In this section, the current design of Turing's model "compiler" is described which enables Turing to perform various types of Bayesian inference without changing the model definition. The "compiler" is essentially just a macro that rewrites the user's model definition to a function that generates a Model
struct that Julia's dispatch can operate on and that Julia's compiler can successfully do type inference on for efficient machine code generation.
Overview
The following terminology will be used in this section:
D
: observed data variables conditioned upon in the posterior,P
: parameter variables distributed according to the prior distributions, these will also be referred to as random variables,Model
: a fully defined probabilistic model with input data
Turing
's @model
macro rewrites the user-provided function definition such that it can be used to instantiate a Model
by passing in the observed data D
.
The following are the main jobs of the @model
macro:
- Parse
~
and.~
lines, e.g.y .~ Normal.(c*x, 1.0)
- Figure out if a variable belongs to the data
D
and or to the parametersP
- Enable the handling of missing data variables in
D
when defining aModel
and treating them as parameter variables inP
instead - Enable the tracking of random variables using the data structures
VarName
andVarInfo
- Change
~
/.~
lines with a variable inP
on the LHS to a call totilde_assume
ordot_tilde_assume
- Change
~
/.~
lines with a variable inD
on the LHS to a call totilde_observe
ordot_tilde_observe
- Enable type stable automatic differentiation of the model using type parameters
The model
A model::Model
is a callable struct that one can sample from by calling
(model::Model)([rng, varinfo, sampler, context])
where rng
is a random number generator (default: Random.default_rng()
), varinfo
is a data structure that stores information about the random variables (default: DynamicPPL.VarInfo()
), sampler
is a sampling algorithm (default: DynamicPPL.SampleFromPrior()
), and context
is a sampling context that can, e.g., modify how the log probability is accumulated (default: DynamicPPL.DefaultContext()
).
Sampling resets the log joint probability of varinfo
and increases the evaluation counter of sampler
. If context
is a LikelihoodContext
, only the log likelihood will be accumulated. With the DefaultContext
the log joint probability of P
and D
is accumulated.
The Model
struct contains the three internal fields f
, args
and defaults
. When model::Model
is called, then the internal function model.f
is called as model.f(rng, varinfo, sampler, context, model.args...)
(for multithreaded sampling, instead of varinfo
a threadsafe wrapper is passed to model.f
). The positional and keyword arguments that were passed to the user-defined model function when the model was created are saved as a NamedTuple
in model.args
. The default values of the positional and keyword arguments of the user-defined model functions, if any, are saved as a NamedTuple
in model.defaults
. They are used for constructing model instances with different arguments by the logprob
and prob
string macros.
Example
Let's take the following model as an example:
@model function gauss(x = missing, y = 1.0, ::Type{TV} = Vector{Float64}) where {TV<:AbstractVector}
if x === missing
x = TV(undef, 3)
end
p = TV(undef, 2)
p[1] ~ InverseGamma(2, 3)
p[2] ~ Normal(0, 1.0)
@. x[1:2] ~ Normal(p[2], sqrt(p[1]))
x[3] ~ Normal()
y ~ Normal(p[2], sqrt(p[1]))
end
The above call of the @model
macro defines the function gauss
with positional arguments x
, y
, and ::Type{TV}
, rewritten in such a way that every call of it returns a model::Model
. Note that only the function body is modified by the @model
macro, and the function signature is left untouched. It is also possible to implement models with keyword arguments such as
@model function gauss(::Type{TV} = Vector{Float64}; x = missing, y = 1.0) where {TV<:AbstractVector}
...
end
This would allow us to generate a model by calling gauss(; x = rand(3))
.
If an argument has a default value missing
, it is treated as a random variable. For variables which require an initialization because we need to loop or broadcast over its elements, such as x
above, the following needs to be done:
if x === missing
x = ...
end
Note that since gauss
behaves like a regular function it is possible to define additional dispatches in a second step as well. For instance, we could achieve the same behaviour by
@model function gauss(x, y = 1.0, ::Type{TV} = Vector{Float64}) where {TV<:AbstractVector}
p = TV(undef, 2)
...
end
function gauss(::Missing, y = 1.0, ::Type{TV} = Vector{Float64}) where {TV<:AbstractVector}
return gauss(TV(undef, 3), y, TV)
end
If x
is sampled as a whole from a distribution and not indexed, e.g., x ~ Normal(...)
or x ~ MvNormal(...)
, there is no need to initialize it in an if
-block.
Step 1: Break up the model definition
First, the @model
macro breaks up the user-provided function definition using DynamicPPL.build_model_info
. This function returns a dictionary consisting of:
allargs_exprs
: The expressions of the positional and keyword arguments, without default values.allargs_syms
: The names of the positional and keyword arguments, e.g.,[:x, :y, :TV]
above.allargs_namedtuple
: An expression that constructs aNamedTuple
of the positional and keyword arguments, e.g.,:((x = x, y = y, TV = TV))
above.defaults_namedtuple
: An expression that constructs aNamedTuple
of the default positional and keyword arguments, if any, e.g.,:((x = missing, y = 1, TV = Vector{Float64}))
above.modeldef
: A dictionary with the name, arguments, and function body of the model definition, as returned byMacroTools.splitdef
.
Step 2: Generate the body of the internal model function
In a second step, DynamicPPL.generate_mainbody
generates the main part of the transformed function body using the user-provided function body and the provided function arguments, without default values, for figuring out if a variable denotes an observation or a random variable. Hereby the function DynamicPPL.generate_tilde
replaces the L ~ R
lines in the model and the function DynamicPPL.generate_dot_tilde
replaces the @. L ~ R
and L .~ R
lines in the model.
In the above example, p[1] ~ InverseGamma(2, 3)
is replaced with something similar to
#= REPL[25]:6 =#
begin
var"##tmpright#323" = InverseGamma(2, 3)
var"##tmpright#323" isa Union{Distribution, AbstractVector{<:Distribution}} || throw(ArgumentError("Right-hand side of a ~ must be subtype of Distribution or a vector of Distributions."))
var"##vn#325" = (DynamicPPL.VarName)(:p, ((1,),))
var"##inds#326" = ((1,),)
p[1] = (DynamicPPL.tilde_assume)(_rng, _context, _sampler, var"##tmpright#323", var"##vn#325", var"##inds#326", _varinfo)
end
Here the first line is a so-called line number node that enables more helpful error messages by providing users with the exact location of the error in their model definition. Then the right hand side (RHS) of the ~
is assigned to a variable (with an automatically generated name). We check that the RHS is a distribution or an array of distributions, otherwise an error is thrown. Next we extract a compact representation of the variable with its name and index (or indices). Finally, the ~
expression is replaced with a call to DynamicPPL.tilde_assume
since the compiler figured out that p[1]
is a random variable using the following heuristic:
- If the symbol on the LHS of
~
,:p
in this case, is not among the arguments to the model,(:x, :y, :T)
in this case, it is a random variable. - If the symbol on the LHS of
~
,:p
in this case, is among the arguments to the model but has a value ofmissing
, it is a random variable. - If the value of the LHS of
~
,p[1]
in this case, ismissing
, then it is a random variable. - Otherwise, it is treated as an observation.
The DynamicPPL.tilde_assume
function takes care of sampling the random variable, if needed, and updating its value and the accumulated log joint probability in the _varinfo
object. If L ~ R
is an observation, DynamicPPL.tilde_observe
is called with the same arguments except the random number generator _rng
(since observations are never sampled).
A similar transformation is performed for expressions of the form @. L ~ R
and L .~ R
. For instance, @. x[1:2] ~ Normal(p[2], sqrt(p[1]))
is replaced with
#= REPL[25]:8 =#
begin
var"##tmpright#331" = Normal.(p[2], sqrt.(p[1]))
var"##tmpright#331" isa Union{Distribution, AbstractVector{<:Distribution}} || throw(ArgumentError("Right-hand side of a ~ must be subtype of Distribution or a vector of Distributions."))
var"##vn#333" = (DynamicPPL.VarName)(:x, ((1:2,),))
var"##inds#334" = ((1:2,),)
var"##isassumption#335" = begin
let var"##vn#336" = (DynamicPPL.VarName)(:x, ((1:2,),))
if !((DynamicPPL.inargnames)(var"##vn#336", _model)) || (DynamicPPL.inmissings)(var"##vn#336", _model)
true
else
x[1:2] === missing
end
end
end
if var"##isassumption#335"
x[1:2] .= (DynamicPPL.dot_tilde_assume)(_rng, _context, _sampler, var"##tmpright#331", x[1:2], var"##vn#333", var"##inds#334", _varinfo)
else
(DynamicPPL.dot_tilde_observe)(_context, _sampler, var"##tmpright#331", x[1:2], var"##vn#333", var"##inds#334", _varinfo)
end
end
The main difference in the expanded code between L ~ R
and @. L ~ R
is that the former doesn't assume L
to be defined, it can be a new Julia variable in the scope, while the latter assumes L
already exists. Moreover, DynamicPPL.dot_tilde_assume
and DynamicPPL.dot_tilde_observe
are called instead of DynamicPPL.tilde_assume
and DynamicPPL.tilde_observe
.
Step 3: Replace the user-provided function body
Finally, we replace the user-provided function body using DynamicPPL.build_output
. This function uses MacroTools.combinedef
to reassemble the user-provided function with a new function body. In the modified function body an anonymous function is created whose function body was generated in step 2 above and whose arguments are
- a random number generator
_rng
, - a model
_model
, - a datastructure
_varinfo
, - a sampler
_sampler
, - a sampling context
_context
, - and all positional and keyword arguments of the user-provided model function as positional arguments
without any default values. Finally, in the new function body a model::Model
with this anonymous function as internal function is returned.
VarName
In order to track random variables in the sampling process, Turing
uses the VarName
struct which acts as a random variable identifier generated at runtime. The VarName
of a random variable is generated from the expression on the LHS of a ~
statement when the symbol on the LHS is in the set P
of unobserved random variables. Every VarName
instance has a type parameter sym
which is the symbol of the Julia variable in the model that the random variable belongs to. For example, x[1] ~ Normal()
will generate an instance of VarName{:x}
assuming x
is an unobserved random variable. Every VarName
also has a field indexing
, which stores the indices required to access the random variable from the Julia variable indicated by sym
as a tuple of tuples. Each element of the tuple thereby contains the indices of one indexing operation (VarName
also supports hierarchical arrays and range indexing). Some examples:
x ~ Normal()
will generate aVarName(:x, ())
.x[1] ~ Normal()
will generate aVarName(:x, ((1,),))
.x[:,1] ~ MvNormal(zeros(2), I)
will generate aVarName(:x, ((Colon(), 1),))
.x[:,1][1+1] ~ Normal()
will generate aVarName(:x, ((Colon(), 1), (2,)))
.
The easiest way to manually construct a VarName
is to use the @varname
macro on an indexing expression, which will take the sym
value from the actual variable name, and put the index values appropriately into the constructor.
VarInfo
Overview
VarInfo
is the data structure in Turing
that facilitates tracking random variables and certain metadata about them that are required for sampling. For instance, the distribution of every random variable is stored in VarInfo
because we need to know the support of every random variable when sampling using HMC for example. Random variables whose distributions have a constrained support are transformed using a bijector from Bijectors.jl so that the sampling happens in the unconstrained space. Different samplers require different metadata about the random variables.
The definition of VarInfo
in Turing
is:
struct VarInfo{Tmeta, Tlogp} <: AbstractVarInfo
metadata::Tmeta
logp::Base.RefValue{Tlogp}
num_produce::Base.RefValue{Int}
end
Based on the type of metadata
, the VarInfo
is either aliased UntypedVarInfo
or TypedVarInfo
. metadata
can be either a subtype of the union type Metadata
or a NamedTuple
of multiple such subtypes. Let vi
be an instance of VarInfo
. If vi isa VarInfo{<:Metadata}
, then it is called an UntypedVarInfo
. If vi isa VarInfo{<:NamedTuple}
, then vi.metadata
would be a NamedTuple
mapping each symbol in P
to an instance of Metadata
. vi
would then be called a TypedVarInfo
. The other fields of VarInfo
include logp
which is used to accumulate the log probability or log probability density of the variables in P
and D
. num_produce
keeps track of how many observations have been made in the model so far. This is incremented when running a ~
statement when the symbol on the LHS is in D
.
Metadata
The Metadata
struct stores some metadata about the random variables sampled. This helps query certain information about a variable such as: its distribution, which samplers sample this variable, its value and whether this value is transformed to real space or not. Let md
be an instance of Metadata
:
md.vns
is the vector of allVarName
instances. Letvn
be an arbitrary element ofmd.vns
md.idcs
is the dictionary that maps eachVarName
instance to its index in
md.vns
, md.ranges
, md.dists
, md.orders
and md.flags
.
md.vns[md.idcs[vn]] == vn
.md.dists[md.idcs[vn]]
is the distribution ofvn
.md.gids[md.idcs[vn]]
is the set of algorithms used to samplevn
. This is used in
the Gibbs sampling process.
md.orders[md.idcs[vn]]
is the number ofobserve
statements beforevn
is sampled.md.ranges[md.idcs[vn]]
is the index range ofvn
inmd.vals
.md.vals[md.ranges[md.idcs[vn]]]
is the linearized vector of values of corresponding tovn
.md.flags
is a dictionary of true/false flags.md.flags[flag][md.idcs[vn]]
is the
value of flag
corresponding to vn
.
Note that in order to make md::Metadata
type stable, all the md.vns
must have the same symbol and distribution type. However, one can have a single Julia variable, e.g. x
, that is a matrix or a hierarchical array sampled in partitions, e.g. x[1][:] ~ MvNormal(zeros(2), I); x[2][:] ~ MvNormal(ones(2), I)
. The symbol x
can still be managed by a single md::Metadata
without hurting the type stability since all the distributions on the RHS of ~
are of the same type.
However, in Turing
models one cannot have this restriction, so we must use a type unstable Metadata
if we want to use one Metadata
instance for the whole model. This is what UntypedVarInfo
does. A type unstable Metadata
will still work but will have inferior performance.
To strike a balance between flexibility and performance when constructing the spl::Sampler
instance, the model is first run by sampling the parameters in P
from their priors using an UntypedVarInfo
, i.e. a type unstable Metadata
is used for all the variables. Then once all the symbols and distribution types have been identified, a vi::TypedVarInfo
is constructed where vi.metadata
is a NamedTuple
mapping each symbol in P
to a specialized instance of Metadata
. So as long as each symbol in P
is sampled from only one type of distributions, vi::TypedVarInfo
will have fully concretely typed fields which brings out the peak performance of Julia.