Merge pull request #50 from SciML/u/release

ChrisRackauckas · web-flow · commit 81a1fe1093d1 · 2025-04-01T03:48:15.000-04:00
Prepare the package for release
diff --git a/.buildkite/runtests.yml b/.buildkite/runtests.yml
@@ -4,6 +4,7 @@ steps:
       setup:
         version:
           - "1"
+          - "1.10"
     env:
       GROUP: CUDA
     plugins:
@@ -30,7 +31,7 @@ steps:
     matrix:
       setup:
         version:
-          - "1"
+          - "1.10"
     env:
       GROUP: AMDGPU
     plugins:
diff --git a/Project.toml b/Project.toml
@@ -5,22 +5,30 @@ version = "1.0.0-DEV"
 
 [deps]
 Adapt = "79e6a3ab-5dfb-504d-930d-738a2a938a0e"
-CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
 DiffEqGPU = "071ae1c0-96b5-11e9-1965-c90190d839ea"
 Enzyme = "7da242da-08ed-463a-9acd-ee780be4f1d9"
 ForwardDiff = "f6369f11-7733-5829-9624-2563aa707210"
 KernelAbstractions = "63c18a36-062a-441e-b654-da1e3ab1ce7c"
-MLDatasets = "eb30cadb-4394-5ae3-aed4-317e484a6458"
-NonlinearSolve = "8913a72c-1f9b-4ce2-8d82-65094dcecaec"
 Optimization = "7f7a1694-90dd-40f0-9382-eb1efda571ba"
 QuasiMonteCarlo = "8a4e6c94-4038-4cdc-81c3-7e6ffdb2a71b"
 Random = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
 Reexport = "189a3867-3050-52da-a836-e630ba90ab69"
 SciMLBase = "0bca4576-84f4-4d90-8ffe-ffa030f20462"
 Setfield = "efcf1570-3423-57d1-acb7-fd33fddbac46"
-SimpleChains = "de6bee2f-e2f4-4ec7-b6ed-219cc6f6e9e5"
 SimpleNonlinearSolve = "727e6d20-b764-4bd8-a329-72de5adea6c7"
 StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 
 [compat]
-julia = "1.6"
+Adapt = "4.3"
+DiffEqGPU = "3.4"
+Enzyme = "<0.13.35"
+ForwardDiff = "0.10"
+KernelAbstractions = "<0.9.30"
+Optimization = "4.1"
+QuasiMonteCarlo = "0.3"
+Reexport = "1.2"
+SciMLBase = "2.79"
+Setfield = "1.1"
+SimpleNonlinearSolve = "2.2"
+StaticArrays = "1.9"
+julia = "1.10"
diff --git a/benchmarks/CPU_vs_GPU/benchmark.jl b/benchmarks/CPU_vs_GPU/benchmark.jl
@@ -9,7 +9,11 @@ device!(2)
 
 N = 10
 function rosenbrock(x, p)
-    sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+    res = zero(eltype(x))
+    for i in 1:(length(x) - 1)
+        res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+    end
+    res
 end
 x0 = @SArray zeros(Float32, N)
 p = @SArray Float32[1.0, 100.0]
diff --git a/benchmarks/CPU_vs_GPU/wp_algs.jl b/benchmarks/CPU_vs_GPU/wp_algs.jl
@@ -9,7 +9,11 @@ device!(2)
 
 N = 10
 function rosenbrock(x, p)
-    sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+    res = zero(eltype(x))
+    for i in 1:(length(x) - 1)
+        res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+    end
+    res
 end
 # x0 = @SArray zeros(Float32, N)
 
diff --git a/src/PSOGPU.jl b/src/PSOGPU.jl
@@ -4,7 +4,7 @@ using SciMLBase, StaticArrays, Setfield, KernelAbstractions
 using QuasiMonteCarlo, Optimization, SimpleNonlinearSolve, ForwardDiff
 import Adapt
 import Adapt: adapt
-import Enzyme: autodiff_deferred, Active, Reverse
+import Enzyme: autodiff_deferred, Active, Reverse, Const
 import KernelAbstractions: @atomic, @atomicreplace, @atomicswap
 using QuasiMonteCarlo
 import DiffEqGPU: GPUTsit5, make_prob_compatible, vectorized_solve, vectorized_asolve
diff --git a/src/hybrid.jl b/src/hybrid.jl
@@ -2,7 +2,7 @@
     i = @index(Global, Linear)
     nlcache = remake(nlprob; u0 = x0s[i])
     sol = solve(nlcache, opt; maxiters, abstol, reltol)
-    result[i] = sol.u
+    @inbounds result[i] = sol.u
 end
 
 function SciMLBase.solve!(
@@ -19,13 +19,14 @@ function SciMLBase.solve!(
     backend = opt.backend
 
     prob = remake(cache.prob, lb = nothing, ub = nothing)
-    f = Base.Fix2(prob.f.f, prob.p)
-    ∇f = instantiate_gradient(f, prob.f.adtype)
 
-    kernel = simplebfgs_run!(backend)
     result = cache.start_points
     copyto!(result, x0s)
-    nlprob = NonlinearProblem{false}(∇f, prob.u0)
+
+    ∇f = instantiate_gradient(prob.f.f, prob.f.adtype)
+
+    kernel = simplebfgs_run!(backend)
+    nlprob = SimpleNonlinearSolve.ImmutableNonlinearProblem{false}(∇f, prob.u0, prob.p)
 
     nlalg = LocalOpt isa LBFGS ?
             SimpleLimitedMemoryBroyden(;
diff --git a/src/utils.jl b/src/utils.jl
@@ -1,3 +1,8 @@
+import SciMLBase: @add_kwonly, AbstractNonlinearProblem, AbstractNonlinearFunction,
+                  AbstractODEFunction, AbstractODEProblem, warn_paramtype, ConstructionBase,
+                  NullParameters, StandardNonlinearProblem, @reset, updated_u0_p,
+                  remake_initialization_data, maybe_eager_initialize_problem
+
 @inbounds function uniform_itr(
         dim::Int, lb::AbstractArray{T}, ub::AbstractArray{T}) where {T}
     (rand(T) * (ub[i] - lb[i]) + lb[i] for i in 1:dim)
@@ -342,10 +347,12 @@ Based on the paper: Particle swarm optimization method for constrained optimizat
     penalty
 end
 
+#TODO: Possible migration to DifferentiationInterface.jl,
+# however I cannot compile GPU-compatible gradients with Enzyme as Mar 2025
 @inline function instantiate_gradient(f, adtype::AutoForwardDiff)
-    (θ, p) -> ForwardDiff.gradient(f, θ)
+    (θ, p) -> ForwardDiff.gradient(x -> f(x, p), θ)
 end
 
 @inline function instantiate_gradient(f, adtype::AutoEnzyme)
-    (θ, p) -> autodiff_deferred(Reverse, f, Active, Active(θ))[1][1]
+    (θ, p) -> autodiff_deferred(Reverse, Const(x -> f(x, p)), Active, Active(θ))[1][1]
 end
diff --git a/test/Project.toml b/test/Project.toml
@@ -1,5 +1,4 @@
 [deps]
-CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"
 KernelAbstractions = "63c18a36-062a-441e-b654-da1e3ab1ce7c"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 Optimization = "7f7a1694-90dd-40f0-9382-eb1efda571ba"
diff --git a/test/constraints.jl b/test/constraints.jl
@@ -1,14 +1,6 @@
 using PSOGPU, StaticArrays, SciMLBase, Test, LinearAlgebra, Random
 
-DEVICE = get(ENV, "GROUP", "CUDA")
-
-@eval using $(Symbol(DEVICE))
-
-if DEVICE == "CUDA"
-    backend = CUDABackend()
-elseif DEVICE == "AMDGPU"
-    backend = ROCBackend()
-end
+include("./utils.jl")
 
 Random.seed!(1234)
 
diff --git a/test/gpu.jl b/test/gpu.jl
@@ -1,14 +1,6 @@
 using PSOGPU, StaticArrays, SciMLBase, Test, LinearAlgebra, Random
 
-DEVICE = get(ENV, "GROUP", "CUDA")
-
-@eval using $(Symbol(DEVICE))
-
-if DEVICE == "CUDA"
-    backend = CUDABackend()
-elseif DEVICE == "AMDGPU"
-    backend = ROCBackend()
-end
+include("./utils.jl")
 
 @testset "Rosenbrock GPU tests $(N)" for N in 2:4
     Random.seed!(1234)
@@ -19,7 +11,11 @@ end
     ub = @SArray fill(Float32(10.0), N)
 
     function rosenbrock(x, p)
-        sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+        res = zero(eltype(x))
+        for i in 1:(length(x) - 1)
+            res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+        end
+        res
     end
 
     x0 = @SArray zeros(Float32, N)
diff --git a/test/lbfgs.jl b/test/lbfgs.jl
@@ -1,14 +1,6 @@
 using PSOGPU, Optimization, StaticArrays
 
-DEVICE = get(ENV, "GROUP", "CUDA")
-
-@eval using $(Symbol(DEVICE))
-
-if DEVICE == "CUDA"
-    backend = CUDABackend()
-elseif DEVICE == "AMDGPU"
-    backend = ROCBackend()
-end
+include("./utils.jl")
 
 function objf(x, p)
     return 1 - x[1]^2 - x[2]^2
@@ -25,7 +17,11 @@ sol = Optimization.solve(prob,
 
 N = 10
 function rosenbrock(x, p)
-    sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+    res = zero(eltype(x))
+    for i in 1:(length(x) - 1)
+        res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+    end
+    res
 end
 x0 = @SArray rand(Float32, N)
 p = @SArray Float32[1.0, 100.0]
diff --git a/test/regression.jl b/test/regression.jl
@@ -9,7 +9,11 @@ using QuasiMonteCarlo
     ub = @SArray fill(Float32(10.0), N)
 
     function rosenbrock(x, p)
-        sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+        res = zero(eltype(x))
+        for i in 1:(length(x) - 1)
+            res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+        end
+        res
     end
 
     x0 = @SArray zeros(Float32, N)
@@ -157,7 +161,11 @@ end
     ub = @SArray fill(Float32(10.0), N)
 
     function rosenbrock(x, p)
-        sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+        res = zero(eltype(x))
+        for i in 1:(length(x) - 1)
+            res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+        end
+        res
     end
 
     x0 = @SArray zeros(Float32, N)
diff --git a/test/reinit.jl b/test/reinit.jl
@@ -7,9 +7,12 @@ lb = @SArray fill(Float32(-1.0), 3)
 ub = @SArray fill(Float32(10.0), 3)
 
 function rosenbrock(x, p)
-    sum(p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2 for i in 1:(length(x) - 1))
+    res = zero(eltype(x))
+    for i in 1:(length(x) - 1)
+        res += p[2] * (x[i + 1] - x[i]^2)^2 + (p[1] - x[i])^2
+    end
+    res
 end
-
 x0 = @SArray zeros(Float32, 3)
 p = @SArray Float32[1.0, 100.0]
 
@@ -25,10 +28,10 @@ cache = init(prob, ParallelSyncPSOKernel(n_particles; backend = CPU()))
 
 reinit!(cache)
 
-cache = init(prob, PSOGPU.HybridPSO(; local_opt = PSOGPU.BFGS(), backend = backend))
+cache = init(prob, PSOGPU.HybridPSO(; local_opt = PSOGPU.BFGS(), backend = CPU()))
 
 reinit!(cache)
 
-cache = init(prob, PSOGPU.HybridPSO(; local_opt = PSOGPU.LBFGS(), backend = backend))
+cache = init(prob, PSOGPU.HybridPSO(; local_opt = PSOGPU.LBFGS(), backend = CPU()))
 
 reinit!(cache)
diff --git a/test/runtests.jl b/test/runtests.jl
@@ -1,12 +1,15 @@
 using SafeTestsets
 using Test
 
-const GROUP = get(ENV, "GROUP", "CPU")
+global CI_GROUP = get(ENV, "GROUP", "CPU")
 
 @safetestset "Regression tests" include("./regression.jl")
+@safetestset "Reinitialization tests" include("./reinit.jl")
 
-if GROUP != "CPU"
-    @safetestset "GPU optimizers tests" include("./gpu.jl")
-    @safetestset "GPU optimizers with constraints tests" include("./constraints.jl")
-    @safetestset "GPU hybrid optimizers" include("./lbfgs.jl")
+#TODO: Curent throws warning for redefinition with the use of @testset multiple times. Migrate to TestItemRunners.jl
+@testset for BACKEND in unique(("CPU", CI_GROUP))
+    global GROUP = BACKEND
+    @testset "$(BACKEND) optimizers tests" include("./gpu.jl")
+    @testset "$(BACKEND) optimizers with constraints tests" include("./constraints.jl")
+    @testset "$(BACKEND) hybrid optimizers" include("./lbfgs.jl")
 end
diff --git a/test/utils.jl b/test/utils.jl
@@ -0,0 +1,10 @@
+global backend = if GROUP == "CUDA"
+    using CUDA
+    CUDA.CUDABackend()
+elseif GROUP == "AMDGPU"
+    using AMDGPU
+    AMDGPU.ROCBackend()
+else
+    using KernelAbstractions
+    backend = CPU()
+end

Original file line number	Diff line number	Diff line change
`@@ -1,5 +1,4 @@`
`1`	`1`	`[deps]`
`2`		`-CUDA = "052768ef-5323-5732-b1bb-66c8b64840ba"`
`3`	`2`	`KernelAbstractions = "63c18a36-062a-441e-b654-da1e3ab1ce7c"`
`4`	`3`	`LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"`
`5`	`4`	`Optimization = "7f7a1694-90dd-40f0-9382-eb1efda571ba"`