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Move OptimizationStats to SciMLBase #600
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@enum ObjSense MinSense MaxSense | ||
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@doc doc""" | ||
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Defines an optimization problem. | ||
Documentation Page: https://docs.sciml.ai/Optimization/stable/API/optimization_problem/ | ||
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## Mathematical Specification of an Optimization Problem | ||
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To define an optimization problem, you need the objective function ``f`` | ||
which is minimized over the domain of ``u``, the collection of optimization variables: | ||
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```math | ||
min_u f(u,p) | ||
``` | ||
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``u₀`` is an initial guess for the minimizer. `f` should be specified as `f(u,p)` | ||
and `u₀` should be an `AbstractArray` whose geometry matches the | ||
desired geometry of `u`. Note that we are not limited to vectors | ||
for `u₀`; one is allowed to provide `u₀` as arbitrary matrices / | ||
higher-dimension tensors as well. | ||
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## Problem Type | ||
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### Constructors | ||
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```julia | ||
OptimizationProblem{iip}(f, u0, p = SciMLBase.NullParameters(),; | ||
lb = nothing, | ||
ub = nothing, | ||
lcons = nothing, | ||
ucons = nothing, | ||
sense = nothing, | ||
kwargs...) | ||
``` | ||
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`isinplace` optionally sets whether the function is in-place or not. | ||
This is determined automatically, but not inferred. Note that for OptimizationProblem, | ||
in-place refers to the objective's derivative functions, the constraint function | ||
and its derivatives. `OptimizationProblem` currently only supports in-place. | ||
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Parameters `p` are optional, and if not given, then a `NullParameters()` singleton | ||
will be used, which will throw nice errors if you try to index non-existent | ||
parameters. | ||
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`lb` and `ub` are the upper and lower bounds for box constraints on the | ||
optimization variables. They should be an `AbstractArray` matching the geometry of `u`, | ||
where `(lb[i],ub[i])` is the box constraint (lower and upper bounds) for `u[i]`. | ||
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`lcons` and `ucons` are the upper and lower bounds in case of inequality constraints on the | ||
optimization and if they are set to be equal then it represents an equality constraint. | ||
They should be an `AbstractArray` matching the geometry of `u`, where `(lcons[i],ucons[i])` | ||
are the lower and upper bounds for `cons[i]`. | ||
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The `f` in the `OptimizationProblem` should typically be an instance of [`OptimizationFunction`](https://docs.sciml.ai/Optimization/stable/API/optimization_function/#optfunction) | ||
to specify the objective function and its derivatives either by passing | ||
predefined functions for them or automatically generated using the [ADType](https://github.com/SciML/ADTypes.jl). | ||
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If `f` is a standard Julia function, it is automatically transformed into an | ||
`OptimizationFunction` with `NoAD()`, meaning the derivative functions are not | ||
automatically generated. | ||
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Any extra keyword arguments are captured to be sent to the optimizers. | ||
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### Fields | ||
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* `f`: the function in the problem. | ||
* `u0`: the initial guess for the optimization variables. | ||
* `p`: the constant parameters used for defining the problem. Defaults to `NullParameters`. | ||
* `lb`: the lower bounds for the optimization variables `u`. | ||
* `ub`: the upper bounds for the optimization variables `u`. | ||
* `int`: integrality indicator for `u`. If `int[i] == true`, then `u[i]` is an integer variable. | ||
Defaults to `nothing`, implying no integrality constraints. | ||
* `lcons`: the vector of lower bounds for the constraints passed to [OptimizationFunction](https://docs.sciml.ai/Optimization/stable/API/optimization_function/#optfunction). | ||
Defaults to `nothing`, implying no lower bounds for the constraints (i.e. the constraint bound is `-Inf`) | ||
* `ucons`: the vector of upper bounds for the constraints passed to [`OptimizationFunction`](https://docs.sciml.ai/Optimization/stable/API/optimization_function/#optfunction). | ||
Defaults to `nothing`, implying no upper bounds for the constraints (i.e. the constraint bound is `Inf`) | ||
* `sense`: the objective sense, can take `MaxSense` or `MinSense` from Optimization.jl. | ||
* `kwargs`: the keyword arguments passed on to the solvers. | ||
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## Inequality and Equality Constraints | ||
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Both inequality and equality constraints are defined by the `f.cons` function in the [`OptimizationFunction`](https://docs.sciml.ai/Optimization/stable/API/optimization_function/#optfunction) | ||
description of the problem structure. This `f.cons` is given as a function `f.cons(u,p)` which computes | ||
the value of the constraints at `u`. For example, take `f.cons(u,p) = u[1] - u[2]`. | ||
With these definitions, `lcons` and `ucons` define the bounds on the constraint that the solvers try to satisfy. | ||
If `lcons` and `ucons` are `nothing`, then there are no constraints bounds, meaning that the constraint is satisfied when `-Inf < f.cons < Inf` (which of course is always!). If `lcons[i] = ucons[i] = 0`, then the constraint is satisfied when `f.cons(u,p)[i] = 0`, and so this implies the equality constraint `u[1] = u[2]`. If `lcons[i] = ucons[i] = a`, then ``u[1] - u[2] = a`` is the equality constraint. | ||
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Inequality constraints are then given by making `lcons[i] != ucons[i]`. For example, `lcons[i] = -Inf` and `ucons[i] = 0` would imply the inequality constraint ``u[1] <= u[2]`` since any `f.cons[i] <= 0` satisfies the constraint. Similarly, `lcons[i] = -1` and `ucons[i] = 1` would imply that `-1 <= f.cons[i] <= 1` is required or ``-1 <= u[1] - u[2] <= 1``. | ||
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Note that these vectors must be sized to match the number of constraints, with one set of conditions for each constraint. | ||
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""" | ||
struct OptimizationProblem{iip, F, uType, P, LB, UB, I, LC, UC, S, K} <: | ||
AbstractOptimizationProblem{iip} | ||
f::F | ||
u0::uType | ||
p::P | ||
lb::LB | ||
ub::UB | ||
int::I | ||
lcons::LC | ||
ucons::UC | ||
sense::S | ||
kwargs::K | ||
@add_kwonly function OptimizationProblem{iip}(f::OptimizationFunction{iip}, u0, | ||
p = NullParameters(); | ||
lb = nothing, ub = nothing, int = nothing, | ||
lcons = nothing, ucons = nothing, | ||
sense = nothing, kwargs...) where {iip} | ||
if xor(lb === nothing, ub === nothing) | ||
error("If any of `lb` or `ub` is provided, both must be provided.") | ||
end | ||
warn_paramtype(p) | ||
new{iip, typeof(f), typeof(u0), typeof(p), | ||
typeof(lb), typeof(ub), typeof(int), typeof(lcons), typeof(ucons), | ||
typeof(sense), typeof(kwargs)}(f, u0, p, lb, ub, int, lcons, ucons, sense, | ||
kwargs) | ||
end | ||
end | ||
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TruncatedStacktraces.@truncate_stacktrace OptimizationProblem 1 3 | ||
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function OptimizationProblem(f::OptimizationFunction, args...; kwargs...) | ||
OptimizationProblem{isinplace(f)}(f, args...; kwargs...) | ||
end | ||
function OptimizationProblem(f, args...; kwargs...) | ||
isinplace(f, 2, has_two_dispatches = false) | ||
OptimizationProblem{true}(OptimizationFunction{true}(f), args...; kwargs...) | ||
end | ||
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function OptimizationFunction(f::NonlinearFunction, adtype::AbstractADType = NoAD(); kwargs...) | ||
if isinplace(f) | ||
throw(ArgumentError("Converting NonlinearFunction to OptimizationFunction is not supported with in-place functions yet.")) | ||
end | ||
OptimizationFunction((u, p) -> sum(abs2, f(u, p)), adtype; kwargs...) | ||
end | ||
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function OptimizationProblem(prob::NonlinearLeastSquaresProblem, adtype::AbstractADType = NoAD(); kwargs...) | ||
if isinplace(prob) | ||
throw(ArgumentError("Converting NonlinearLeastSquaresProblem to OptimizationProblem is not supported with in-place functions yet.")) | ||
end | ||
optf = OptimizationFunction(prob.f, adtype; kwargs...) | ||
return OptimizationProblem(optf, prob.u0, prob.p; prob.kwargs..., kwargs...) | ||
end | ||
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isinplace(f::OptimizationFunction{iip}) where {iip} = iip | ||
isinplace(f::OptimizationProblem{iip}) where {iip} = iip | ||
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As a cleanup, @avik-pal we should start removing this wherever we see it