Introduction
Some problems, especially in numerical integration and Markov Chain Monte Carlo, benefit from transformation of variables: for example, if $σ > 0$ is a standard deviation parameter, it is usually better to work with log(σ) which can take any value on the real line. However, in general such transformations require correcting density functions by the determinant of their Jacobian matrix, usually referred to as "the Jacobian".
Also, is usually easier to code MCMC algorithms to work with vectors of real numbers, which may represent a "flattened" version of parameters, and would need to be decomposed into individual parameters, which themselves may be arrays, tuples, or special objects like lower triangular matrices.
This package is designed to help with both of these use cases. For example, consider the "8 schools" problem from Chapter 5.5 of Gelman et al (2013), in which SAT scores $y_{ij}$ in $J=8$ schools are modeled using a conditional normal
\[y_{ij} ∼ N(θⱼ, σ²)\]
and the $θⱼ$ are assume to have a hierarchical prior distribution
\[θⱼ ∼ N(μ, τ²)\]
For this problem, one could define a transformation
using TransformVariables
t = as((μ = asℝ, σ = asℝ₊, τ = asℝ₊, θs = as(Array, 8)))
dimension(t)11which would then yield a NamedTuple with the given names, with one of them being a Vector:
julia> x = randn(dimension(t))11-element Vector{Float64}: 0.06193274031408013 0.2784058141640002 -0.5958244153640522 0.04665938957338174 1.0857940215432762 -1.5765649225859841 0.1759399913010747 0.8653808054093252 0.972024394360624 1.546409924955377 -0.5841980481085709julia> y = transform(t, x)(μ = 0.06193274031408013, σ = 1.3210221779582236, τ = 0.5511080366004918, θs = [0.04665938957338174, 1.0857940215432762, -1.5765649225859841, 0.1759399913010747, 0.8653808054093252, 0.972024394360624, 1.546409924955377, -0.5841980481085709])julia> keys(y)(:μ, :σ, :τ, :θs)julia> y.θs8-element Vector{Float64}: 0.04665938957338174 1.0857940215432762 -1.5765649225859841 0.1759399913010747 0.8653808054093252 0.972024394360624 1.546409924955377 -0.5841980481085709
Further worked examples of using this package can be found in the DynamicHMCExamples.jl repository. It is recommended that the user reads those first, and treats this documentation as a reference.
General interface
TransformVariables.dimension — Functiondimension(t::AbstractTransform)The dimension (number of elements) that t transforms.
Types should implement this method.
TransformVariables.transform — Functiontransform(t, x)Transform x using t.
transform(t)Return a callable equivalent to x -> transform(t, x) that transforms its argument:
transform(t, x) == transform(t)(x)TransformVariables.transform_and_logjac — Functiontransform_and_logjac(t, x)
Transform x using t; calculating the log Jacobian determinant, returned as the second value.
TransformVariables.inverse — Functioninverse(t, y)Return x so that transform(t, x) ≈ y.
inverse(t)Return a callable equivalent to y -> inverse(t, y). t can also be a callable created with transform, so the following holds:
inverse(t)(y) == inverse(t, y) == inverse(transform(t))(y)eltype(inverse(t, transform(t, x))) is not necessarily equal to eltype(x), it is not guaranteed to be the narrowest possible type, and may change without warning between versions. Some effort is made to come up with a reasonable concrete type even in corner cases.
TransformVariables.inverse! — Functioninverse!(x, transformation, y)
Put inverse(t, y) into a preallocated vector x, returning x.
Generalized indexing should be assumed on x.
See inverse_eltype for determining the type of x.
TransformVariables.inverse_eltype — Functioninverse_eltype(t::AbstractTransform, y)The element type for vector x so that inverse!(x, t, y) works.
It is not guaranteed that the result is the narrowest possible type, and may change without warning between versions. Some effort is made to come up with a reasonable concrete type even in corner cases.
TransformVariables.transform_logdensity — Functiontransform_logdensity(t, f, x)
Let $y = t(x)$, and $f(y)$ a log density at y. This function evaluates f ∘ t as a log density, taking care of the log Jacobian correction.
TransformVariables.domain_label — Functiondomain_label(transformation, index)
Return a string that can be used to for identifying a coordinate. Mainly for debugging and generating graphs and data summaries.
Transformations may provide a heuristic label.
Transformations should implement _domain_label.
Example
julia> t = as((a = asℝ₊,
b = as(Array, asℝ₋, 1, 1),
c = corr_cholesky_factor(2)));
julia> [domain_label(t, i) for i in 1:dimension(t)]
3-element Vector{String}:
".a"
".b[1,1]"
".c[1]"Defining transformations
The as constructor and aggregations
Some transformations, particularly aggregations use the function as as the constructor. Aggregating transformations are built from other transformations to transform consecutive (blocks of) real numbers into the desired domain.
It is recommended that you use as(Array, ...) and friends (as(Vector, ...), as(Matrix, ...)) for repeating the same transformation, and named tuples such as as((μ = ..., σ = ...)) for transforming into named parameters. For extracting parameters in log likelihoods, consider Parameters.jl.
See methods(as) for all the constructors, ?as for their documentation.
TransformVariables.as — Functionas(T, args...)Shorthand for constructing transformations with image in T. args determines or modifies behavior, details depend on T.
Not all transformations have an as method, some just have direct constructors. See methods(as) for a list.
Examples
as(Real, -∞, 1) # transform a real number to (-∞, 1)
as(Array, 10, 2) # reshape 20 real numbers to a 10x2 matrix
as(Array, as𝕀, 10) # transform 10 real numbers to (0, 1)
as((a = asℝ₊, b = as𝕀)) # transform 2 real numbers a NamedTuple, with a > 0, 0 < b < 1
as(SArray{1,2,3}, as𝕀) # transform to a static array of positive numbersScalar transforms
The symbol ∞ is a placeholder for infinity. It does not correspond to Inf, but acts as a placeholder for the correct dispatch. -∞ is valid.
TransformVariables.∞ — ConstantPlaceholder representing of infinity for specifing interval boundaries. Supports the - operator, ie -∞.
as(Real, a, b) defines transformations to finite and (semi-)infinite subsets of the real line, where a and b can be -∞ and ∞, respectively.
TransformVariables.as — Methodas(Real, left, right)Return a transformation that transforms a single real number to the given (open) interval.
left < right is required, but may be -∞ or ∞, respectively, in which case the appropriate transformation is selected. See ∞.
Some common transformations are predefined as constants, see asℝ, asℝ₋, asℝ₊, as𝕀.
The finite arguments are promoted to a common type and affect promotion. Eg transform(as(0, ∞), 0f0) isa Float32, but transform(as(0.0, ∞), 0f0) isa Float64.
The following constants are defined for common cases.
TransformVariables.asℝ — ConstantTransform to the real line (identity). See as.
asℝ and as_real are equivalent alternatives.
TransformVariables.asℝ₊ — ConstantTransform to a positive real number. See as.
asℝ₊ and as_positive_real are equivalent alternatives.
TransformVariables.asℝ₋ — ConstantTransform to a negative real number. See as.
asℝ₋ and as_negative_real are equivalent alternatives.
TransformVariables.as𝕀 — ConstantTransform to the unit interval (0, 1). See as.
as𝕀 and as_unit_interval are equivalent alternatives.
For more granular control than the as(Real, a, b), scalar transformations can be built from individual elements with the composition operator ∘ (typed as \circ<tab>):
TransformVariables.TVExp — Typestruct TVExp <: TransformVariables.ScalarTransformExponential transformation x ↦ eˣ. Maps from all reals to the positive reals.
TransformVariables.TVLogistic — Typestruct TVLogistic <: TransformVariables.ScalarTransformLogistic transformation x ↦ logit(x). Maps from all reals to (0, 1).
TransformVariables.TVScale — Typestruct TVScale{T} <: TransformVariables.ScalarTransformScale transformation x ↦ scale * x.
TransformVariables.TVShift — Typestruct TVShift{T<:Real} <: TransformVariables.ScalarTransformShift transformation x ↦ x + shift.
TransformVariables.TVNeg — Typestruct TVNeg <: TransformVariables.ScalarTransformNegative transformation x ↦ -x.
Consistent with common notation, transforms are applied right-to-left; for example, as(Real, ∞, 3) is equivalent to TVShift(3) ∘ TVNeg() ∘ TVExp(). If you are working in an editor where typing Unicode is difficult, TransformVariables.compose is also available, as in TransformVariables.compose(TVScale(5.0), TVNeg(), TVExp()).
This composition works with any scalar transform in any order, so TVScale(4) ∘ as(Real, 2, ∞) ∘ TVShift(1e3) is a valid transform. This is useful especially for making sure that values near 0, when transformed, yield usefully-scaled values for a given variable.
In addition, the TVScale transform accepts arbitrary types. It can be used as the outermost transform (so leftmost in the composition) to add, for example, Unitful units to a number (or to create other exotic number types which can be constructed by multiplying, such as a ForwardDiff.Dual).
However, note that calculating log Jacobian determinants may error for types that are not real numbers. For example,
using Unitful
t = TVScale(5u"m") ∘ TVExp()produces positive quantities with the dimension of length.
Because the log-Jacobian of a transform that adds units is not defined, transform_and_logjac and inverse_and_logjac only have methods defined for TVScale{T} where {T<:Real}.
The inverse transform of TVScale(scale) divides by scale, which is the correct inverse for adding units to a number, but may be inappropriate for other custom number types. A transform that doesn't just multiply or an inverse that extracts a float from an exotic number type could be defined by adding methods to transform and inverse like the following: transform(t::TVScale{T}, x) where T<:MyCustomNumberType = MyCustomNumberType(x) inverse(t::TVScale{T}, x) where T<:MyCustomNumberType = get_the_float_part(x)
Special arrays
TransformVariables.UnitVector — TypeUnitVector(n)Transform n-1 real numbers to a unit vector of length n, under the Euclidean norm.
TransformVariables.UnitSimplex — TypeUnitSimplex(n)Transform n-1 real numbers to a vector of length n whose elements are non-negative and sum to one.
TransformVariables.CorrCholeskyFactor — TypeCorrCholeskyFactor(n)It is better style to use corr_cholesky_factor, this will be deprecated.
Cholesky factor of a correlation matrix of size n.
Transforms $n×(n-1)/2$ real numbers to an $n×n$ upper-triangular matrix U, such that U'*U is a correlation matrix (positive definite, with unit diagonal).
Notes
If
zis a vector ofnIID standard normal variates,σis ann-element vector of standard deviations,Uis obtained fromCorrCholeskyFactor(n),
then Diagonal(σ) * U' * z will be a multivariate normal with the given variances and correlation matrix U' * U.
TransformVariables.corr_cholesky_factor — Functioncorr_cholesky_factor(n)
Transform into a Cholesky factor of a correlation matrix.
If the argument is a (positive) integer n, it determines the size of the output n × n, resulting in a Matrix.
If the argument is SMatrix{N,N}, an SMatrix is produced.
Miscellaneous transformations
TransformVariables.Constant — TypeConstant(value)
Placeholder for inserting a constant. Inverse checks equality with ==.
Defining custom transformations
TransformVariables.logjac_forwarddiff — Functionlogjac_forwarddiff(f, x; handleNaN, chunk, cfg)
Calculate the log Jacobian determinant of f at x using ForwardDiff.
Note
f should be a bijection, mapping from vectors of real numbers to vectors of equal length.
When handleNaN = true (the default), NaN log Jacobians are converted to -Inf.
TransformVariables.value_and_logjac_forwarddiff — Functionvalue_and_logjac_forwarddiff(
f,
x;
flatten,
handleNaN,
chunk,
cfg
)
Calculate the value and the log Jacobian determinant of f at x. flatten is used to get a vector out of the result that makes f a bijection.
TransformVariables.CustomTransform — TypeCustomTransform(g, f, flatten; chunk, cfg)
Wrap a custom transform y = f(transform(g, x)) in a type that calculates the log Jacobian of $∂y/∂x$ using ForwardDiff when necessary.
Usually, g::TransformReals, but when an integer is used, it amounts to the identity transformation with that dimension.
flatten should take the result from f, and return a flat vector with no redundant elements, so that $x ↦ y$ is a bijection. For example, for a covariance matrix the elements below the diagonal should be removed.
chunk and cfg can be used to configure ForwardDiff.JacobianConfig. cfg is used directly, while chunk = ForwardDiff.Chunk{N}() can be used to obtain a type-stable configuration.