2022-09-12 Sparsity and solvers
Contents
2022-09-12 Sparsity and solvers#
Last time#
Advection and boundary layers
The (cell) Péclet number and oscillations
Godunov’s Theorem
Today#
Cost of linear solvers
Assemblying sparse matrices
Rootfinding and Newton’s method for systems
using Plots
default(linewidth=3)
using LinearAlgebra
function vander(x, k=nothing)
if k === nothing
k = length(x)
end
V = ones(length(x), k)
for j = 2:k
V[:, j] = V[:, j-1] .* x
end
V
end
function fdstencil(source, target, k)
"kth derivative stencil from source to target"
x = source .- target
V = vander(x)
rhs = zero(x)'
rhs[k+1] = factorial(k)
rhs / V
end
function my_spy(A)
cmax = norm(vec(A), Inf)
s = max(1, ceil(120 / size(A, 1)))
spy(A, marker=(:square, s), c=:diverging_rainbow_bgymr_45_85_c67_n256, clims=(-cmax, cmax))
end
function advdiff_conservative(n, kappa, wind, forcing)
x = LinRange(-1, 1, n)
xstag = (x[1:end-1] + x[2:end]) / 2
L = zeros(n, n)
rhs = forcing.(x)
kappa_stag = kappa.(xstag)
for i in 2:n-1
flux_L = -kappa_stag[i-1] * fdstencil(x[i-1:i], xstag[i-1], 1) + wind * [.5 .5]
flux_R = -kappa_stag[i] * fdstencil(x[i:i+1], xstag[i], 1) + wind * [.5 .5]
js = i-1:i+1
weights = fdstencil(xstag[i-1:i], x[i], 1)
L[i, i-1:i+1] = weights[1] * [flux_L..., 0] + weights[2] * [0, flux_R...]
end
L[1, 1] = 1
rhs[1] = 0
L[2:end, 1] .= 0
L[end,end] = 1
rhs[end] = 0
L[1:end-1,end] .= 0
x, L, rhs
end
advdiff_conservative (generic function with 1 method)
Experiments, The (cell) Péclet number#
n = 30; h = 2/n
kappa = .1
wind = 20
x, L, rhs = advdiff_conservative(n, x -> kappa, wind, one)
@show minimum(diff(x))
plot(x, L \ rhs, marker=:auto, legend=:none, title="\$Pe_h = $(wind*h/kappa)\$")
minimum(diff(x)) = 0.06896551724137923
function advdiff_upwind(n, kappa, wind, forcing)
x = LinRange(-1, 1, n)
xstag = (x[1:end-1] + x[2:end]) / 2
L = zeros(n, n)
rhs = forcing.(x)
kappa_stag = kappa.(xstag)
for i in 2:n-1
flux_L = -kappa_stag[i-1] * fdstencil(x[i-1:i], xstag[i-1], 1) +
wind * (wind > 0 ? [1 0] : [0 1])
flux_R = -kappa_stag[i] * fdstencil(x[i:i+1], xstag[i], 1) +
wind * (wind > 0 ? [1 0] : [0 1])
js = i-1:i+1
weights = fdstencil(xstag[i-1:i], x[i], 1)
L[i, i-1:i+1] = weights[1] * [flux_L..., 0] + weights[2] * [0, flux_R...]
end
L[1, 1] = 1
rhs[1] = 0
L[2:end, 1] .= 0
L[end,end] = 1
rhs[end] = 0
L[1:end-1,end] .= 0
x, L, rhs
end
advdiff_upwind (generic function with 1 method)
Upwinded discretization for robustness#
Idea: incoming advective flux should depend only on upwind value, outgoing should depend only on my value.
n = 30; h = 2/n
kappa = 1
wind = -1000
x, L, rhs = advdiff_upwind(n, x -> kappa, wind, one)
@show minimum(diff(x))
plot(x, L \ rhs, marker=:auto, legend=:none, title="\$Pe_h = $(wind*h/kappa)\$")
minimum(diff(x)) = 0.06896551724137923
What is the order of accuracy of the upwinded discretization?#
Godunov’s Theorem (1954)#
Linear numerical methods
For our purposes, monotonicity is equivalent to positivity preservation,
Discontinuities#
A numerical method for representing a discontinuous function on a stationary grid can be no better than first order accurate in the \(L^1\) norm,
In light of these two observations, we may still ask for numerical methods that are more than first order accurate for smooth solutions, but those methods must be nonlinear.
How expensive is \
?#
x, L, rhs = advdiff_upwind(5000, x -> kappa, wind, one)
@timev L \ rhs;
0.563120 seconds (6 allocations: 190.811 MiB, 2.09% gc time)
elapsed time (ns): 563120275
gc time (ns): 11746281
bytes allocated: 200080144
pool allocs: 3
non-pool GC allocs: 0
malloc() calls: 3
free() calls: 7
minor collections: 1
full collections: 0
function elapsed_solve(n)
x, L, rhs = advdiff_upwind(n, x -> kappa, wind, one)
@elapsed L \ rhs
end
ns = (1:6) * 1000
times = elapsed_solve.(ns)
6-element Vector{Float64}:
0.008687873
0.117921384
0.132839774
0.235501316
0.419815453
0.665765754
scatter(ns, times, xscale=:log10, yscale=:log10)
plot!(ns, [(ns/3000).^2, (ns/3000).^3], label=["n^2" "n^3"], xrange=(1e3, 1e4))
How long would \(n=10000\) take to solve?#
How much memory would \(n=10000\) take?#
Sparsity#
x, L, rhs = advdiff_upwind(100, one, 1, one)
my_spy(L)
using SparseArrays
sparse(L)
100×100 SparseMatrixCSC{Float64, Int64} with 294 stored entries:
⠱⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀⠀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⣦⡀⠀
⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠈⠻⢆
How does solving with the sparse matrix scale?#
function elapsed_solve(n)
x, L, rhs = advdiff_upwind(n, x -> kappa, wind, one)
L = sparse(L)
@elapsed L \ x
end
ns = (1:10) * 1000
times = elapsed_solve.(ns)
scatter(ns, times, xscale=:log10, yscale=:log10)
plot!([n -> 1e-2*n/1000, n -> 1e-2*(n/1000)^2, n -> 1e-2*(n/1000)^3],
label=["n" "n^2" "n^3"])
How much memory is needed?#
SparseArrays Compressed Sparse Column (CSC)#
# starting with a dense matrix
A = sparse([1 0 0 -2; 0 3.14 0 .4; 5.1 0 0 .06])
3×4 SparseMatrixCSC{Float64, Int64} with 6 stored entries:
1.0 ⋅ ⋅ -2.0
⋅ 3.14 ⋅ 0.4
5.1 ⋅ ⋅ 0.06
@show A.colptr
@show A.rowval
A.nzval
A.colptr = [1, 3, 4, 4, 7]
A.rowval = [1, 3, 2, 1, 2, 3]
6-element Vector{Float64}:
1.0
5.1
3.14
-2.0
0.4
0.06
CSC (or, more commonly outside Matlab/Julia, row-based CSR) are good for matrix operations (multiplication, solve), but sometimes inconvenient to assemble.
Matrix assembly using COO format#
A
3×4 SparseMatrixCSC{Float64, Int64} with 6 stored entries:
1.0 ⋅ ⋅ -2.0
⋅ 3.14 ⋅ 0.4
5.1 ⋅ ⋅ 0.06
sparse([1, 1, 2, 2, 3, 3, 1],
[1, 4, 2, 4, 1, 4, 1],
[1, -2, 3.14, .4, 5.1, .06, 10])
3×4 SparseMatrixCSC{Float64, Int64} with 6 stored entries:
11.0 ⋅ ⋅ -2.0
⋅ 3.14 ⋅ 0.4
5.1 ⋅ ⋅ 0.06
Upwind advection-diffusion solver using COO#
function advdiff_sparse(n, kappa, wind, forcing)
x = LinRange(-1, 1, n)
xstag = (x[1:end-1] + x[2:end]) / 2
rhs = forcing.(x)
kappa_stag = kappa.(xstag)
rows = [1, n]
cols = [1, n]
vals = [1., 1.] # diagonals entries (float)
rhs[[1,n]] .= 0 # boundary condition
for i in 2:n-1
flux_L = -kappa_stag[i-1] * fdstencil(x[i-1:i], xstag[i-1], 1) +
wind * (wind > 0 ? [1 0] : [0 1])
flux_R = -kappa_stag[i] * fdstencil(x[i:i+1], xstag[i], 1) +
wind * (wind > 0 ? [1 0] : [0 1])
weights = fdstencil(xstag[i-1:i], x[i], 1)
append!(rows, [i,i,i])
append!(cols, i-1:i+1)
append!(vals, weights[1] * [flux_L..., 0] + weights[2] * [0, flux_R...])
end
L = sparse(rows, cols, vals)
x, L, rhs
end
advdiff_sparse (generic function with 1 method)
Assembly cost#
n = 400; h = 2/n
kappa = 1
wind = 100
x, L, rhs = advdiff_sparse(n, x -> kappa, wind, one)
@show minimum(diff(x))
plot(x, L \ rhs, legend=:none, title="Pe_h $(wind*h/kappa)")
minimum(diff(x)) = 0.005012531328320691
n = 10000
@time advdiff_upwind(n, one, 1, one);
@time advdiff_sparse(n, one, 1, one);
5.870252 seconds (708.47 k allocations: 797.555 MiB, 93.63% gc time)
0.109083 seconds (698.90 k allocations: 38.447 MiB, 50.08% gc time)
# It's also possible to dynamically insert.
# (But performance this way is generally poor.)
A = spzeros(5, 5)
A[1,1] = 3
A
5×5 SparseMatrixCSC{Float64, Int64} with 1 stored entry:
3.0 ⋅ ⋅ ⋅ ⋅
⋅ ⋅ ⋅ ⋅ ⋅
⋅ ⋅ ⋅ ⋅ ⋅
⋅ ⋅ ⋅ ⋅ ⋅
⋅ ⋅ ⋅ ⋅ ⋅
Nonlinear problems and rootfinding#
We want to solve problems like
For linear problems, we found \(u\) such that \(L u = b\) using linear algebra.
For nonlinear problems, we’ll need to find \(u\) such that \(F(u) = 0\).
An algorithm: Bisection#
Bisection is a rootfinding technique that starts with an interval \([a,b]\) containing a root and does not require derivatives. Suppose \(f\) is continuous. What is a sufficient condition for \(f\) to have a root on \([a,b]\)?
hasroot(f, a, b) = f(a) * f(b) < 0
f(x) = cos(x) - x
plot([f, x->0], xlims=(-4,4))
hasroot(f, 0, 1)
true
Bisection#
function bisect(f, a, b, tol)
mid = (a + b) / 2
if abs(b - a) < tol
return mid
elseif hasroot(f, a, mid)
return bisect(f, a, mid, tol)
else
return bisect(f, mid, b, tol)
end
end
x0 = bisect(f, -1, 3, 1e-5)
x0, f(x0)
(0.7390861511230469, -1.7035832658995886e-6)
How fast does it converge?#
function bisect_hist(f, a, b, tol)
mid = (a + b) / 2
if abs(b - a) < tol
return [mid]
elseif hasroot(f, a, mid)
return prepend!(bisect_hist(f, a, mid, tol), [mid])
else
return prepend!(bisect_hist(f, mid, b, tol), [mid])
end
end
bisect_hist (generic function with 1 method)
bisect_hist(f, -1, 3, 1e-4)
17-element Vector{Float64}:
1.0
0.0
0.5
0.75
0.625
0.6875
0.71875
0.734375
0.7421875
0.73828125
0.740234375
0.7392578125
0.73876953125
0.739013671875
0.7391357421875
0.73907470703125
0.739105224609375
Let’s plot the error#
where \(r\) is the true root, \(f(r) = 0\).
r = bisect(f, -1, 3, 1e-14) # what are we trusting?
hist = bisect_hist(f, -1, 3, 1e-10)
scatter( abs.(hist .- r), yscale=:log10)
ks = 1:length(hist)
plot!(ks, 10 * 0.5 .^ ks)
Evidently the error \(e_k = x_k - x_*\) after \(k\) bisections satisfies the bound
Convergence classes#
A convergent rootfinding algorithm produces a sequence of approximations \(x_k\) such that
Bisection: A = q-linearly convergent, B = r-linearly convergent, C = neither#
Remarks on bisection#
Specifying an interval is often inconvenient
An interval in which the function changes sign guarantees convergence (robustness)
No derivative information is required
Roots of even degree are problematic
A bound on the solution error is directly available
The convergence rate is modest – one iteration per bit of accuracy
No good generalization to higher dimensions
Newton-Raphson Method#
Much of numerical analysis reduces to Taylor series, the approximation
In numerical computation, it is exceedingly rare to look beyond the first-order approximation
An implementation#
function newton(f, fp, x0; tol=1e-8, verbose=false)
x = x0
for k in 1:100 # max number of iterations
fx = f(x)
fpx = fp(x)
if verbose
println("[$k] x=$x f(x)=$fx f'(x)=$fpx")
end
if abs(fx) < tol
return x, fx, k
end
x = x - fx / fpx
end
end
eps = 1e-1
newton(x -> eps*(cos(x) - x), x -> eps*(-sin(x) - 1), 1; tol=1e-15, verbose=true)
[1] x=1 f(x)=-0.04596976941318603 f'(x)=-0.18414709848078967
[2] x=0.7503638678402439 f(x)=-0.0018923073822117442 f'(x)=-0.16819049529414878
[3] x=0.7391128909113617 f(x)=-4.645589899077152e-6 f'(x)=-0.16736325442243014
[4] x=0.739085133385284 f(x)=-2.8472058044570758e-11 f'(x)=-0.16736120293089507
[5] x=0.7390851332151607 f(x)=0.0 f'(x)=-0.1673612029183215
(0.7390851332151607, 0.0, 5)
That’s really fast!#
10 digits of accuracy in 4 iterations.
How is this convergence test different from the one we used for bisection?
How can this break down?
newton(x -> cos(x) - x, x -> -sin(x) - 1, .2*pi/2; verbose=true)
[1] x=0.3141592653589793 f(x)=0.6368972509361742 f'(x)=-1.3090169943749475
[2] x=0.8007054703914749 f(x)=-0.10450500785604744 f'(x)=-1.7178474183038182
[3] x=0.7398706100060081 f(x)=-0.0013148113494647617 f'(x)=-1.6741923555416478
[4] x=0.7390852693340639 f(x)=-2.2781024078266654e-7 f'(x)=-1.6736121297866664
[5] x=0.7390851332151648 f(x)=-6.8833827526759706e-15 f'(x)=-1.673612029183218
(0.7390851332151648, -6.8833827526759706e-15, 5)
Convergence of fixed-point iteration#
Consider the iteration
Taking absolute values,
Exercise#
Write Newton’s method for \(f(x) = 0\) from initial guess \(x_0\) as a fixed point method.
Suppose the Newton iterates \(x_k\) converge to a simple root \(x_*\), \(x_k \to x_*\). What is \(\lvert g'(x_*) \rvert\) for Newton’s method?
Newton for systems of equations#
Let \(\mathbf u \in \mathbb R^n\) and consider the function \(\mathbf f(\mathbf u) \in \mathbb R^n\). Then
We drop all but the first two terms and name the Jacobian matrix \(J(\mathbf u) = \mathbf f'(\mathbf u)\),
Newton in code#
function newton(residual, jacobian, u0)
u = u0
uhist = [copy(u)]
normhist = []
for k in 1:20
f = residual(u)
push!(normhist, norm(f))
J = jacobian(u)
delta_u = - J \ f
u += delta_u
push!(uhist, copy(u))
end
uhist, normhist
end
newton (generic function with 1 method)
function residual(u)
x, y = u
[x^2 + y^2 - 1, x^2 - y]
end
function jacobian(u)
x, y = u
[2x 2y; 2x -1]
end
uhist, normhist = newton(residual, jacobian, [0.1, 2])
plot(normhist, marker=:auto, yscale=:log10)
Plotting the trajectory#
xy = hcat(uhist...)
plot(xy[1,:], xy[2,:], marker=:circle)
circle = exp.(1im*LinRange(0, 2*pi, 50))
plot!(real(circle), imag(circle))
plot!(x -> x^2, xlims=(-2, 3), ylims=(-2, 2), axes=:equal, legend=:bottomright)
Bratu problem#
function bratu_f(u; lambda=.5)
n = length(u)
h = 2 / (n - 1)
weights = -fdstencil([-h, 0, h], 0, 2)
u = copy(u)
f = copy(u)
u[1] = 0
u[n] = 1
f[n] -= 1
for i in 2:n-1
f[i] = weights * u[i-1:i+1] - lambda * exp(u[i])
end
f
end
bratu_f (generic function with 1 method)
function bratu_J(u; lambda=.5)
n = length(u)
h = 2 / (n - 1)
weights = -fdstencil([-h, 0, h], 0, 2)
rows = [1, n]
cols = [1, n]
vals = [1., 1.] # diagonals entries (float)
for i in 2:n-1
append!(rows, [i,i,i])
append!(cols, i-1:i+1)
append!(vals, weights + [0 -lambda*exp(u[i]) 0])
end
sparse(rows, cols, vals)
end
bratu_J (generic function with 1 method)
Solving Bratu#
n = 20
x = collect(LinRange(-1., 1, n))
u0 = (1 .+ x) ./ 2
uhist, normhist = newton(bratu_f, bratu_J, u0);
plot(normhist, marker=:circle, yscale=:log10)
plot(x, uhist[end], marker=:circle)