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grad.jl
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220 lines (188 loc) · 6.22 KB
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export grad, jacobian, jvp, j′vp, to_vec
replace_arg(x, xs::Tuple, k::Int) = ntuple(p -> p == k ? x : xs[p], length(xs))
"""
grad(fdm, f, xs...)
Approximate the gradient of `f` at `xs...` using `fdm`. Assumes that `f(xs...)` is scalar.
"""
function grad end
function _grad(fdm, f, x::AbstractArray{T}) where T <: Number
# x must be mutable, we will mutate it and then mutate it back.
dx = similar(x)
for k in eachindex(x)
dx[k] = fdm(zero(T)) do ϵ
xk = x[k]
x[k] = xk + ϵ
ret = f(x)
x[k] = xk # Can't do `x[k] -= ϵ` as floating-point math is not associative
return ret::T
end
end
return (dx, )
end
grad(fdm, f, x::Array{<:Number}) = _grad(fdm, f, x)
# Fallback for when we don't know `x` will be mutable:
grad(fdm, f, x::AbstractArray{<:Number}) = _grad(fdm, f, similar(x).=x)
grad(fdm, f, x::Real) = (fdm(f, x), )
grad(fdm, f, x::Tuple) = (grad(fdm, (xs...)->f(xs), x...), )
function grad(fdm, f, d::Dict{K, V}) where {K, V}
∇d = Dict{K, V}()
for (k, v) in d
dk = d[k]
function f′(x)
d[k] = x
return f(d)
end
∇d[k] = grad(fdm, f′, v)[1]
d[k] = dk
end
return (∇d, )
end
function grad(fdm, f, x)
v, back = to_vec(x)
return (back(grad(fdm, x->f(back(v)), v)), )
end
function grad(fdm, f, xs...)
return ntuple(length(xs)) do k
grad(fdm, x->f(replace_arg(x, xs, k)...), xs[k])[1]
end
end
"""
jacobian(fdm, f, xs::Union{Real, AbstractArray{<:Real}}; len::Int=length(f(x)))
Approximate the Jacobian of `f` at `x` using `fdm`. `f(x)` must be a length `len` vector. If
`len` is not provided, then `f(x)` is computed once to determine the output size.
"""
function jacobian(fdm, f, x::Union{T, AbstractArray{T}}; len::Int=length(f(x))) where {T <: Number}
J = Matrix{float(T)}(undef, len, length(x))
for d in 1:len
gs = grad(fdm, x->f(x)[d], x)[1]
for k in 1:length(x)
J[d, k] = gs[k]
end
end
return (J, )
end
function jacobian(fdm, f, xs...; len::Int=length(f(xs...)))
return ntuple(length(xs)) do k
jacobian(fdm, x->f(replace_arg(x, xs, k)...), xs[k]; len=len)[1]
end
end
"""
_jvp(fdm, f, x::Vector{<:Number}, ẋ::AbstractVector{<:Number})
Convenience function to compute `jacobian(f, x) * ẋ`.
"""
_jvp(fdm, f, x::Vector{<:Number}, ẋ::AV{<:Number}) = fdm(ε -> f(x .+ ε .* ẋ), zero(eltype(x)))
"""
_j′vp(fdm, f, ȳ::AbstractVector{<:Number}, x::Vector{<:Number})
Convenience function to compute `transpose(jacobian(f, x)) * ȳ`.
"""
_j′vp(fdm, f, ȳ::AV{<:Number}, x::Vector{<:Number}) = transpose(jacobian(fdm, f, x; len=length(ȳ))[1]) * ȳ
"""
jvp(fdm, f, x, ẋ)
Compute a Jacobian-vector product with any types of arguments for which [`to_vec`](@ref)
is defined.
"""
function jvp(fdm, f, (x, ẋ)::Tuple{Any, Any})
x_vec, vec_to_x = to_vec(x)
_, vec_to_y = to_vec(f(x))
return vec_to_y(_jvp(fdm, x_vec->to_vec(f(vec_to_x(x_vec)))[1], x_vec, to_vec(ẋ)[1]))
end
function jvp(fdm, f, xẋs::Tuple{Any, Any}...)
x, ẋ = collect(zip(xẋs...))
return jvp(fdm, xs->f(xs...)[1], (x, ẋ))
end
"""
j′vp(fdm, f, ȳ, x...)
Compute an adjoint with any types of arguments for which [`to_vec`](@ref) is defined.
"""
function j′vp(fdm, f, ȳ, x)
x_vec, vec_to_x = to_vec(x)
ȳ_vec, _ = to_vec(ȳ)
return (vec_to_x(_j′vp(fdm, x_vec->to_vec(f(vec_to_x(x_vec)))[1], ȳ_vec, x_vec)), )
end
j′vp(fdm, f, ȳ, xs...) = j′vp(fdm, xs->f(xs...), ȳ, xs)[1]
"""
to_vec(x) -> Tuple{<:AbstractVector, <:Function}
Transform `x` into a `Vector`, and return a closure which inverts the transformation.
"""
function to_vec(x::Number)
function Number_from_vec(x_vec)
return first(x_vec)
end
return [x], Number_from_vec
end
# Vectors
to_vec(x::Vector{<:Number}) = (x, identity)
function to_vec(x::Vector)
x_vecs_and_backs = map(to_vec, x)
x_vecs, backs = first.(x_vecs_and_backs), last.(x_vecs_and_backs)
function Vector_from_vec(x_vec)
sz = cumsum([map(length, x_vecs)...])
return [backs[n](x_vec[sz[n]-length(x_vecs[n])+1:sz[n]]) for n in eachindex(x)]
end
return vcat(x_vecs...), Vector_from_vec
end
# Arrays
function to_vec(x::Array{<:Number})
function Array_from_vec(x_vec)
return reshape(x_vec, size(x))
end
return vec(x), Array_from_vec
end
function to_vec(x::Array)
x_vec, back = to_vec(reshape(x, :))
function Array_from_vec(x_vec)
return reshape(back(x_vec), size(x))
end
return x_vec, Array_from_vec
end
# AbstractArrays
function to_vec(x::T) where {T<:LinearAlgebra.AbstractTriangular}
x_vec, back = to_vec(Matrix(x))
function AbstractTriangular_from_vec(x_vec)
return T(reshape(back(x_vec), size(x)))
end
return x_vec, AbstractTriangular_from_vec
end
function to_vec(x::Symmetric)
function Symmetric_from_vec(x_vec)
return Symmetric(reshape(x_vec, size(x)))
end
return vec(Matrix(x)), Symmetric_from_vec
end
function to_vec(X::Diagonal)
function Diagonal_from_vec(x_vec)
return Diagonal(reshape(x_vec, size(X)...))
end
return vec(Matrix(X)), Diagonal_from_vec
end
function to_vec(X::Transpose)
function Transpose_from_vec(x_vec)
return Transpose(permutedims(reshape(x_vec, size(X))))
end
return vec(Matrix(X)), Transpose_from_vec
end
function to_vec(X::Adjoint)
function Adjoint_from_vec(x_vec)
return Adjoint(conj!(permutedims(reshape(x_vec, size(X)))))
end
return vec(Matrix(X)), Adjoint_from_vec
end
# Non-array data structures
function to_vec(x::Tuple)
x_vecs, x_backs = zip(map(to_vec, x)...)
sz = cumsum([map(length, x_vecs)...])
function Tuple_from_vec(v)
return ntuple(n->x_backs[n](v[sz[n]-length(x_vecs[n])+1:sz[n]]), length(x))
end
return vcat(x_vecs...), Tuple_from_vec
end
# Convert to a vector-of-vectors to make use of existing functionality.
function to_vec(d::Dict)
d_vec_vec = [val for val in values(d)]
d_vec, back = to_vec(d_vec_vec)
function Dict_from_vec(v)
v_vec_vec = back(v)
return Dict([(key, v_vec_vec[n]) for (n, key) in enumerate(keys(d))])
end
return d_vec, Dict_from_vec
end