Merge pull request #83 from ACEsuit/asp_svd

TSVD Postprocessing of ASP

Project.toml

@@ -13,6 +13,7 @@ Optim = "429524aa-4258-5aef-a3af-852621145aeb"
 ParallelDataTransfer = "2dcacdae-9679-587a-88bb-8b444fb7085b"
 ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
 SharedArrays = "1a1011a3-84de-559e-8e89-a11a2f7dc383"
+SparseArrays = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 
 [weakdeps]

src/asp.jl

@@ -48,35 +48,45 @@ solve(solver::ASP, A, y, Aval=A, yval=y)
 If independent `Aval` and `yval` are provided (instead of detaults `A, y`), 
 then the solver will use this separate validation set instead of the training
 set to select the best solution along the model path. 
-"""
+# """
+
 struct ASP
     P
     select
+    mode::Symbol
+    tsvd::Bool
+    nstore::Integer
     params
 end
 
-function ASP(; P = I, select, mode=:train, params...)
-    return ASP(P, select, params)
+function ASP(; P = I, select, mode=:train, tsvd=false, nstore=100, params...)
+    return ASP(P, select, mode, tsvd, nstore, params)
 end
 
 function solve(solver::ASP, A, y, Aval=A, yval=y)
     # Apply preconditioning
     AP = A / solver.P
 
     tracer = asp_homotopy(AP, y; solver.params...)
-    q = length(tracer)
-    new_tracer = Vector{NamedTuple{(:solution, :λ), Tuple{Any, Any}}}(undef, q)
 
-    for i in 1:q
-        new_tracer[i] = (solution = solver.P \ tracer[i][1], λ = tracer[i][2])
+    q = length(tracer) 
+    every = max(1, q ÷ solver.nstore)
+    istore = unique([1:every:q; q])
+    new_tracer = [ (solution = solver.P \ tracer[i][1], λ = tracer[i][2], σ = 0.0 ) 
+                   for i in istore ]
+
+    if solver.tsvd  # Post-processing if tsvd is true
+        post = post_asp_tsvd(new_tracer, A, y, Aval, yval)
+        new_post = [ (solution = p.θ, λ = p.λ, σ = p.σ) for p in post ]
+    else
+        new_post = new_tracer 
     end
 
-    xs, in = select_solution(new_tracer, solver, Aval, yval)
+    xs, in = select_solution(new_post, solver, Aval, yval)
 
-   #  println("done.")
-    return Dict(   "C" => xs, 
-                "path" => new_tracer, 
-                "nnzs" => length((new_tracer[in][:solution]).nzind) )
+    return Dict( "C" => xs, 
+                "path" => new_post, 
+                "nnzs" => length( (new_tracer[in][:solution]).nzind) )
 end
 
 
@@ -114,44 +124,56 @@ function select_solution(tracer, solver, A, y)
 end
 
 
-#=
-function select_smart(tracer, solver, Aval, yval)
 
-    best_metric = Inf
-    best_iteration = 0
-    validation_metric = 0
-    q = length(tracer)
-    errors = [norm(Aval * t[:solution] - yval) for t in tracer]
-    nnzss = [(t[:solution]).nzind for t in tracer]
-    best_iteration = argmin(errors)
-    validation_metric = errors[best_iteration]
-    validation_end = norm(Aval * tracer[end][:solution] - yval)
+using SparseArrays
 
-    if validation_end < validation_metric #make sure to check the last one too in case q<<100
-        best_iteration = q
-    end
+function solve_tsvd(At, yt, Av, yv) 
+   Ut, Σt, Vt = svd(At); zt = Ut' * yt
+   Qv, Rv = qr(Av); zv = Matrix(Qv)' * yv
+   @assert issorted(Σt, rev=true)
 
-    criterion, threshold = solver.select
-    
-    if criterion == :val
-        return tracer[best_iteration][:solution], best_iteration
-
-    elseif criterion == :byerror
-        for (i, error) in enumerate(errors)
-            if error <= threshold * validation_metric
-                return tracer[i][:solution], i
-            end
-        end
+   Rv_Vt = Rv * Vt
 
-    elseif criterion == :bysize
-        first_index = findfirst(sublist -> threshold in sublist, nnzss)
-        relevant_errors = errors[1:first_index - 1] 
-        min_error = minimum(relevant_errors)
-        min_error_index = findfirst(==(min_error), relevant_errors)
-        return tracer[min_error_index][:solution], min_error_index
+   θv = zeros(size(Av, 2))
+   θv[1] = zt[1] / Σt[1] 
+   rv = Rv_Vt[:, 1] * θv[1] - zv 
 
-    else
-        @error("Unknown selection criterion: $criterion")
-    end
+   tsvd_errs = Float64[] 
+   push!(tsvd_errs, norm(rv))
+
+   for k = 2:length(Σt)
+      θv[k] = zt[k] / Σt[k]
+      rv += Rv_Vt[:, k] * θv[k]
+      push!(tsvd_errs, norm(rv))
+   end
+
+   imin = argmin(tsvd_errs)
+   θv[imin+1:end] .= 0
+   return Vt * θv, Σt[imin]
+end
+
+function post_asp_tsvd(path, At, yt, Av, yv) 
+   Qt, Rt = qr(At); zt = Matrix(Qt)' * yt
+   Qv, Rv = qr(Av); zv = Matrix(Qv)' * yv
+
+   function _post(θλ)
+      (θ, λ) = θλ
+      if isempty(θ.nzind); return (θ = θ, λ = λ, σ = Inf); end  
+      inz = θ.nzind 
+      θ1, σ = solve_tsvd(Rt[:, inz], zt, Rv[:, inz], zv)
+      θ2 = copy(θ); θ2[inz] .= θ1
+      return (θ = θ2, λ = λ, σ = σ)
+   end
+
+   return _post.(path)
+
+#    post = [] 
+#    for (θ, λ) in path
+#       if isempty(θ.nzind); push!(post, (θ = θ, λ = λ, σ = Inf)); continue; end  
+#       inz = θ.nzind 
+#       θ1, σ = solve_tsvd(Rt[:, inz], zt, Rv[:, inz], zv)
+#       θ2 = copy(θ); θ2[inz] .= θ1
+#       push!(post, (θ = θ2, λ = λ, σ = σ))
+#    end 
+#    return identity.(post)
 end
-=#

test/runtests.jl

@@ -8,5 +8,7 @@ using Test
 
     @testset "Linear Solvers" begin include("test_linearsolvers.jl") end
 
+    @testset "ASP" begin include("test_asp.jl") end
+
     @testset "MLJ Solvers" begin include("test_mlj.jl") end
 end

test/test_asp.jl

@@ -0,0 +1,111 @@
+using ACEfit
+using LinearAlgebra, Random, Test 
+using Random
+
+##
+
+@info("Test Solver on overdetermined system")
+
+Random.seed!(1234)
+Nobs = 10_000
+Nfeat = 100
+A1 = randn(Nobs, Nfeat) / sqrt(Nobs)
+U, S1, V = svd(A1)
+S = 1e-4 .+ ((S1 .- S1[end]) / (S1[1] - S1[end])).^2
+A = U * Diagonal(S) * V'
+c_ref = randn(Nfeat)
+epsn = 1e-5 
+y = A * c_ref + epsn * randn(Nobs) / sqrt(Nobs)
+P = Diagonal(1.0 .+ rand(Nfeat))
+
+##
+
+@info(" ... ASP")
+shuffled_indices = shuffle(1:length(y))
+train_indices = shuffled_indices[1:round(Int, 0.85 * length(y))]
+val_indices = shuffled_indices[round(Int, 0.85 * length(y)) + 1:end]
+At = A[train_indices,:]
+Av = A[val_indices,:]
+yt = y[train_indices]
+yv = y[val_indices]
+
+for (select, tolr, tolc) in [ (:final, 10*epsn, 1), 
+                             ( (:byerror,1.3), 10*epsn, 1), 
+                            ( (:bysize,73), 1, 10) ]
+    @show select 
+    local solver, results, C 
+    solver = ACEfit.ASP(P=I, select = select, loglevel=0, traceFlag=true)
+    # without validation 
+    results = ACEfit.solve(solver, A, y)
+    C = results["C"]
+    full_path = results["path"]
+    @show results["nnzs"]
+    @show norm(A * C - y)
+    @show norm(C)
+    @show norm(C - c_ref)
+
+    @test norm(A * C - y) < tolr
+    @test norm(C - c_ref) < tolc
+
+
+    # with validation 
+    results = ACEfit.solve(solver, At, yt, Av, yv)
+    C = results["C"]
+    full_path = results["path"]
+    @show results["nnzs"]
+    @show norm(Av * C - yv)
+    @show norm(C)
+    @show norm(C - c_ref)
+
+    @test norm(Av * C - yv) < tolr
+    @test norm(C - c_ref) < tolc
+end
+
+##
+
+
+# I didn't wanna add more tsvd tests to yours so I just wrote this one
+# I only wanted to naïvely demonstrate that tsvd actually does make a difference! :)
+
+for (select, tolr, tolc) in [ (:final, 20*epsn, 1.5), 
+   ( (:byerror,1.3), 20*epsn, 1.5), 
+  ( (:bysize,73), 1, 10) ]
+   @show select 
+   local solver, results, C 
+   solver_tsvd = ACEfit.ASP(P=I, select=select, mode=:train, tsvd=true, 
+   nstore=100, loglevel=0, traceFlag=true)
+
+   solver = ACEfit.ASP(P=I, select=select, mode=:train, tsvd=false, 
+   nstore=100, loglevel=0, traceFlag=true)
+   # without validation 
+   results_tsvd = ACEfit.solve(solver_tsvd, A, y)
+   results = ACEfit.solve(solver, A, y)
+   C_tsvd = results_tsvd["C"]
+   C = results["C"]
+
+   @show results["nnzs"]
+   @show norm(A * C - y)
+   @show norm(A * C_tsvd - y)
+   if norm(A * C_tsvd - y)< norm(A * C - y)
+      @info "tsvd made improvements!"
+   else
+      @warn "tsvd did NOT make any improvements!"
+   end
+
+
+   # with validation 
+   results_tsvd = ACEfit.solve(solver_tsvd, At, yt, Av, yv)
+   results = ACEfit.solve(solver, At, yt, Av, yv)
+   C_tsvd = results_tsvd["C"]
+   C = results["C"]
+   @show results["nnzs"]
+   @show norm(A * C - y)
+   @show norm(A * C_tsvd - y)
+
+   if norm(A * C_tsvd - y)< norm(A * C - y)
+      @info "tsvd made improvements!"
+   else
+      @warn "tsvd did NOT make any improvements!"
+   end
+end
+

test/test_linearsolvers.jl

@@ -168,45 +168,3 @@ C = results["C"]
 @test norm(A * C - y) < 10 * epsn 
 @test norm(C - c_ref) < 1
 
-##
-
-@info(" ... ASP")
-shuffled_indices = shuffle(1:length(y))
-train_indices = shuffled_indices[1:round(Int, 0.85 * length(y))]
-val_indices = shuffled_indices[round(Int, 0.85 * length(y)) + 1:end]
-At = A[train_indices,:]
-Av = A[val_indices,:]
-yt = y[train_indices]
-yv = y[val_indices]
-
-for (select, tolr, tolc) in [ (:final, 10*epsn, 1), 
-                             ( (:byerror,1.3), 10*epsn, 1), 
-                            ( (:bysize,73), 1, 10) ]
-    @show select 
-    local solver, results, C 
-    solver = ACEfit.ASP(P=I, select = select, loglevel=0, traceFlag=true)
-    # without validation 
-    results = ACEfit.solve(solver, A, y)
-    C = results["C"]
-    full_path = results["path"]
-    @show results["nnzs"]
-    @show norm(A * C - y)
-    @show norm(C)
-    @show norm(C - c_ref)
-
-    @test norm(A * C - y) < tolr
-    @test norm(C - c_ref) < tolc
-
-
-    # with validation 
-    results = ACEfit.solve(solver, At, yt, Av, yv)
-    C = results["C"]
-    full_path = results["path"]
-    @show results["nnzs"]
-    @show norm(Av * C - yv)
-    @show norm(C)
-    @show norm(C - c_ref)
-
-    @test norm(Av * C - yv) < tolr
-    @test norm(C - c_ref) < tolc
-end