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feat: support initializeprobpmap in relevant SciMLFunctions #760

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Merged
merged 6 commits into from
Oct 7, 2024
Merged

feat: support initializeprobpmap in relevant SciMLFunctions #760

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8723590
feat: support `initializeprobpmap` in relevant `SciMLFunction`s
AayushSabharwal Aug 6, 2024
02d4a08
feat: implement `constructorof` for `ODEProblem`
AayushSabharwal Aug 6, 2024
991e559
fix: use tspan in `updated_u0_p` for initial values dependent on time
AayushSabharwal Aug 21, 2024
bad69a2
refactor: change `remake_initializeprob` to also return `initializepr…
AayushSabharwal Aug 21, 2024
f69ad5a
feat: add `update_initializeprob!` to relevant SciMLFunctions, `remake`
AayushSabharwal Sep 16, 2024
a25ee6a
feat: add `build_initializeprob = true` flag to `remake(::ODEProblem)`
AayushSabharwal Sep 26, 2024
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11 changes: 11 additions & 0 deletions src/problems/ode_problems.jl
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Original file line number Diff line number Diff line change
Expand Up @@ -174,6 +174,17 @@ function Base.setproperty!(prob::ODEProblem, s::Symbol, v, order::Symbol)
Base.setfield!(prob, s, v, order)
end

function ConstructionBase.constructorof(::Type{P}) where {P <: ODEProblem}
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@ChrisRackauckas ChrisRackauckas Oct 7, 2024

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why is this needed?

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@AayushSabharwal AayushSabharwal Oct 7, 2024

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For SciML/DiffEqBase.jl#1070, but it might not be now.

function ctor(f, u0, tspan, p, kw, pt)
if f isa AbstractODEFunction
iip = isinplace(f)
else
iip = isinplace(f, 4)
end
return ODEProblem{iip}(f, u0, tspan, p, pt; kw...)
end
end

"""
ODEProblem(f::ODEFunction,u0,tspan,p=NullParameters(),callback=CallbackSet())

Expand Down
84 changes: 54 additions & 30 deletions src/remake.jl
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Expand Up @@ -112,20 +112,24 @@ function remake(prob::ODEProblem; f = missing,
p = missing,
kwargs = missing,
interpret_symbolicmap = true,
build_initializeprob = true,
use_defaults = false,
_kwargs...)
if tspan === missing
tspan = prob.tspan
end

newu0, newp = updated_u0_p(prob, u0, p; interpret_symbolicmap, use_defaults)
newu0, newp = updated_u0_p(prob, u0, p, tspan[1]; interpret_symbolicmap, use_defaults)
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@ChrisRackauckas ChrisRackauckas Oct 7, 2024

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is this breaking downstream?


iip = isinplace(prob)

if f === missing
initializeprob, initializeprobmap = remake_initializeprob(
prob.f.sys, prob.f, u0 === missing ? newu0 : u0,
tspan[1], p === missing ? newp : p)
if build_initializeprob
initializeprob, update_initializeprob!, initializeprobmap, initializeprobpmap = remake_initializeprob(
prob.f.sys, prob.f, u0, tspan[1], p)
else
initializeprob = update_initializeprob! = initializeprobmap = initializeprobpmap = nothing
end
if specialization(prob.f) === FunctionWrapperSpecialize
ptspan = promote_tspan(tspan)
if iip
Expand All @@ -134,14 +138,14 @@ function remake(prob::ODEProblem; f = missing,
unwrapped_f(prob.f.f),
(newu0, newu0, newp,
ptspan[1]));
initializeprob, initializeprobmap)
initializeprob, update_initializeprob!, initializeprobmap, initializeprobpmap)
else
_f = ODEFunction{iip, FunctionWrapperSpecialize}(
wrapfun_oop(
unwrapped_f(prob.f.f),
(newu0, newp,
ptspan[1]));
initializeprob, initializeprobmap)
initializeprob, update_initializeprob!, initializeprobmap, initializeprobpmap)
end
else
_f = prob.f
Expand All @@ -152,13 +156,27 @@ function remake(prob::ODEProblem; f = missing,
_f = parameterless_type(_f){
iip, specialization(_f), map(typeof, props)...}(props...)
end
if __has_update_initializeprob!(_f)
props = getproperties(_f)
@reset props.update_initializeprob! = update_initializeprob!
props = values(props)
_f = parameterless_type(_f){
iip, specialization(_f), map(typeof, props)...}(props...)
end
if __has_initializeprobmap(_f)
props = getproperties(_f)
@reset props.initializeprobmap = initializeprobmap
props = values(props)
_f = parameterless_type(_f){
iip, specialization(_f), map(typeof, props)...}(props...)
end
if __has_initializeprobpmap(_f)
props = getproperties(_f)
@reset props.initializeprobpmap = initializeprobpmap
props = values(props)
_f = parameterless_type(_f){
iip, specialization(_f), map(typeof, props)...}(props...)
end
end
elseif f isa AbstractODEFunction
_f = f
Expand Down Expand Up @@ -189,15 +207,20 @@ end
remake_initializeprob(sys, scimlfn, u0, t0, p)

Re-create the initialization problem present in the function `scimlfn`, using the
associated system `sys`, and the new values of `u0`, initial time `t0` and `p`. By
default, returns `nothing, nothing` if `scimlfn` does not have an initialization
problem, and `scimlfn.initializeprob, scimlfn.initializeprobmap` if it does.
associated system `sys`, and the user-provided new values of `u0`, initial time `t0` and
`p`. By default, returns `nothing, nothing, nothing, nothing` if `scimlfn` does not have an
initialization problem, and
`scimlfn.initializeprob, scimlfn.update_initializeprob!, scimlfn.initializeprobmap, scimlfn.initializeprobpmap`
if it does.

Note that `u0` or `p` may be `missing` if the user does not provide a value for them.
"""
function remake_initializeprob(sys, scimlfn, u0, t0, p)
if !has_initializeprob(scimlfn)
return nothing, nothing
return nothing, nothing, nothing, nothing
end
return scimlfn.initializeprob, scimlfn.initializeprobmap
return scimlfn.initializeprob,
scimlfn.update_initializeprob!, scimlfn.initializeprobmap, scimlfn.initializeprobpmap
end

"""
Expand All @@ -214,7 +237,7 @@ function remake(prob::BVProblem{uType, tType, iip, nlls}; f = missing, bc = miss
tspan = prob.tspan
end

u0, p = updated_u0_p(prob, u0, p; interpret_symbolicmap, use_defaults)
u0, p = updated_u0_p(prob, u0, p, tspan[1]; interpret_symbolicmap, use_defaults)

if problem_type === missing
problem_type = prob.problem_type
Expand Down Expand Up @@ -280,7 +303,7 @@ function remake(prob::SDEProblem;
tspan = prob.tspan
end

u0, p = updated_u0_p(prob, u0, p; interpret_symbolicmap, use_defaults)
u0, p = updated_u0_p(prob, u0, p, tspan[1]; interpret_symbolicmap, use_defaults)

if noise === missing
noise = prob.noise
Expand Down Expand Up @@ -496,35 +519,35 @@ anydict(d) = Dict{Any, Any}(d)
anydict() = Dict{Any, Any}()

function _updated_u0_p_internal(
prob, ::Missing, ::Missing; interpret_symbolicmap = true, use_defaults = false)
prob, ::Missing, ::Missing, t0; interpret_symbolicmap = true, use_defaults = false)
return state_values(prob), parameter_values(prob)
end
function _updated_u0_p_internal(
prob, ::Missing, p; interpret_symbolicmap = true, use_defaults = false)
prob, ::Missing, p, t0; interpret_symbolicmap = true, use_defaults = false)
u0 = state_values(prob)

if p isa AbstractArray && isempty(p)
return _updated_u0_p_internal(
prob, u0, parameter_values(prob); interpret_symbolicmap)
prob, u0, parameter_values(prob), t0; interpret_symbolicmap)
end
eltype(p) <: Pair && interpret_symbolicmap || return u0, p
defs = default_values(prob)
p = fill_p(prob, anydict(p); defs, use_defaults)
return _updated_u0_p_symmap(prob, u0, Val(false), p, Val(true))
return _updated_u0_p_symmap(prob, u0, Val(false), p, Val(true), t0)
end

function _updated_u0_p_internal(
prob, u0, ::Missing; interpret_symbolicmap = true, use_defaults = false)
prob, u0, ::Missing, t0; interpret_symbolicmap = true, use_defaults = false)
p = parameter_values(prob)

eltype(u0) <: Pair || return u0, p
defs = default_values(prob)
u0 = fill_u0(prob, anydict(u0); defs, use_defaults)
return _updated_u0_p_symmap(prob, u0, Val(true), p, Val(false))
return _updated_u0_p_symmap(prob, u0, Val(true), p, Val(false), t0)
end

function _updated_u0_p_internal(
prob, u0, p; interpret_symbolicmap = true, use_defaults = false)
prob, u0, p, t0; interpret_symbolicmap = true, use_defaults = false)
isu0symbolic = eltype(u0) <: Pair
ispsymbolic = eltype(p) <: Pair && interpret_symbolicmap

Expand All @@ -538,7 +561,7 @@ function _updated_u0_p_internal(
if ispsymbolic
p = fill_p(prob, anydict(p); defs, use_defaults)
end
return _updated_u0_p_symmap(prob, u0, Val(isu0symbolic), p, Val(ispsymbolic))
return _updated_u0_p_symmap(prob, u0, Val(isu0symbolic), p, Val(ispsymbolic), t0)
end

function fill_u0(prob, u0; defs = nothing, use_defaults = false)
Expand Down Expand Up @@ -629,7 +652,7 @@ function fill_p(prob, p; defs = nothing, use_defaults = false)
return newvals
end

function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{false})
function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{false}, t0)
isdep = any(symbolic_type(v) !== NotSymbolic() for (_, v) in u0)
isdep || return remake_buffer(prob, state_values(prob), keys(u0), values(u0)), p

Expand All @@ -642,13 +665,13 @@ function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{false})
# FIXME: need to provide `u` since the observed function expects it.
# This is sort of an implicit dependency on MTK. The values of `u` won't actually be
# used, since any state symbols in the expression were substituted out earlier.
temp_state = ProblemState(; u = state_values(prob), p = p)
temp_state = ProblemState(; u = state_values(prob), p = p, t = t0)
u0 = anydict(k => symbolic_type(v) === NotSymbolic() ? v : getu(prob, v)(temp_state)
for (k, v) in u0)
return remake_buffer(prob, state_values(prob), keys(u0), values(u0)), p
end

function _updated_u0_p_symmap(prob, u0, ::Val{false}, p, ::Val{true})
function _updated_u0_p_symmap(prob, u0, ::Val{false}, p, ::Val{true}, t0)
isdep = any(symbolic_type(v) !== NotSymbolic() for (_, v) in p)
isdep || return u0, remake_buffer(prob, parameter_values(prob), keys(p), values(p))

Expand All @@ -661,13 +684,13 @@ function _updated_u0_p_symmap(prob, u0, ::Val{false}, p, ::Val{true})
# FIXME: need to provide `p` since the observed function expects an `MTKParameters`
# this is sort of an implicit dependency on MTK. The values of `p` won't actually be
# used, since any parameter symbols in the expression were substituted out earlier.
temp_state = ProblemState(; u = u0, p = parameter_values(prob))
temp_state = ProblemState(; u = u0, p = parameter_values(prob), t = t0)
p = anydict(k => symbolic_type(v) === NotSymbolic() ? v : getu(prob, v)(temp_state)
for (k, v) in p)
return u0, remake_buffer(prob, parameter_values(prob), keys(p), values(p))
end

function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{true})
function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{true}, t0)
isu0dep = any(symbolic_type(v) !== NotSymbolic() for (_, v) in u0)
ispdep = any(symbolic_type(v) !== NotSymbolic() for (_, v) in p)

Expand All @@ -677,11 +700,11 @@ function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{true})
end
if !isu0dep
u0 = remake_buffer(prob, state_values(prob), keys(u0), values(u0))
return _updated_u0_p_symmap(prob, u0, Val(false), p, Val(true))
return _updated_u0_p_symmap(prob, u0, Val(false), p, Val(true), t0)
end
if !ispdep
p = remake_buffer(prob, parameter_values(prob), keys(p), values(p))
return _updated_u0_p_symmap(prob, u0, Val(true), p, Val(false))
return _updated_u0_p_symmap(prob, u0, Val(true), p, Val(false), t0)
end

varmap = merge(u0, p)
Expand All @@ -693,7 +716,8 @@ function _updated_u0_p_symmap(prob, u0, ::Val{true}, p, ::Val{true})
remake_buffer(prob, parameter_values(prob), keys(p), values(p))
end

function updated_u0_p(prob, u0, p; interpret_symbolicmap = true, use_defaults = false)
function updated_u0_p(
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@ChrisRackauckas ChrisRackauckas Oct 7, 2024

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nope it's here

prob, u0, p, t0 = nothing; interpret_symbolicmap = true, use_defaults = false)
if u0 === missing && p === missing
return state_values(prob), parameter_values(prob)
end
Expand All @@ -712,7 +736,7 @@ function updated_u0_p(prob, u0, p; interpret_symbolicmap = true, use_defaults =
return (u0 === missing ? state_values(prob) : u0),
(p === missing ? parameter_values(prob) : p)
end
return _updated_u0_p_internal(prob, u0, p; interpret_symbolicmap, use_defaults)
return _updated_u0_p_internal(prob, u0, p, t0; interpret_symbolicmap, use_defaults)
end

# overloaded in MTK to intercept symbolic remake
Expand Down
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