diff --git a/docs/src/api.md b/docs/src/api.md index 9237943c7..7fd4e896c 100644 --- a/docs/src/api.md +++ b/docs/src/api.md @@ -476,6 +476,27 @@ SamplingContext DefaultContext PrefixContext ConditionContext +InitContext +``` + +### VarInfo initialisation + +`InitContext` is used to initialise, or overwrite, values in a VarInfo. + +To accomplish this, an initialisation _strategy_ is required, which defines how new values are to be obtained. +There are three concrete strategies provided in DynamicPPL: + +```@docs +PriorInit +UniformInit +ParamsInit +``` + +If you wish to write your own, you have to subtype [`DynamicPPL.AbstractInitStrategy`](@ref) and implement the `init` method. + +```@docs +DynamicPPL.AbstractInitStrategy +DynamicPPL.init ``` ### Samplers diff --git a/src/DynamicPPL.jl b/src/DynamicPPL.jl index c4e7e6fba..bdf2e96bc 100644 --- a/src/DynamicPPL.jl +++ b/src/DynamicPPL.jl @@ -115,6 +115,12 @@ export AbstractVarInfo, ConditionContext, assume, tilde_assume, + # Initialisation + InitContext, + AbstractInitStrategy, + PriorInit, + UniformInit, + ParamsInit, # Pseudo distributions NamedDist, NoDist, @@ -176,11 +182,12 @@ abstract type AbstractVarInfo <: AbstractModelTrace end # Necessary forward declarations include("utils.jl") include("chains.jl") +include("contexts.jl") +include("contexts/init.jl") include("model.jl") include("sampler.jl") include("varname.jl") include("distribution_wrappers.jl") -include("contexts.jl") include("submodel.jl") include("varnamedvector.jl") include("accumulators.jl") diff --git a/src/contexts.jl b/src/contexts.jl index addadfa1a..cd9876768 100644 --- a/src/contexts.jl +++ b/src/contexts.jl @@ -280,41 +280,6 @@ function prefix_and_strip_contexts(::IsParent, ctx::AbstractContext, vn::VarName return vn, setchildcontext(ctx, new_ctx) end -""" - prefix(model::Model, x::VarName) - prefix(model::Model, x::Val{sym}) - prefix(model::Model, x::Any) - -Return `model` but with all random variables prefixed by `x`, where `x` is either: -- a `VarName` (e.g. `@varname(a)`), -- a `Val{sym}` (e.g. `Val(:a)`), or -- for any other type, `x` is converted to a Symbol and then to a `VarName`. Note that - this will introduce runtime overheads so is not recommended unless absolutely - necessary. - -# Examples - -```jldoctest -julia> using DynamicPPL: prefix - -julia> @model demo() = x ~ Dirac(1) -demo (generic function with 2 methods) - -julia> rand(prefix(demo(), @varname(my_prefix))) -(var"my_prefix.x" = 1,) - -julia> rand(prefix(demo(), Val(:my_prefix))) -(var"my_prefix.x" = 1,) -``` -""" -prefix(model::Model, x::VarName) = contextualize(model, PrefixContext(x, model.context)) -function prefix(model::Model, x::Val{sym}) where {sym} - return contextualize(model, PrefixContext(VarName{sym}(), model.context)) -end -function prefix(model::Model, x) - return contextualize(model, PrefixContext(VarName{Symbol(x)}(), model.context)) -end - """ ConditionContext{Values<:Union{NamedTuple,AbstractDict},Ctx<:AbstractContext} diff --git a/src/contexts/init.jl b/src/contexts/init.jl new file mode 100644 index 000000000..2b87b533b --- /dev/null +++ b/src/contexts/init.jl @@ -0,0 +1,176 @@ +""" + AbstractInitStrategy + +Abstract type representing the possible ways of initialising new values for +the random variables in a model (e.g., when creating a new VarInfo). +""" +abstract type AbstractInitStrategy end + +""" + init(rng::Random.AbstractRNG, vn::VarName, dist::Distribution, strategy::AbstractInitStrategy) + +Generate a new value for a random variable with the given distribution. + +!!! warning "Values must be unlinked" + The values returned by `init` are always in the untransformed space, i.e., + they must be within the support of the original distribution. That means that, + for example, `init(rng, dist, u::UniformInit)` will in general return values that + are outside the range [u.lower, u.upper]. +""" +function init end + +""" + PriorInit() + +Obtain new values by sampling from the prior distribution. +""" +struct PriorInit <: AbstractInitStrategy end +init(rng::Random.AbstractRNG, ::VarName, dist::Distribution, ::PriorInit) = rand(rng, dist) + +""" + UniformInit() + UniformInit(lower, upper) + +Obtain new values by first transforming the distribution of the random variable +to unconstrained space, then sampling a value uniformly between `lower` and +`upper`, and transforming that value back to the original space. + +If `lower` and `upper` are unspecified, they default to `(-2, 2)`, which mimics +Stan's default initialisation strategy. + +Requires that `lower <= upper`. + +# References + +[Stan reference manual page on initialization](https://mc-stan.org/docs/reference-manual/execution.html#initialization) +""" +struct UniformInit{T<:AbstractFloat} <: AbstractInitStrategy + lower::T + upper::T + function UniformInit(lower::T, upper::T) where {T<:AbstractFloat} + lower > upper && + throw(ArgumentError("`lower` must be less than or equal to `upper`")) + return new{T}(lower, upper) + end + UniformInit() = UniformInit(-2.0, 2.0) +end +function init(rng::Random.AbstractRNG, ::VarName, dist::Distribution, u::UniformInit) + b = Bijectors.bijector(dist) + sz = Bijectors.output_size(b, size(dist)) + y = u.lower .+ ((u.upper - u.lower) .* rand(rng, sz...)) + b_inv = Bijectors.inverse(b) + x = b_inv(y) + # 0-dim arrays: https://github.com/TuringLang/Bijectors.jl/issues/398 + if x isa Array{<:Any,0} + x = x[] + end + return x +end + +""" + ParamsInit(params::AbstractDict{<:VarName}, default::AbstractInitStrategy=PriorInit()) + ParamsInit(params::NamedTuple, default::AbstractInitStrategy=PriorInit()) + +Obtain new values by extracting them from the given dictionary or NamedTuple. +The parameter `default` specifies how new values are to be obtained if they +cannot be found in `params`, or they are specified as `missing`. The default +for `default` is `PriorInit()`. + +!!! note + These values must be provided in the space of the untransformed distribution. +""" +struct ParamsInit{P,S<:AbstractInitStrategy} <: AbstractInitStrategy + params::P + default::S + function ParamsInit(params::AbstractDict{<:VarName}, default::AbstractInitStrategy) + return new{typeof(params),typeof(default)}(params, default) + end + ParamsInit(params::AbstractDict{<:VarName}) = ParamsInit(params, PriorInit()) + function ParamsInit(params::NamedTuple, default::AbstractInitStrategy=PriorInit()) + return ParamsInit(to_varname_dict(params), default) + end +end +function init(rng::Random.AbstractRNG, vn::VarName, dist::Distribution, p::ParamsInit) + # TODO(penelopeysm): It would be nice to do a check to make sure that all + # of the parameters in `p.params` were actually used, and either warn or + # error if they aren't. This is actually quite non-trivial though because + # the structure of Dicts in particular can have arbitrary nesting. + return if hasvalue(p.params, vn, dist) + x = getvalue(p.params, vn, dist) + if x === missing + init(rng, vn, dist, p.default) + else + # TODO(penelopeysm): Since x is user-supplied, maybe we could also + # check here that the type / size of x matches the dist? + x + end + else + init(rng, vn, dist, p.default) + end +end + +""" + InitContext( + [rng::Random.AbstractRNG=Random.default_rng()], + [strategy::AbstractInitStrategy=PriorInit()], + ) + +A leaf context that indicates that new values for random variables are +currently being obtained through sampling. Used e.g. when initialising a fresh +VarInfo. Note that, if `leafcontext(model.context) isa InitContext`, then +`evaluate!!(model, varinfo)` will override all values in the VarInfo. +""" +struct InitContext{R<:Random.AbstractRNG,S<:AbstractInitStrategy} <: AbstractContext + rng::R + strategy::S + function InitContext( + rng::Random.AbstractRNG, strategy::AbstractInitStrategy=PriorInit() + ) + return new{typeof(rng),typeof(strategy)}(rng, strategy) + end + function InitContext(strategy::AbstractInitStrategy=PriorInit()) + return InitContext(Random.default_rng(), strategy) + end +end +NodeTrait(::InitContext) = IsLeaf() + +function tilde_assume( + ctx::InitContext, dist::Distribution, vn::VarName, vi::AbstractVarInfo +) + in_varinfo = haskey(vi, vn) + # `init()` always returns values in original space, i.e. possibly + # constrained + x = init(ctx.rng, vn, dist, ctx.strategy) + # Determine whether to insert a transformed value into the VarInfo. + # If the VarInfo alrady had a value for this variable, we will + # keep the same linked status as in the original VarInfo. If not, we + # check the rest of the VarInfo to see if other variables are linked. + # istrans(vi) returns true if vi is nonempty and all variables in vi + # are linked. + insert_transformed_value = in_varinfo ? istrans(vi, vn) : istrans(vi) + f = if insert_transformed_value + link_transform(dist) + else + identity + end + y, logjac = with_logabsdet_jacobian(f, x) + # Add the new value to the VarInfo. `push!!` errors if the value already + # exists, hence the need for setindex!!. + if in_varinfo + vi = setindex!!(vi, y, vn) + else + vi = push!!(vi, vn, y, dist) + end + # Neither of these set the `trans` flag so we have to do it manually if + # necessary. + insert_transformed_value && settrans!!(vi, true, vn) + # `accumulate_assume!!` wants untransformed values as the second argument. + vi = accumulate_assume!!(vi, x, -logjac, vn, dist) + # We always return the untransformed value here, as that will determine + # what the lhs of the tilde-statement is set to. + return x, vi +end + +function tilde_observe!!(::InitContext, right, left, vn, vi) + return tilde_observe!!(DefaultContext(), right, left, vn, vi) +end diff --git a/src/model.jl b/src/model.jl index ac9968cf2..5a07129a0 100644 --- a/src/model.jl +++ b/src/model.jl @@ -799,6 +799,41 @@ julia> # Now `a.x` will be sampled. """ fixed(model::Model) = fixed(model.context) +""" + prefix(model::Model, x::VarName) + prefix(model::Model, x::Val{sym}) + prefix(model::Model, x::Any) + +Return `model` but with all random variables prefixed by `x`, where `x` is either: +- a `VarName` (e.g. `@varname(a)`), +- a `Val{sym}` (e.g. `Val(:a)`), or +- for any other type, `x` is converted to a Symbol and then to a `VarName`. Note that + this will introduce runtime overheads so is not recommended unless absolutely + necessary. + +# Examples + +```jldoctest +julia> using DynamicPPL: prefix + +julia> @model demo() = x ~ Dirac(1) +demo (generic function with 2 methods) + +julia> rand(prefix(demo(), @varname(my_prefix))) +(var"my_prefix.x" = 1,) + +julia> rand(prefix(demo(), Val(:my_prefix))) +(var"my_prefix.x" = 1,) +``` +""" +prefix(model::Model, x::VarName) = contextualize(model, PrefixContext(x, model.context)) +function prefix(model::Model, x::Val{sym}) where {sym} + return contextualize(model, PrefixContext(VarName{sym}(), model.context)) +end +function prefix(model::Model, x) + return contextualize(model, PrefixContext(VarName{Symbol(x)}(), model.context)) +end + """ (model::Model)([rng, varinfo]) @@ -854,6 +889,39 @@ function evaluate_and_sample!!( return evaluate_and_sample!!(Random.default_rng(), model, varinfo, sampler) end +""" + init!!( + [rng::Random.AbstractRNG,] + model::Model, + varinfo::AbstractVarInfo, + [init_strategy::AbstractInitStrategy=PriorInit()] + ) + +Evaluate the `model` and replace the values of the model's random variables in +the given `varinfo` with new values using a specified initialisation strategy. +If the values in `varinfo` are not already present, they will be added using +that same strategy. + +If `init_strategy` is not provided, defaults to PriorInit(). + +Returns a tuple of the model's return value, plus the updated `varinfo` object. +""" +function init!!( + rng::Random.AbstractRNG, + model::Model, + varinfo::AbstractVarInfo, + init_strategy::AbstractInitStrategy=PriorInit(), +) + new_context = setleafcontext(model.context, InitContext(rng, init_strategy)) + new_model = contextualize(model, new_context) + return evaluate!!(new_model, varinfo) +end +function init!!( + model::Model, varinfo::AbstractVarInfo, init_strategy::AbstractInitStrategy=PriorInit() +) + return init!!(Random.default_rng(), model, varinfo, init_strategy) +end + """ evaluate!!(model::Model, varinfo) diff --git a/src/varnamedvector.jl b/src/varnamedvector.jl index 5de0874c9..8095f4475 100644 --- a/src/varnamedvector.jl +++ b/src/varnamedvector.jl @@ -766,9 +766,7 @@ function update_internal!( return nothing end -# TODO(mhauru) The num_produce argument is used by Particle Gibbs. -# Remove this method as soon as possible. -function BangBang.push!(vnv::VarNamedVector, vn, val, dist, num_produce) +function BangBang.push!(vnv::VarNamedVector, vn, val, dist) f = from_vec_transform(dist) return setindex_internal!(vnv, tovec(val), vn, f) end diff --git a/test/contexts.jl b/test/contexts.jl index 597ab736c..3819c4564 100644 --- a/test/contexts.jl +++ b/test/contexts.jl @@ -1,5 +1,5 @@ using Test, DynamicPPL, Accessors -using AbstractPPL: getoptic +using AbstractPPL: getoptic, hasvalue, getvalue using DynamicPPL: leafcontext, setleafcontext, @@ -20,8 +20,9 @@ using DynamicPPL: hasconditioned_nested, getconditioned_nested, collapse_prefix_stack, - prefix_cond_and_fixed_variables, - getvalue + prefix_cond_and_fixed_variables +using LinearAlgebra: I +using Random: Xoshiro using EnzymeCore @@ -103,7 +104,7 @@ Base.IteratorEltype(::Type{<:AbstractContext}) = Base.EltypeUnknown() # sometimes only the main symbol (e.g. it contains `x` when # `vn` is `x[1]`) for vn in conditioned_vns - val = DynamicPPL.getvalue(conditioned_values, vn) + val = getvalue(conditioned_values, vn) # These VarNames are present in the conditioning values, so # we should always be able to extract the value. @test hasconditioned_nested(context, vn) @@ -431,4 +432,204 @@ Base.IteratorEltype(::Type{<:AbstractContext}) = Base.EltypeUnknown() @test fixed(c6) == Dict(@varname(a.b.d) => 2) end end + + @testset "InitContext" begin + empty_varinfos = [ + VarInfo(), + DynamicPPL.typed_varinfo(VarInfo()), + VarInfo(DynamicPPL.VarNamedVector()), + DynamicPPL.typed_vector_varinfo(DynamicPPL.typed_varinfo(VarInfo())), + SimpleVarInfo(), + SimpleVarInfo(Dict{VarName,Any}()), + ] + + @model function test_init_model() + x ~ Normal() + y ~ MvNormal(fill(x, 2), I) + 1.0 ~ Normal() + return nothing + end + function test_generating_new_values(strategy::AbstractInitStrategy) + @testset "generating new values: $(typeof(strategy))" begin + # Check that init!! can generate values that weren't there + # previously. + model = test_init_model() + for empty_vi in empty_varinfos + this_vi = deepcopy(empty_vi) + _, vi = DynamicPPL.init!!(model, this_vi, strategy) + @test Set(keys(vi)) == Set([@varname(x), @varname(y)]) + x, y = vi[@varname(x)], vi[@varname(y)] + @test x isa Real + @test y isa AbstractVector{<:Real} + @test length(y) == 2 + (; logprior, loglikelihood) = getlogp(vi) + @test logpdf(Normal(), x) + logpdf(MvNormal(fill(x, 2), I), y) == + logprior + @test logpdf(Normal(), 1.0) == loglikelihood + end + end + end + function test_replacing_values(strategy::AbstractInitStrategy) + @testset "replacing old values: $(typeof(strategy))" begin + # Check that init!! can overwrite values that were already there. + model = test_init_model() + for empty_vi in empty_varinfos + # start by generating some rubbish values + vi = deepcopy(empty_vi) + old_x, old_y = 100000.00, [300000.00, 500000.00] + push!!(vi, @varname(x), old_x, Normal()) + push!!(vi, @varname(y), old_y, MvNormal(fill(old_x, 2), I)) + # then overwrite it + _, new_vi = DynamicPPL.init!!(model, vi, strategy) + new_x, new_y = new_vi[@varname(x)], new_vi[@varname(y)] + # check that the values are (presumably) different + @test old_x != new_x + @test old_y != new_y + end + end + end + function test_rng_respected(strategy::AbstractInitStrategy) + @testset "check that RNG is respected: $(typeof(strategy))" begin + model = test_init_model() + for empty_vi in empty_varinfos + _, vi1 = DynamicPPL.init!!( + Xoshiro(468), model, deepcopy(empty_vi), strategy + ) + _, vi2 = DynamicPPL.init!!( + Xoshiro(468), model, deepcopy(empty_vi), strategy + ) + _, vi3 = DynamicPPL.init!!( + Xoshiro(469), model, deepcopy(empty_vi), strategy + ) + @test vi1[@varname(x)] == vi2[@varname(x)] + @test vi1[@varname(y)] == vi2[@varname(y)] + @test vi1[@varname(x)] != vi3[@varname(x)] + @test vi1[@varname(y)] != vi3[@varname(y)] + end + end + end + function test_link_status_respected(strategy::AbstractInitStrategy) + @testset "check that varinfo linking is preserved: $(typeof(strategy))" begin + @model logn() = a ~ LogNormal() + model = logn() + vi = VarInfo(model) + linked_vi = DynamicPPL.link!!(vi, model) + _, new_vi = DynamicPPL.init!!(model, linked_vi, strategy) + @test DynamicPPL.istrans(new_vi) + # this is the unlinked value, since it uses `getindex` + a = new_vi[@varname(a)] + # logp should correspond to the transformed value + @test isapprox(DynamicPPL.getlogjoint(new_vi), logpdf(Normal(), log(a))) + @test isapprox( + only(DynamicPPL.getindex_internal(new_vi, @varname(a))), log(a) + ) + end + end + + @testset "PriorInit" begin + test_generating_new_values(PriorInit()) + test_replacing_values(PriorInit()) + test_rng_respected(PriorInit()) + test_link_status_respected(PriorInit()) + + @testset "check that values are within support" begin + # Not many other sensible checks we can do for priors. + @model just_unif() = x ~ Uniform(0.0, 1e-7) + for _ in 1:100 + _, vi = DynamicPPL.init!!(just_unif(), VarInfo(), PriorInit()) + @test vi[@varname(x)] isa Real + @test 0.0 <= vi[@varname(x)] <= 1e-7 + end + end + end + + @testset "UniformInit" begin + test_generating_new_values(UniformInit()) + test_replacing_values(UniformInit()) + test_rng_respected(UniformInit()) + test_link_status_respected(UniformInit()) + + @testset "check that bounds are respected" begin + @testset "unconstrained" begin + umin, umax = -1.0, 1.0 + @model just_norm() = x ~ Normal() + for _ in 1:100 + _, vi = DynamicPPL.init!!( + just_norm(), VarInfo(), UniformInit(umin, umax) + ) + @test vi[@varname(x)] isa Real + @test umin <= vi[@varname(x)] <= umax + end + end + @testset "constrained" begin + umin, umax = -1.0, 1.0 + @model just_beta() = x ~ Beta(2, 2) + inv_bijector = inverse(Bijectors.bijector(Beta(2, 2))) + tmin, tmax = inv_bijector(umin), inv_bijector(umax) + for _ in 1:100 + _, vi = DynamicPPL.init!!( + just_beta(), VarInfo(), UniformInit(umin, umax) + ) + @test vi[@varname(x)] isa Real + @test tmin <= vi[@varname(x)] <= tmax + end + end + end + end + + @testset "ParamsInit" begin + test_link_status_respected(ParamsInit((; a=1.0))) + test_link_status_respected(ParamsInit(Dict(@varname(a) => 1.0))) + + @testset "given full set of parameters" begin + # test_init_model has x ~ Normal() and y ~ MvNormal(zeros(2), I) + my_x, my_y = 1.0, [2.0, 3.0] + params_nt = (; x=my_x, y=my_y) + params_dict = Dict(@varname(x) => my_x, @varname(y) => my_y) + model = test_init_model() + for empty_vi in empty_varinfos + _, vi = DynamicPPL.init!!( + model, deepcopy(empty_vi), ParamsInit(params_nt) + ) + @test vi[@varname(x)] == my_x + @test vi[@varname(y)] == my_y + logp_nt = getlogp(vi) + _, vi = DynamicPPL.init!!( + model, deepcopy(empty_vi), ParamsInit(params_dict) + ) + @test vi[@varname(x)] == my_x + @test vi[@varname(y)] == my_y + logp_dict = getlogp(vi) + @test logp_nt == logp_dict + end + end + + @testset "given only partial parameters" begin + # In this case, we expect `ParamsInit` to use the value of x, and + # generate a new value for y. + my_x = 1.0 + params_nt = (; x=my_x) + params_dict = Dict(@varname(x) => my_x) + model = test_init_model() + for empty_vi in empty_varinfos + _, vi = DynamicPPL.init!!( + Xoshiro(468), model, deepcopy(empty_vi), ParamsInit(params_nt) + ) + @test vi[@varname(x)] == my_x + nt_y = vi[@varname(y)] + @test nt_y isa AbstractVector{<:Real} + @test length(nt_y) == 2 + _, vi = DynamicPPL.init!!( + Xoshiro(469), model, deepcopy(empty_vi), ParamsInit(params_dict) + ) + @test vi[@varname(x)] == my_x + dict_y = vi[@varname(y)] + @test dict_y isa AbstractVector{<:Real} + @test length(dict_y) == 2 + # the values should be different since we used different seeds + @test dict_y != nt_y + end + end + end + end end