x == true_grad_vecsym, gs_ts))
 
 # BatchedInterface AD
 @variables x(t)=1.0 y(t)=1.0 z(t)=1.0 w(t)=1.0

test/downstream/problem_interface.jl

@@ -292,3 +292,100 @@ prob = SteadyStateProblem(osys, u0, ps)
       getsym(prob, [:X, :X2])(prob) == [0.1, 0.2]
 @test getsym(prob, (X, X2))(prob) == getsym(prob, (osys.X, osys.X2))(prob) ==
       getsym(prob, (:X, :X2))(prob) == (0.1, 0.2)
+
+@testset "SCCNonlinearProblem" begin
+    # TODO: Rewrite this example when the MTK codegen is merged
+
+    function fullf!(du, u, p)
+        du[1] = cos(u[2]) - u[1]
+        du[2] = sin(u[1] + u[2]) + u[2]
+        du[3] = 2u[4] + u[3] + p[1]
+        du[4] = u[5]^2 + u[4]
+        du[5] = u[3]^2 + u[5]
+        du[6] = u[1] + u[2] + u[3] + u[4] + u[5] + 2.0u[6] + 2.5u[7] + 1.5u[8]
+        du[7] = u[1] + u[2] + u[3] + 2.0u[4] + u[5] + 4.0u[6] - 1.5u[7] + 1.5u[8]
+        du[8] = u[1] + 2.0u[2] + 3.0u[3] + 5.0u[4] + 6.0u[5] + u[6] - u[7] - u[8]
+    end
+    @variables u[1:8]=zeros(8) [irreducible = true]
+    u2 = collect(u)
+    @parameters p = 1.0
+    eqs = Any[0 for _ in 1:8]
+    fullf!(eqs, u, [p])
+    @named model = NonlinearSystem(0 .~ eqs, [u...], [p])
+    model = complete(model; split = false)
+
+    cache = zeros(4)
+    cache[1] = 1.0
+
+    function f1!(du, u, p)
+        du[1] = cos(u[2]) - u[1]
+        du[2] = sin(u[1] + u[2]) + u[2]
+    end
+    explicitfun1(cache, sols) = nothing
+
+    f1!(eqs, u2[1:2], [p])
+    @named subsys1 = NonlinearSystem(0 .~ eqs[1:2], [u2[1:2]...], [p])
+    subsys1 = complete(subsys1; split = false)
+    prob1 = NonlinearProblem(
+        NonlinearFunction{true, SciMLBase.NoSpecialize}(f1!; sys = subsys1),
+        zeros(2), copy(cache))
+
+    function f2!(du, u, p)
+        du[1] = 2u[2] + u[1] + p[1]
+        du[2] = u[3]^2 + u[2]
+        du[3] = u[1]^2 + u[3]
+    end
+    explicitfun2(cache, sols) = nothing
+
+    f2!(eqs, u2[3:5], [p])
+    @named subsys2 = NonlinearSystem(0 .~ eqs[1:3], [u2[3:5]...], [p])
+    subsys2 = complete(subsys2; split = false)
+    prob2 = NonlinearProblem(
+        NonlinearFunction{true, SciMLBase.NoSpecialize}(f2!; sys = subsys2),
+        zeros(3), copy(cache))
+
+    function f3!(du, u, p)
+        du[1] = p[2] + 2.0u[1] + 2.5u[2] + 1.5u[3]
+        du[2] = p[3] + 4.0u[1] - 1.5u[2] + 1.5u[3]
+        du[3] = p[4] + +u[1] - u[2] - u[3]
+    end
+    function explicitfun3(cache, sols)
+        cache[2] = sols[1][1] + sols[1][2] + sols[2][1] + sols[2][2] + sols[2][3]
+        cache[3] = sols[1][1] + sols[1][2] + sols[2][1] + 2.0sols[2][2] + sols[2][3]
+        cache[4] = sols[1][1] + 2.0sols[1][2] + 3.0sols[2][1] + 5.0sols[2][2] +
+                   6.0sols[2][3]
+    end
+
+    @parameters tmpvar[1:3]
+    f3!(eqs, u2[6:8], [p, tmpvar...])
+    @named subsys3 = NonlinearSystem(0 .~ eqs[1:3], [u2[6:8]...], [p, tmpvar...])
+    subsys3 = complete(subsys3; split = false)
+    prob3 = NonlinearProblem(
+        NonlinearFunction{true, SciMLBase.NoSpecialize}(f3!; sys = subsys3),
+        zeros(3), copy(cache))
+
+    prob = NonlinearProblem(model, [])
+    sccprob = SciMLBase.SCCNonlinearProblem([prob1, prob2, prob3],
+        SciMLBase.Void{Any}.([explicitfun1, explicitfun2, explicitfun3]),
+        model, copy(cache))
+
+    for sym in [u, u..., u[2] + u[3], p * u[1] + u[2]]
+        @test prob[sym] ≈ sccprob[sym]
+    end
+
+    for sym in [p, 2p + 1]
+        @test prob.ps[sym] ≈ sccprob.ps[sym]
+    end
+
+    for (i, sym) in enumerate([u[1], u[3], u[6]])
+        sccprob[sym] = 0.5i
+        @test sccprob[sym] ≈ 0.5i
+        @test sccprob.probs[i].u0[1] ≈ 0.5i
+    end
+    sccprob.ps[p] = 2.5
+    @test sccprob.ps[p] ≈ 2.5
+    @test sccprob.parameter_object[1] ≈ 2.5
+    for scc in sccprob.probs
+        @test parameter_values(scc)[1] ≈ 2.5
+    end
+end