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Big docs update #248

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1 change: 1 addition & 0 deletions docs/Project.toml
Original file line number Diff line number Diff line change
Expand Up @@ -5,6 +5,7 @@ BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"
Documenter = "e30172f5-a6a5-5a46-863b-614d45cd2de4"
IncompleteLU = "40713840-3770-5561-ab4c-a76e7d0d7895"
LinearSolve = "7ed4a6bd-45f5-4d41-b270-4a48e9bafcae"
ModelingToolkit = "961ee093-0014-501f-94e3-6117800e7a78"
NonlinearSolve = "8913a72c-1f9b-4ce2-8d82-65094dcecaec"
NonlinearSolveMINPACK = "c100e077-885d-495a-a2ea-599e143bf69d"
SciMLNLSolve = "e9a6253c-8580-4d32-9898-8661bb511710"
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8 changes: 5 additions & 3 deletions docs/pages.jl
Original file line number Diff line number Diff line change
@@ -1,9 +1,11 @@
# Put in a separate page so it can be used by SciMLDocs.jl

pages = ["index.md",
"tutorials/getting_started.md",
"Tutorials" => Any["tutorials/code_optimization.md",
"tutorials/large_systems.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/small_compile.md",
"tutorials/termination_conditions.md",
"tutorials/iterator_interface.md"],
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151 changes: 133 additions & 18 deletions docs/src/tutorials/code_optimization.md
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@@ -1,6 +1,6 @@
# [Code Optimization for Solving Nonlinear Systems](@id code_optimization)
# [Code Optimization for Small Nonlinear Systems in Julia](@id code_optimization)

## Code Optimization in Julia
## General Code Optimization in Julia

Before starting this tutorial, we recommend the reader to check out one of the
many tutorials for optimization Julia code. The following is an incomplete
Expand Down Expand Up @@ -29,30 +29,145 @@ Let's start with small systems.

## Optimizing Nonlinear Solver Code for Small Systems

```@example
using NonlinearSolve, StaticArrays
Take for example a prototypical small nonlinear solver code in its out-of-place form:

f(u, p) = u .* u .- p
u0 = @SVector[1.0, 1.0]
```@example small_opt
using NonlinearSolve

function f(u, p)
u .* u .- p
end
u0 = [1.0, 1.0]
p = 2.0
probN = NonlinearProblem(f, u0, p)
sol = solve(probN, NewtonRaphson(), reltol = 1e-9)
prob = NonlinearProblem(f, u0, p)
sol = solve(prob, NewtonRaphson())
```

## Using Jacobian Free Newton Krylov (JNFK) Methods
We can use BenchmarkTools.jl to get more precise timings:

If we want to solve the first example, without constructing the entire Jacobian
```@example small_opt
using BenchmarkTools

@btime solve(prob, NewtonRaphson())
```

```@example
using NonlinearSolve, LinearSolve
Note that this way of writing the function is a shorthand for:

function f!(res, u, p)
@. res = u * u - p
```@example small_opt
function f(u, p)
[u[1] * u[1] - p, u[2] * u[2] - p]
end
u0 = [1.0, 1.0]
```

where the function `f` returns an array. This is a common pattern from things like MATLAB's `fzero`
or SciPy's `scipy.optimize.fsolve`. However, by design it's very slow. I nthe benchmark you can see
that there are many allocations. These allocations cause the memory allocator to take more time
than the actual numerics itself, which is one of the reasons why codes from MATLAB and Python end up
slow.

In order to avoid this issue, we can use a non-allocating "in-place" approach. Written out by hand,
this looks like:

```@example small_opt
function f(du, u, p)
du[1] = u[1] * u[1] - p
du[2] = u[2] * u[2] - p
nothing
end

prob = NonlinearProblem(f, u0, p)
@btime sol = solve(prob, NewtonRaphson())
```

Notice how much faster this already runs! We can make this code even simpler by using
the `.=` in-place broadcasting.

```@example small_opt
function f(du, u, p)
du .= u .* u .- p
end

@btime sol = solve(prob, NewtonRaphson())
```

## Further Optimizations for Small Nonlinear Solves with Static Arrays and SimpleNonlinearSolve

Allocations are only expensive if they are “heap allocations”. For a more
in-depth definition of heap allocations,
[there are many sources online](http://net-informations.com/faq/net/stack-heap.htm).
But a good working definition is that heap allocations are variable-sized slabs
of memory which have to be pointed to, and this pointer indirection costs time.
Additionally, the heap has to be managed, and the garbage controllers has to
actively keep track of what's on the heap.

However, there's an alternative to heap allocations, known as stack allocations.
The stack is statically-sized (known at compile time) and thus its accesses are
quick. Additionally, the exact block of memory is known in advance by the
compiler, and thus re-using the memory is cheap. This means that allocating on
the stack has essentially no cost!

Arrays have to be heap allocated because their size (and thus the amount of
memory they take up) is determined at runtime. But there are structures in
Julia which are stack-allocated. `struct`s for example are stack-allocated
“value-type”s. `Tuple`s are a stack-allocated collection. The most useful data
structure for NonlinearSolve though is the `StaticArray` from the package
[StaticArrays.jl](https://github.com/JuliaArrays/StaticArrays.jl). These arrays
have their length determined at compile-time. They are created using macros
attached to normal array expressions, for example:

```@example small_opt
using StaticArrays
A = SA[2.0, 3.0, 5.0]
typeof(A) # SVector{3, Float64} (alias for SArray{Tuple{3}, Float64, 1, 3})
```

Notice that the `3` after `SVector` gives the size of the `SVector`. It cannot
be changed. Additionally, `SVector`s are immutable, so we have to create a new
`SVector` to change values. But remember, we don't have to worry about
allocations because this data structure is stack-allocated. `SArray`s have
numerous extra optimizations as well: they have fast matrix multiplication,
fast QR factorizations, etc. which directly make use of the information about
the size of the array. Thus, when possible, they should be used.

Unfortunately, static arrays can only be used for sufficiently small arrays.
After a certain size, they are forced to heap allocate after some instructions
and their compile time balloons. Thus, static arrays shouldn't be used if your
system has more than ~20 variables. Additionally, only the native Julia
algorithms can fully utilize static arrays.

Let's ***optimize our nonlinear solve using static arrays***. Note that in this case, we
want to use the out-of-place allocating form, but this time we want to output
a static array. Doing it with broadcasting looks like:

```@example small_opt
function f_SA(u, p)
u .* u .- p
end
u0 = SA[1.0, 1.0]
p = 2.0
prob = NonlinearProblem(f!, u0, p)
prob = NonlinearProblem(f_SA, u0, p)
@btime solve(prob, NewtonRaphson())
```

Note that only change here is that `u0` is made into a StaticArray! If we needed to write `f` out
for a more complex nonlinear case, then we'd simply do the following:

```@example small_opt
function f_SA(u, p)
SA[u[1] * u[1] - p, u[2] * u[2] - p]
end

linsolve = LinearSolve.KrylovJL_GMRES()
sol = solve(prob, NewtonRaphson(; linsolve), reltol = 1e-9)
@btime solve(prob, NewtonRaphson())
```

However, notice that this did not give us a speedup but rather a slowdown. This is because many of the
methods in NonlinearSolve.jl are designed to scale to larger problems, and thus aggressively do things
like caching which is good for large problems but not good for these smaller problems and static arrays.
In order to see the full benefit, we need to move to one of the methods from SimpleNonlinearSolve.jl
which are designed for these small-scale static examples. Let's now use `SimpleNewtonRaphson`:

```@example small_opt
@btime solve(prob, SimpleNewtonRaphson())
```

And there we go, around 100ns from our starting point of almost 6μs!
11 changes: 8 additions & 3 deletions docs/src/tutorials/large_systems.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,9 @@
# [Solving Large Ill-Conditioned Nonlinear Systems with NonlinearSolve.jl](@id large_systems)
# [Efficiently Solving Large Sparse Ill-Conditioned Nonlinear Systems in Julia](@id large_systems)

This tutorial is for getting into the extra features of using NonlinearSolve.jl. Solving ill-conditioned nonlinear systems requires specializing the linear solver on properties of the Jacobian in order to cut down on the ``\mathcal{O}(n^3)`` linear solve and the ``\mathcal{O}(n^2)`` back-solves. This tutorial is designed to explain the advanced usage of NonlinearSolve.jl by solving the steady state stiff Brusselator partial differential equation (BRUSS) using NonlinearSolve.jl.
This tutorial is for getting into the extra features of using NonlinearSolve.jl. Solving ill-conditioned nonlinear systems
requires specializing the linear solver on properties of the Jacobian in order to cut down on the ``\mathcal{O}(n^3)``
linear solve and the ``\mathcal{O}(n^2)`` back-solves. This tutorial is designed to explain the advanced usage of
NonlinearSolve.jl by solving the steady state stiff Brusselator partial differential equation (BRUSS) using NonlinearSolve.jl.

## Definition of the Brusselator Equation

Expand Down Expand Up @@ -179,7 +182,9 @@ nothing # hide

Notice that this acceleration does not require the definition of a sparsity
pattern, and can thus be an easier way to scale for large problems. For more
information on linear solver choices, see the [linear solver documentation](https://docs.sciml.ai/DiffEqDocs/stable/features/linear_nonlinear/#linear_nonlinear). `linsolve` choices are any valid [LinearSolve.jl](https://linearsolve.sciml.ai/dev/) solver.
information on linear solver choices, see the
[linear solver documentation](https://docs.sciml.ai/DiffEqDocs/stable/features/linear_nonlinear/#linear_nonlinear).
`linsolve` choices are any valid [LinearSolve.jl](https://linearsolve.sciml.ai/dev/) solver.

!!! note

Expand Down
123 changes: 123 additions & 0 deletions docs/src/tutorials/modelingtoolkit.md
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@@ -0,0 +1,123 @@
# [Symbolic Nonlinear System Definition and Acceleration via ModelingToolkit](@id modelingtoolkit)

[ModelingToolkit.jl](https://docs.sciml.ai/ModelingToolkit/dev/) is a symbolic-numeric modeling system
for the Julia SciML ecosystem. It adds a high-level interactive interface for the numerical solvers
which can make it easy to symbolically modify and generate equations to be solved. The basic form of
using ModelingToolkit looks as follows:

```@example mtk
using ModelingToolkit, NonlinearSolve

@variables x y z
@parameters σ ρ β

# Define a nonlinear system
eqs = [0 ~ σ * (y - x),
0 ~ x * (ρ - z) - y,
0 ~ x * y - β * z]
@named ns = NonlinearSystem(eqs, [x, y, z], [σ, ρ, β])

u0 = [x => 1.0,
y => 0.0,
z => 0.0]

ps = [σ => 10.0
ρ => 26.0
β => 8 / 3]

prob = NonlinearProblem(ns, u0, ps)
sol = solve(prob, NewtonRaphson())
```

## Symbolic Derivations of Extra Functions

As a symbolic system, ModelingToolkit can be used to represent the equations and derive new forms. For example,
let's look at the equations:

```@example mtk
equations(ns)
```

We can ask it what the Jacobian of our system is via `calculate_jacobian`:

```@example mtk
calculate_jacobian(ns)
```

We can tell MTK to generate a computable form of this analytical Jacobian via `jac = true` to help the solver
use efficient forms:

```@example mtk
prob = NonlinearProblem(ns, u0, ps, jac = true)
sol = solve(prob, NewtonRaphson())
```

## Symbolic Simplification of Nonlinear Systems via Tearing

One of the major reasons for using ModelingToolkit is to allow structural simplification of the systems. It's very
easy to write down a mathematical model that, in theory, could be solved more simply. Let's take a look at a quick
system:

```@example mtk
@variables u1 u2 u3 u4 u5
eqs = [
0 ~ u1 - sin(u5),
0 ~ u2 - cos(u1),
0 ~ u3 - hypot(u1, u2),
0 ~ u4 - hypot(u2, u3),
0 ~ u5 - hypot(u4, u1),
]
@named sys = NonlinearSystem(eqs, [u1, u2, u3, u4, u5], [])
```

If we run structural simplification, we receive the following form:

```@example mtk
sys = structural_simplify(sys)
```

```@example mtk
equations(sys)
```

How did it do this? Let's look at the `observed` to see the relationships that it found:

```@example mtk
observed(sys)
```

Using ModelingToolkit, we can build and solve the simplified system:

```@example mtk
u0 = [u5 .=> 1.0]
prob = NonlinearProblem(sys, u0)
sol = solve(prob, NewtonRaphson())
```

We can then use symbolic indexing to retrieve any variable:

```@example mtk
sol[u1]
```

```@example mtk
sol[u2]
```

```@example mtk
sol[u3]
```

```@example mtk
sol[u4]
```

```@example mtk
sol[u5]
```

## Component-Based and Acausal Modeling

If you're interested in building models in a component or block based form, such as seen in systems like Simulink or Modelica,
take a deeper look at [ModelingToolkit.jl's documentation](https://docs.sciml.ai/ModelingToolkit/stable/) which goes into
detail on such features.
53 changes: 52 additions & 1 deletion docs/src/tutorials/small_compile.md
Original file line number Diff line number Diff line change
@@ -1,3 +1,54 @@
# Faster Startup and and Static Compilation

This is a stub article to be completed soon.
In many instances one may want a very lightweight version of NonlinearSolve.jl. For this case there
exists the solver package SimpleNonlinearSolve.jl. SimpleNonlinearSolve.jl solvers all satisfy the
same interface as NonlinearSolve.jl, but they are designed to be simpler, lightweight, and thus
have a faster startup time. Everything that can be done with NonlinearSolve.jl can be done with
SimpleNonlinearSolve.jl. Thus for example, we can solve the core tutorial problem with just SimpleNonlinearSolve.jl
as follows:

```@example simple
using SimpleNonlinearSolve

f(u, p) = u .* u .- p
u0 = [1.0, 1.0]
p = 2.0
prob = NonlinearProblem(f, u0, p)
sol = solve(prob, SimpleNewtonRaphson())
```

However, there are a few downsides to SimpleNonlinearSolve's `SimpleX` style algorithms to note:

1. SimpleNonlinearSolve.jl's methods are not hooked into the LinearSolve.jl system, and thus do not have
the ability to specify linear solvers, use sparse matrices, preconditioners, and all of the other features
which are required to scale for very large systems of equations.
2. SimpleNonlinearSolve.jl's methods have less robust error handling and termination conditions, and thus
these methods are missing some flexibility and give worse hints for debugging.
3. SimpleNonlinearSolve.jl's methods are focused on out-of-place support. There is some in-place support,
but it's designed for simple smaller systems and so some optimizations are missing.

However, the major upsides of SimpleNonlinearSolve.jl are:

1. The methods are optimized and non-allocating on StaticArrays
2. The methods are minimal in compilation

As such, you can use the code as shown above to have very low startup with good methods, but for more scaling and debuggability
we recommend the full NonlinearSolve.jl. But that said,

```@example simple
using StaticArrays

u0 = SA[1.0, 1.0]
p = 2.0
prob = NonlinearProblem(f, u0, p)
sol = solve(prob, SimpleNewtonRaphson())
```

using StaticArrays.jl is also the fastest form for small equations, so if you know your system is small then SimpleNonlinearSolve.jl
is not only sufficient but optimal.

## Static Compilation

Julia has tools for building small binaries via static compilation with [StaticCompiler.jl](https://github.com/tshort/StaticCompiler.jl).
However, these tools are currently limited to type-stable non-allocating functions. That said, SimpleNonlinearSolve.jl's solvers are
precisely the subset of NonlinearSolve.jl which are compatible with static compilation.
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