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Time dependence in a non-autonomous linear ODE problem does not appear to propagate correctly to the solver #2661

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ultimatile opened this issue Apr 3, 2025 · 5 comments
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@ultimatile
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ultimatile commented Apr 3, 2025

Describe the bug 🐞
To define time-dependent ODE problems for Non-autonomous Linear ODE / Lie Group Problems, MatrixOperator is used.
The update_func keyword argument of MatrixOperator specifies the time dependence of the ODE problem.

However, even when update_func is provided, the resulting numerical solution does not appear to reflect the time dependence of the ODE problem.
The computed result was the same as without update_func.

Expected behavior
The computed results should differ between cases with and without update_func specified.

Minimal Reproducible Example 👇

using OrdinaryDiffEqLinear
using Plots

alpha = 0.1; t0 = 0.0; t1 = 1.0; dt = 0.01
tspan = (t0, t1) 
u0 = ones(2) # initial condition
A0 = [0.0 1.0; 0.0 0.0] # time-independent part

function update_func(A, u, p, t)
    A[1, 2] = -alpha * t 
    A[2, 1] = alpha * t
end

# with update_func
prob = ODEProblem(MatrixOperator(A0; update_func), u0, tspan)
sol = solve(prob, MagnusGL8(); dt)
plot(sol, label=["u[1] w/ update_func" "u[2] w/ update_func"])

# without update_func
prob = ODEProblem(MatrixOperator(A0), u0, tspan)
sol = solve(prob, MagnusGL8(); dt)
plot!(sol, label=["u[1] w/o update_func" "u[2] w/o update_func"], color=[:lightblue :orange], alpha=0.8, linestyle=:dash, lw=3)
Image

Different behavior is expected between the solid and dashed lines.


Environment (please complete the following information):
  • Output of using Pkg; Pkg.status()
Status `/path/to/project/Project.toml`
  [521117fe] OrdinaryDiffEqLinear v1.1.0
  [91a5bcdd] Plots v1.40.11
  • Output of using Pkg; Pkg.status(; mode = PKGMODE_MANIFEST)
Status `/path/to/project/Manifest.toml`
  [47edcb42] ADTypes v1.14.0
  [7d9f7c33] Accessors v0.1.42
  [79e6a3ab] Adapt v4.3.0
  [66dad0bd] AliasTables v1.1.3
  [4fba245c] ArrayInterface v7.18.0
  [d1d4a3ce] BitFlags v0.1.9
  [62783981] BitTwiddlingConvenienceFunctions v0.1.6
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  [fb6a15b2] CloseOpenIntervals v0.1.13
  [944b1d66] CodecZlib v0.7.8
  [35d6a980] ColorSchemes v3.29.0
  [3da002f7] ColorTypes v0.12.1
  [c3611d14] ColorVectorSpace v0.11.0
  [5ae59095] Colors v0.13.0
  [38540f10] CommonSolve v0.2.4
  [f70d9fcc] CommonWorldInvalidations v1.0.0
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Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m`
  • Output of versioninfo()
Julia Version 1.11.4
Commit 8561cc3d68d (2025-03-10 11:36 UTC)
Build Info:
  Official https://julialang.org/ release
Platform Info:
  OS: macOS (arm64-apple-darwin24.0.0)
  CPU: 10 × Apple M1 Max
  WORD_SIZE: 64
  LLVM: libLLVM-16.0.6 (ORCJIT, apple-m1)
Threads: 1 default, 0 interactive, 1 GC (on 8 virtual cores)
Environment:
  DYLD_FALLBACK_LIBRARY_PATH = /Users/USERNAME/.julia/artifacts/c1600fa286afe4bf3616780a19b65285c63968ca/lib:/Users/USERNAME/.julia/artifacts/b820a0a437e8501d06a17439abd84feaa5b6cca3/lib:/Users/USERNAME/.julia/artifacts/5b90ad21b4b1af3a9446241fb5afe3e3b3eda941/lib:/Users/USERNAME/.julia/juliaup/julia-1.11.4+0.aarch64.apple.darwin14/lib/julia:/Users/USERNAME/.julia/artifacts/c99c0e2b61a41b4b2294b30e9f7f26e50c2e38eb/lib:/Users/USERNAME/.julia/artifacts/9410bad2635eda2239b4a72ba4316c4aa8f5b76e/lib:/Users/USERNAME/.julia/artifacts/3b568c51fbf75bfe59ac69d26b176034fdd63ebb/lib:/Users/USERNAME/.julia/artifacts/21209a2ac399ce693d73daf1aa8d670fbc84d70f/lib:/Users/USERNAME/.julia/artifacts/c59059ef20910985e15a497e3f3f9f5a01df2645/lib:/Users/USERNAME/.julia/artifacts/38c2ea0f23a62cc587d9939b8338d89cc961ea34/lib:/Users/USERNAME/.julia/artifacts/365365262519d2f165f6ca9bdc0f104718889a88/lib:/Users/USERNAME/.julia/artifacts/becfd6f89f1a272ace2375b067f1153515ca70b3/lib:/Users/USERNAME/.julia/artifacts/f00ec04851ced5895bd99297d49916ba59ca783d/lib:/Users/USERNAME/.julia/artifacts/6ebc40d37ee48f23c8a0edb94c2f1a8622edba3a/lib:/Users/USERNAME/.julia/artifacts/1994697285dfe8747ff7ec6927666edc88750202/lib:/Users/USERNAME/.julia/artifacts/c5d5b7c7e77b04af2eabde40ebbf379932d8bfd7/lib:/Users/USERNAME/.julia/artifacts/81e1d2f3a1459f121eaae539b9549e9e740a6c62/lib:/Users/USERNAME/.julia/artifacts/a3e73ecf5d803bb3792a23f0382a2b5573383647/lib:/Users/USERNAME/.julia/artifacts/67723a86975c82b43f01cda306999b382d3435f0/lib:/Users/USERNAME/.julia/artifacts/115f3a18328d7b88e31c9e3f095aeb12eb381710/lib:/Users/USERNAME/.julia/artifacts/ca2831bf6edc5088aec5b329ea98364951d6cad0/lib:/Users/USERNAME/.julia/artifacts/477447566a69a531a7a3f8e0130cbfe460b37eec/lib:/Users/USERNAME/.julia/artifacts/b58891667c46c467bd51be0e963c1ef1f0314934/lib:/Users/USERNAME/.julia/artifacts/0db9c3f6cf936a0da49e2ba954ba3e10bed6ad72/lib:/Users/USERNAME/.julia/artifacts/1a7e22e66b523d9cb884cf85c3ec065b5fb3e5c3/lib:/Users/USERNAME/.julia/artifacts/638182c11b24bfb41187d67770f2bee17fb08c74/lib:/Users/USERNAME/.julia/artifacts/83ff444c229f9dd64a13999123a4eb14e632d67a/lib:/Users/USERNAME/.julia/artifacts/6095fcd268ea712c0f786f5ff1a45bf0eb7b005e/lib:/Users/USERNAME/.julia/artifacts/7ead0a440ba045155db235bff6602a984f08a651/lib:/Users/USERNAME/.julia/artifacts/9d8a957aa3387b17b8639251016c87710db1a175/lib:/Users/USERNAME/.julia/artifacts/63d48e4aab8721470f588bdeb1e2b462ee3b6a68/lib:/Users/USERNAME/.julia/artifacts/b7801db3b1dfdd7e22586e15fd2fcd146c1ad1d9/lib:/Users/USERNAME/.julia/artifacts/8da603395acfbdbef8c5de3b7223aeb9276ecbdb/lib:/Users/USERNAME/.julia/artifacts/

Additional context
This is forwarded from this post. Please refer to the original post for more details on the ODE problem presented in this issue.

@ultimatile
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Replacing update_func with update_func! appears to yield the expected behavior.

9c9
< function update_func(A, u, p, t)
---
> function update_func!(A, u, p, t)
15c15
< prob = ODEProblem(MatrixOperator(A0; update_func), u0, tspan)
---
> prob = ODEProblem(MatrixOperator(A0; update_func!), u0, tspan)

Image

Could this be a documentation issue rather than a bug?


I don't know how it affects the results, but the order of solves has changed the results without update_func (dashed lines).
By first executing without update_func, the following figure was obtained and the behavior was completely as expected

Image

@ChrisRackauckas
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Member

Oh I see. Yeah... well we should check to make sure the right update func is defined and give a better error message, since that's a bit tricky. But yes, it seems like OrdinaryDiffEq is working in the sense that if you give it the right function it will do it, but what we should do is that if update_func is defined and update_func! is not, but you're using an in-place solve, we should error saying that we need update_func!. That would just be a better user experience. So let's keep this open to add that erroring.

@angerpointnerd
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Could it be that there is still something wrong with the out-of-place update_func though?

Here is an example, slightly modified from the one above, where the two versions (update_func vs update_func!) give different results (unless I've missed something):

using Pkg; Pkg.activate(@__DIR__)
using OrdinaryDiffEq
using Plots

α = 0.1
t0 = 0.0
t1 = 10.0
dt = 0.01

p = (; α)
tspan = (t0, t1) 
u0 = ones(2)
A0 = zeros(2, 2)

function update_func!(A, u, p, t)
    A[1, 2] = - p.α * t
    A[2, 1] = p.α * t
    return nothing
end

function update_func(A, u, p, t)
    newA = zero(2,2)
    update_func!(newA, u, p, t)
    return newA
end

F(p, t, t0) =  p.α * (t^2 - t0^2) / 2
function analytic_solution(u0, p, t, t0)
    u1 = cos(F(p, t, t0)) * u0[1] - sin(F(p, t, t0)) * u0[2]
    u2 = sin(F(p, t, t0)) * u0[1] + cos(F(p, t, t0)) * u0[2]
    return [u1, u2]
end

analytic_solution_matrix(times, u0, p, t0) =  reduce(hcat, (t -> analytic_solution(u0, p, t, t0)).(times)) |> permutedims

function solve_and_plot(matrixOp, u0, tspan, p; plotKwargs...)
    prob = ODEProblem(matrixOp, u0, tspan, p)
    sol = solve(prob, MagnusGL8(); dt)

    plot(sol; label=["u[1] (magnus)" "u[2] (magnus)"], seriestype=:line, lw=7, opacity=0.3, plotKwargs...)
    plot!(sol.t, analytic_solution_matrix(sol.t, u0, p, t0); label=["u[1] (exact)" "u[2] (exact)"])
end

# In-place
A! = MatrixOperator(A0; update_func!)
p1 = solve_and_plot(A!, u0, tspan, p; title="in-place")

# Out-of-place
A = MatrixOperator(A0; update_func)
p2 = solve_and_plot(A, u0, tspan, p; title="out-of-place")

plot(p1, p2; size=(900, 400))
savefig("inplace_vs_outofplace.png")

Image

environment/versioninfo
julia> using Pkg; Pkg.status(; mode = PKGMODE_MANIFEST)
Status `~/Projects/test_matrix_operators/Manifest.toml`
  [47edcb42] ADTypes v1.14.0
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  [5ae59095] Colors v0.13.0
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  [bbf7d656] CommonSubexpressions v0.3.1
  [f70d9fcc] CommonWorldInvalidations v1.0.0
  [34da2185] Compat v4.16.0
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  [2569d6c7] ConcreteStructs v0.2.3
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⌅ [f6369f11] ForwardDiff v0.10.38
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⌃ [6ad6398a] OrdinaryDiffEqBDF v1.3.0
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⌃ [43230ef6] OrdinaryDiffEqRosenbrock v1.8.0
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Info Packages marked with ⌃ and ⌅ have new versions available. Those with ⌃ may be upgradable, but those with ⌅ are restricted by compatibility constraints from upgrading. To see why use `status --outdated -m`
julia> versioninfo()
Julia Version 1.10.8
Commit 4c16ff44be8 (2025-01-22 10:06 UTC)
Build Info:
  Official https://julialang.org/ release
Platform Info:
  OS: Linux (x86_64-linux-gnu)
  CPU: 64 × AMD Ryzen Threadripper PRO 3975WX 32-Cores
  WORD_SIZE: 64
  LIBM: libopenlibm
  LLVM: libLLVM-15.0.7 (ORCJIT, znver2)
Threads: 1 default, 0 interactive, 1 GC (on 64 virtual cores)
Environment:
  JULIA_PKG_USE_CLI_GIT = true
  JULIA_EDITOR = code
  JULIA_NUM_THREADS = 

(The Julia version is still 1.10.8, but I also tried fresh environments with 1.11.4 and the 1.12 beta with the same results)

@ChrisRackauckas
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Yeah something seems funky in the out of place one.

@angerpointnerd
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I tried to figure out what's going on and so far I think the out-of-place update_func is not actually used in the Magnus solvers.

Putting a

@show newA

in update_func from the above MWE indicates that the function is never actually called. Instead it will use the (constant) A0 with whatever values it had after running the solver with in-place update_func!. If I turn around the two solves, I get a different plot, because A0 was never updated by the in-place solver and we just get a constant solution (A0 = zeros(2,2), so the right-hand-side is just zero).

Image

At least from what I could see here
https://github.com/SciML/OrdinaryDiffEq.jl/blob/15007385d68ee0256ddb69a451cda083d75ad26b/lib/OrdinaryDiffEqLinear/src/linear_perform_step.jl
it seems that almost all solvers call an in-place update_coefficients!, which in turn calls update_func! in the MatrixOperator:
https://github.com/SciML/SciMLOperators.jl/blob/29ea228be466d841159c90bacfec89d686f51fdc/src/matrix.jl#L158-L166

There seems to be no "re-routing" of the function call between the in-place and out-of-place versions depending on which one was given. My idea would be to do some inspection on the provided update_func and update_func! in the constructor of MatrixOperator, such that update_coefficients! and update_coefficients always pick the one that is actually defined by the user, e.g.

  • if update_func is passed, an internal update_func! gets defined such that it updates the given cache by just writing the values from update_func to it (so it would still allocate, but have the right behavior)
  • if update_func! is passed, we define update_func to create a new array each time and call the passed update_func! on it
  • if both are passed by the user it should throw an error (which one should be picked?)
  • if neither are passed, we could either throw an error and suggest to define an "empty" update_func! (which I would prefer to be more explicit about what the user wants), or we keep the current behavior and assume A should stay constant, so both update_func[!] versions do nothing
  • all downstream code could then be left as is as (hopefully) both versions of update_func[!] should work and be consistent

I'd be happy to give it a try implementing a solution, but I'm not sure the idea above is the right way to go.

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