Automatically construct the jacobian for FastLM

docs/pages.jl

@@ -2,9 +2,9 @@
 
 pages = ["index.md",
     "Getting Started with Nonlinear Rootfinding in Julia" => "tutorials/getting_started.md",
-    "Tutorials" => Any["Code Optimization for Small Nonlinear Systems" => "tutorials/code_optimization.md",
-        "Handling Large Ill-Conditioned and Sparse Systems" => "tutorials/large_systems.md",
-        "Symbolic System Definition and Acceleration via ModelingToolkit" => "tutorials/modelingtoolkit.md",
+    "Tutorials" => Any["tutorials/code_optimization.md",
+        "tutorials/large_systems.md",
+        "tutorials/modelingtoolkit.md",
         "tutorials/small_compile.md",
         "tutorials/iterator_interface.md"],
     "Basics" => Any["basics/NonlinearProblem.md",
@@ -24,6 +24,8 @@ pages = ["index.md",
         "api/minpack.md",
         "api/nlsolve.md",
         "api/sundials.md",
-        "api/steadystatediffeq.md"],
+        "api/steadystatediffeq.md",
+        "api/leastsquaresoptim.md",
+        "api/fastlevenbergmarquardt.md"],
     "Release Notes" => "release_notes.md",
 ]

ext/NonlinearSolveFastLevenbergMarquardtExt.jl

@@ -3,11 +3,12 @@ module NonlinearSolveFastLevenbergMarquardtExt
 using ArrayInterface, NonlinearSolve, SciMLBase
 import ConcreteStructs: @concrete
 import FastLevenbergMarquardt as FastLM
+import FiniteDiff, ForwardDiff
 
 function _fast_lm_solver(::FastLevenbergMarquardtJL{linsolve}, x) where {linsolve}
-    if linsolve == :cholesky
+    if linsolve === :cholesky
         return FastLM.CholeskySolver(ArrayInterface.undefmatrix(x))
-    elseif linsolve == :qr
+    elseif linsolve === :qr
         return FastLM.QRSolver(eltype(x), length(x))
     else
         throw(ArgumentError("Unknown FastLevenbergMarquardt Linear Solver: $linsolve"))
@@ -33,23 +34,65 @@ end
 
 function SciMLBase.__init(prob::NonlinearLeastSquaresProblem,
         alg::FastLevenbergMarquardtJL, args...; alias_u0 = false, abstol = 1e-8,
-        reltol = 1e-8, verbose = false, maxiters = 1000, kwargs...)
+        reltol = 1e-8, maxiters = 1000, kwargs...)
     iip = SciMLBase.isinplace(prob)
-    u0 = alias_u0 ? prob.u0 : deepcopy(prob.u0)
-
-    @assert prob.f.jac!==nothing "FastLevenbergMarquardt requires a Jacobian!"
+    u = NonlinearSolve.__maybe_unaliased(prob.u0, alias_u0)
+    fu = NonlinearSolve.evaluate_f(prob, u)
 
     f! = InplaceFunction{iip}(prob.f)
-    J! = InplaceFunction{iip}(prob.f.jac)
 
-    resid_prototype = prob.f.resid_prototype === nothing ?
-                      (!iip ? prob.f(u0, prob.p) : zeros(u0)) :
-                      prob.f.resid_prototype
+    if prob.f.jac === nothing
+        use_forward_diff = if alg.autodiff === nothing
+            ForwardDiff.can_dual(eltype(u))
+        else
+            alg.autodiff isa AutoForwardDiff
+        end
+        uf = SciMLBase.JacobianWrapper{iip}(prob.f, prob.p)
+        if use_forward_diff
+            cache = iip ? ForwardDiff.JacobianConfig(uf, fu, u) :
+                    ForwardDiff.JacobianConfig(uf, u)
+        else
+            cache = FiniteDiff.JacobianCache(u, fu)
+        end
+        J! = if iip
+            if use_forward_diff
+                fu_cache = similar(fu)
+                function (J, x, p)
+                    uf.p = p
+                    ForwardDiff.jacobian!(J, uf, fu_cache, x, cache)
+                    return J
+                end
+            else
+                function (J, x, p)
+                    uf.p = p
+                    FiniteDiff.finite_difference_jacobian!(J, uf, x, cache)
+                    return J
+                end
+            end
+        else
+            if use_forward_diff
+                function (J, x, p)
+                    uf.p = p
+                    ForwardDiff.jacobian!(J, uf, x, cache)
+                    return J
+                end
+            else
+                function (J, x, p)
+                    uf.p = p
+                    J_ = FiniteDiff.finite_difference_jacobian(uf, x, cache)
+                    copyto!(J, J_)
+                    return J
+                end
+            end
+        end
+    else
+        J! = InplaceFunction{iip}(prob.f.jac)
+    end
 
-    J = similar(u0, length(resid_prototype), length(u0))
+    J = similar(u, length(fu), length(u))
 
-    solver = _fast_lm_solver(alg, u0)
-    LM = FastLM.LMWorkspace(u0, resid_prototype, J)
+    solver = _fast_lm_solver(alg, u)
+    LM = FastLM.LMWorkspace(u, fu, J)
 
     return FastLevenbergMarquardtJLCache(f!, J!, prob, alg, LM, solver,
         (; xtol = abstol, ftol = reltol, maxit = maxiters, alg.factor, alg.factoraccept,

ext/NonlinearSolveLeastSquaresOptimExt.jl

@@ -5,12 +5,12 @@ import ConcreteStructs: @concrete
 import LeastSquaresOptim as LSO
 
 function _lso_solver(::LeastSquaresOptimJL{alg, linsolve}) where {alg, linsolve}
-    ls = linsolve == :qr ? LSO.QR() :
-         (linsolve == :cholesky ? LSO.Cholesky() :
-          (linsolve == :lsmr ? LSO.LSMR() : nothing))
-    if alg == :lm
+    ls = linsolve === :qr ? LSO.QR() :
+         (linsolve === :cholesky ? LSO.Cholesky() :
+          (linsolve === :lsmr ? LSO.LSMR() : nothing))
+    if alg === :lm
         return LSO.LevenbergMarquardt(ls)
-    elseif alg == :dogleg
+    elseif alg === :dogleg
         return LSO.Dogleg(ls)
     else
         throw(ArgumentError("Unknown LeastSquaresOptim Algorithm: $alg"))

src/default.jl

@@ -244,8 +244,10 @@ function FastShortcutNonlinearPolyalg(; concrete_jac = nothing, linsolve = nothi
         autodiff = nothing) where {JAC, SA}
     if JAC
         if SA
-            algs = (SimpleNewtonRaphson(; autodiff),
-                SimpleTrustRegion(; autodiff),
+            algs = (SimpleNewtonRaphson(;
+                    autodiff = ifelse(autodiff === nothing, AutoForwardDiff(), autodiff)),
+                SimpleTrustRegion(;
+                    autodiff = ifelse(autodiff === nothing, AutoForwardDiff(), autodiff)),
                 NewtonRaphson(; concrete_jac, linsolve, precs, linesearch = BackTracking(),
                     autodiff),
                 TrustRegion(; concrete_jac, linsolve, precs,
@@ -263,8 +265,10 @@ function FastShortcutNonlinearPolyalg(; concrete_jac = nothing, linsolve = nothi
             algs = (SimpleBroyden(),
                 Broyden(; init_jacobian = Val(:true_jacobian)),
                 SimpleKlement(),
-                SimpleNewtonRaphson(; autodiff),
-                SimpleTrustRegion(; autodiff),
+                SimpleNewtonRaphson(;
+                    autodiff = ifelse(autodiff === nothing, AutoForwardDiff(), autodiff)),
+                SimpleTrustRegion(;
+                    autodiff = ifelse(autodiff === nothing, AutoForwardDiff(), autodiff)),
                 NewtonRaphson(; concrete_jac, linsolve, precs, linesearch = BackTracking(),
                     autodiff),
                 TrustRegion(; concrete_jac, linsolve, precs,

src/extension_algs.jl

@@ -36,7 +36,7 @@ function LeastSquaresOptimJL(alg = :lm; linsolve = nothing, autodiff::Symbol = :
 end
 
 """
-    FastLevenbergMarquardtJL(linsolve = :cholesky)
+    FastLevenbergMarquardtJL(linsolve = :cholesky; autodiff = nothing)
 
 Wrapper over [FastLevenbergMarquardt.jl](https://github.com/kamesy/FastLevenbergMarquardt.jl)
 for solving `NonlinearLeastSquaresProblem`.
@@ -46,19 +46,20 @@ for solving `NonlinearLeastSquaresProblem`.
     This is not really the fastest solver. It is called that since the original package
     is called "Fast". `LevenbergMarquardt()` is almost always a better choice.
 
-!!! warning
-
-    This algorithm requires the jacobian function to be provided!
-
 ## Arguments:
 
   - `linsolve`: Linear solver to use. Can be `:qr` or `:cholesky`.
+  - `autodiff`: determines the backend used for the Jacobian. Note that this argument is
+    ignored if an analytical Jacobian is passed, as that will be used instead. Defaults to
+    `nothing` which means that a default is selected according to the problem specification!
+    Valid choices are `nothing`, `AutoForwardDiff` or `AutoFiniteDiff`.
 
 !!! note
 
     This algorithm is only available if `FastLevenbergMarquardt.jl` is installed.
 """
 @concrete struct FastLevenbergMarquardtJL{linsolve} <: AbstractNonlinearSolveAlgorithm
+    autodiff
     factor
     factoraccept
     factorreject
@@ -71,14 +72,17 @@ end
 
 function FastLevenbergMarquardtJL(linsolve::Symbol = :cholesky; factor = 1e-6,
         factoraccept = 13.0, factorreject = 3.0, factorupdate = :marquardt,
-        minscale = 1e-12, maxscale = 1e16, minfactor = 1e-28, maxfactor = 1e32)
+        minscale = 1e-12, maxscale = 1e16, minfactor = 1e-28, maxfactor = 1e32,
+        autodiff = nothing)
     @assert linsolve in (:qr, :cholesky)
     @assert factorupdate in (:marquardt, :nielson)
+    @assert autodiff === nothing || autodiff isa AutoFiniteDiff ||
+            autodiff isa AutoForwardDiff
 
     if Base.get_extension(@__MODULE__, :NonlinearSolveFastLevenbergMarquardtExt) === nothing
         error("LeastSquaresOptimJL requires FastLevenbergMarquardt.jl to be loaded")
     end
 
-    return FastLevenbergMarquardtJL{linsolve}(factor, factoraccept, factorreject,
+    return FastLevenbergMarquardtJL{linsolve}(autodiff, factor, factoraccept, factorreject,
         factorupdate, minscale, maxscale, minfactor, maxfactor)
 end

test/nonlinear_least_squares.jl

@@ -89,12 +89,35 @@ function jac!(J, θ, p)
     return J
 end
 
-prob = NonlinearLeastSquaresProblem(NonlinearFunction(loss_function;
-        resid_prototype = zero(y_target), jac = jac!), θ_init, x)
+jac(θ, p) = ForwardDiff.jacobian(θ -> loss_function(θ, p), θ)
 
-solvers = [FastLevenbergMarquardtJL(:cholesky), FastLevenbergMarquardtJL(:qr)]
+probs = [
+    NonlinearLeastSquaresProblem(NonlinearFunction{true}(loss_function;
+            resid_prototype = zero(y_target), jac = jac!), θ_init, x),
+    NonlinearLeastSquaresProblem(NonlinearFunction{false}(loss_function;
+            resid_prototype = zero(y_target), jac = jac), θ_init, x),
+    NonlinearLeastSquaresProblem(NonlinearFunction{false}(loss_function; jac), θ_init, x),
+]
+
+solvers = [FastLevenbergMarquardtJL(linsolve) for linsolve in (:cholesky, :qr)]
+
+for solver in solvers, prob in probs
+    @time sol = solve(prob, solver; maxiters = 10000, abstol = 1e-8)
+    @test norm(sol.resid) < 1e-6
+end
+
+probs = [
+    NonlinearLeastSquaresProblem(NonlinearFunction{true}(loss_function;
+            resid_prototype = zero(y_target)), θ_init, x),
+    NonlinearLeastSquaresProblem(NonlinearFunction{false}(loss_function;
+            resid_prototype = zero(y_target)), θ_init, x),
+    NonlinearLeastSquaresProblem(NonlinearFunction{false}(loss_function), θ_init, x),
+]
+
+solvers = [FastLevenbergMarquardtJL(linsolve; autodiff) for linsolve in (:cholesky, :qr),
+autodiff in (nothing, AutoForwardDiff(), AutoFiniteDiff())]
 
-for solver in solvers
+for solver in solvers, prob in probs
     @time sol = solve(prob, solver; maxiters = 10000, abstol = 1e-8)
     @test norm(sol.resid) < 1e-6
 end