preallocated coordinate format vectors

docs/make.jl

@@ -18,6 +18,7 @@ makedocs(
     "Classification of SIF problems" => "classification.md",
     "Using CUTEst core functions" => "core.md",
     "Reference" => "reference.md",
+    "API Reference" => "api.md",
   ],
 )
 

docs/src/api.md

@@ -0,0 +1,6 @@
+# API Reference
+
+```@docs
+CUTEst.prepare_input!
+CUTEst.prepare_output!
+```

src/julia_interface.jl

@@ -2,6 +2,42 @@ export cons_coord, cons_coord!, consjac
 
 using NLPModels, SparseArrays
 
+# Type conversion helpers for Issue #392: Preallocate more vectors
+"""
+    prepare_input!(workspace::Vector{T}, x::AbstractVector{S}) where {T, S}
+
+Prepare input vector `x` for use with CUTEst functions, using preallocated workspace
+to avoid allocations when type conversion is needed.
+
+Returns the input vector directly if no conversion is needed, or the workspace vector
+with converted values if type conversion is required.
+"""
+@inline function prepare_input!(workspace::Vector{T}, x::AbstractVector{S}) where {T, S}
+  if S === T && typeof(x) <: Vector{T}
+    return x  # No conversion needed
+  else
+    resize!(workspace, length(x))
+    workspace .= x
+    return workspace
+  end
+end
+
+"""
+    prepare_output!(workspace::Vector{T}, target::AbstractVector{S}, source::AbstractVector{T}) where {T, S}
+
+Prepare output by copying from source to target, using workspace for type conversion if needed.
+"""
+@inline function prepare_output!(workspace::Vector{T}, target::AbstractVector{S}, source::AbstractVector{T}) where {T, S}
+  if S === T && typeof(target) <: Vector{T}
+    target .= source
+  else
+    resize!(workspace, length(source))
+    workspace .= source
+    target .= workspace
+  end
+  return target
+end
+
 function NLPModels.obj(nlp::CUTEstModel{T}, x::StrideOneVector{T}) where {T}
   @lencheck nlp.meta.nvar x
   if nlp.meta.ncon > 0
@@ -40,10 +76,17 @@ end
 
 function NLPModels.grad!(nlp::CUTEstModel{T}, x::AbstractVector, g::AbstractVector) where {T}
   @lencheck nlp.meta.nvar x g
-  x_ = Vector{T}(x)
-  g_ = Vector{T}(g)
-  grad!(nlp, x_, g_)
-  g .= g_
+
+  # Use type conversion helpers to avoid allocations (Issue #392)
+  x_prepared = prepare_input!(nlp.input_workspace, x)
+
+  if typeof(g) <: Vector{T}
+    grad!(nlp, x_prepared, g)
+  else
+    resize!(nlp.output_workspace, length(g))
+    grad!(nlp, x_prepared, view(nlp.output_workspace, 1:length(g)))
+    g .= view(nlp.output_workspace, 1:length(g))
+  end
 end
 
 function NLPModels.objcons!(
@@ -105,13 +148,15 @@ end
 
 function NLPModels.objgrad!(nlp::CUTEstModel{T}, x::AbstractVector, g::StrideOneVector{T}) where {T}
   @lencheck nlp.meta.nvar x g
-  objgrad!(nlp, Vector{T}(x), g)
+  x_prepared = prepare_input!(nlp.input_workspace, x)
+  objgrad!(nlp, x_prepared, g)
 end
 
 function NLPModels.objgrad!(nlp::CUTEstModel{T}, x::AbstractVector, g::AbstractVector) where {T}
   @lencheck nlp.meta.nvar x g
+  x_prepared = prepare_input!(nlp.input_workspace, x)
   gc = nlp.workspace_nvar
-  f, _ = objgrad!(nlp, Vector{T}(x), gc)
+  f, _ = objgrad!(nlp, x_prepared, gc)
   g .= gc
   return f, g
 end
@@ -179,15 +224,28 @@ function cons_coord!(
   @lencheck nlp.meta.nvar x
   @lencheck nlp.meta.ncon c
   @lencheck nlp.meta.nnzj rows cols vals
-  rows_ = Vector{Cint}(undef, nlp.meta.nnzj)
-  cols_ = Vector{Cint}(undef, nlp.meta.nnzj)
-  vals_ = Vector{T}(undef, nlp.meta.nnzj)
-  c_ = Vector{T}(undef, nlp.meta.ncon)
-  cons_coord!(nlp, Vector{T}(x), c_, rows_, cols_, vals_)
-  rows .= rows_
-  cols .= cols_
-  vals .= vals_
-  c .= c_
+
+  # Resize workspace vectors on demand if needed (Issue #392 - double buffering)
+  nnzj = nlp.meta.nnzj
+  if length(nlp.jac_coord_rows) < nnzj
+    resize!(nlp.jac_coord_rows, nnzj)
+    resize!(nlp.jac_coord_cols, nnzj)
+    resize!(nlp.jac_coord_vals, nnzj)
+  end
+  if length(nlp.cons_vals) < nlp.meta.ncon
+    resize!(nlp.cons_vals, nlp.meta.ncon)
+  end
+
+  # Use preallocated vectors instead of allocating new ones
+  cons_coord!(nlp, Vector{T}(x), view(nlp.cons_vals, 1:nlp.meta.ncon), 
+              view(nlp.jac_coord_rows, 1:nnzj), view(nlp.jac_coord_cols, 1:nnzj), 
+              view(nlp.jac_coord_vals, 1:nnzj))
+
+  # Copy results to output vectors
+  rows .= view(nlp.jac_coord_rows, 1:nnzj)
+  cols .= view(nlp.jac_coord_cols, 1:nnzj)
+  vals .= view(nlp.jac_coord_vals, 1:nnzj)
+  c .= view(nlp.cons_vals, 1:nlp.meta.ncon)
   return c, rows, cols, vals
 end
 
@@ -209,11 +267,30 @@ Usage:
 """
 function cons_coord(nlp::CUTEstModel{T}, x::StrideOneVector{T}) where {T}
   @lencheck nlp.meta.nvar x
-  c = Vector{T}(undef, nlp.meta.ncon)
-  rows = Vector{Cint}(undef, nlp.meta.nnzj)
-  cols = Vector{Cint}(undef, nlp.meta.nnzj)
-  vals = Vector{T}(undef, nlp.meta.nnzj)
-  cons_coord!(nlp, x, c, rows, cols, vals)
+
+  # Resize workspace vectors on demand if needed (Issue #392 - double buffering)
+  nnzj = nlp.meta.nnzj
+  if length(nlp.jac_coord_rows) < nnzj
+    resize!(nlp.jac_coord_rows, nnzj)
+    resize!(nlp.jac_coord_cols, nnzj)
+    resize!(nlp.jac_coord_vals, nnzj)
+  end
+  if length(nlp.cons_vals) < nlp.meta.ncon
+    resize!(nlp.cons_vals, nlp.meta.ncon)
+  end
+
+  # Use preallocated vectors to avoid allocations
+  cons_coord!(nlp, x, view(nlp.cons_vals, 1:nlp.meta.ncon), 
+              view(nlp.jac_coord_rows, 1:nnzj), view(nlp.jac_coord_cols, 1:nnzj), 
+              view(nlp.jac_coord_vals, 1:nnzj))
+
+  # Return copies of the results to maintain API compatibility
+  c = copy(view(nlp.cons_vals, 1:nlp.meta.ncon))
+  rows = copy(view(nlp.jac_coord_rows, 1:nnzj))
+  cols = copy(view(nlp.jac_coord_cols, 1:nnzj))
+  vals = copy(view(nlp.jac_coord_vals, 1:nnzj))
+
+  return c, rows, cols, vals
 end
 
 function cons_coord(nlp::CUTEstModel{T}, x::AbstractVector) where {T}
@@ -630,9 +707,16 @@ function NLPModels.hess_coord!(
   @lencheck nlp.meta.nvar x
   @lencheck nlp.meta.ncon y
   @lencheck nlp.meta.nnzh vals
-  vals_ = Vector{T}(undef, nlp.meta.nnzh)
-  NLPModels.hess_coord!(nlp, Vector{T}(x), convert(Vector{T}, y), vals_, obj_weight = obj_weight)
-  vals .= vals_
+
+  # Resize workspace vector on demand if needed (Issue #392 - double buffering)
+  if length(nlp.hess_coord_vals) < nlp.meta.nnzh
+    resize!(nlp.hess_coord_vals, nlp.meta.nnzh)
+  end
+
+  # Use preallocated vector instead of allocating
+  NLPModels.hess_coord!(nlp, Vector{T}(x), convert(Vector{T}, y), 
+                        view(nlp.hess_coord_vals, 1:nlp.meta.nnzh), obj_weight = obj_weight)
+  vals .= view(nlp.hess_coord_vals, 1:nlp.meta.nnzh)
   return vals
 end
 

src/model.jl

@@ -15,6 +15,20 @@ mutable struct CUTEstModel{T} <: AbstractNLPModel{T, Vector{T}}
   workspace_nvar::Vector{T}
   workspace_ncon::Vector{T}
 
+  # Preallocated coordinate format vectors
+  jac_coord_rows::Vector{Cint}     # nnzj elements for Jacobian row indices
+  jac_coord_cols::Vector{Cint}     # nnzj elements for Jacobian column indices
+  jac_coord_vals::Vector{T}        # nnzj elements for Jacobian values
+  hess_coord_vals::Vector{T}       # nnzh elements for Hessian values
+
+  # Preallocated constraint evaluation vectors
+  cons_vals::Vector{T}             # ncon elements for constraint values
+  cons_nln_vals::Vector{T}         # nnln elements for nonlinear constraints subset
+
+  # Type conversion workspace vectors
+  input_workspace::Vector{T}       # nvar elements for input conversion
+  output_workspace::Vector{T}      # max(nvar, ncon) elements for output conversion
+
   Jval::Vector{T}
   Jvar::Vector{Cint}
 
@@ -297,6 +311,21 @@ function CUTEstModel{T}(
   workspace_nvar = Vector{T}(undef, nvar)
   workspace_ncon = Vector{T}(undef, ncon)
 
+  # Preallocate new coordinate format vectors (Issue #392)
+  jac_coord_rows = Vector{Cint}(undef, nnzj)
+  jac_coord_cols = Vector{Cint}(undef, nnzj)
+  jac_coord_vals = Vector{T}(undef, nnzj)
+  hess_coord_vals = Vector{T}(undef, nnzh)
+
+  # Preallocate constraint evaluation vectors
+  cons_vals = Vector{T}(undef, ncon)
+  nnln = count(.!linear)  # Number of nonlinear constraints
+  cons_nln_vals = Vector{T}(undef, nnln)
+
+  # Preallocate type conversion workspace vectors
+  input_workspace = Vector{T}(undef, nvar)
+  output_workspace = Vector{T}(undef, max(nvar, ncon))
+
   fclose(T, libsif, funit, status)
   cutest_error(status[])
 
@@ -330,6 +359,14 @@ function CUTEstModel{T}(
     clinvals,
     workspace_nvar,
     workspace_ncon,
+    jac_coord_rows,
+    jac_coord_cols,
+    jac_coord_vals,
+    hess_coord_vals,
+    cons_vals,
+    cons_nln_vals,
+    input_workspace,
+    output_workspace,
     Jval,
     Jvar,
     libsif,

test/test_comprehensive.jl

@@ -0,0 +1,76 @@
+using CUTEst
+using BenchmarkTools
+using LinearAlgebra
+using NLPModels
+
+# Test with an unconstrained problem first
+println("Testing with unconstrained problem (ROSENBR):")
+nlp1 = CUTEstModel{Float64}("ROSENBR")
+x0 = nlp1.meta.x0
+
+# Test hess_coord allocations
+println("✓ Problem loaded: $(nlp1.meta.name) ($(nlp1.meta.nvar) vars, $(nlp1.meta.ncon) cons)")
+vals_h = Vector{Float64}(undef, nlp1.meta.nnzh)
+hess_coord!(nlp1, x0, vals_h)
+
+b_hess = @benchmark hess_coord!($nlp1, $x0, $vals_h) samples=100 evals=5
+println("✓ hess_coord!: $(b_hess.allocs) allocations, $(BenchmarkTools.prettytime(median(b_hess).time))")
+
+finalize(nlp1)
+
+# Test with a constrained problem
+println("\nTesting with constrained problem (HS6):")
+nlp2 = CUTEstModel{Float64}("HS6")
+x0 = nlp2.meta.x0
+
+println("✓ Problem loaded: $(nlp2.meta.name) ($(nlp2.meta.nvar) vars, $(nlp2.meta.ncon) cons)")
+println("  nnzj: $(nlp2.meta.nnzj), nnzh: $(nlp2.meta.nnzh)")
+
+# Test basic functionality
+f = obj(nlp2, x0)
+g = similar(x0)
+grad!(nlp2, x0, g)
+println("✓ obj/grad: f = $(round(f, digits=6)), ||g|| = $(round(norm(g), digits=6))")
+
+# Test constraint functions
+c = Vector{Float64}(undef, nlp2.meta.ncon)
+cons!(nlp2, x0, c)
+println("✓ constraints: ||c|| = $(round(norm(c), digits=6))")
+
+# Test cons_coord - this should show major allocation improvements
+println("\nTesting cons_coord allocation improvements:")
+c1, rows1, cols1, vals1 = cons_coord(nlp2, x0)
+
+# Benchmark cons_coord
+b_cons = @benchmark cons_coord($nlp2, $x0) samples=100 evals=5
+println("✓ cons_coord: $(b_cons.allocs) allocations, $(BenchmarkTools.prettytime(median(b_cons).time))")
+println("  Memory: $(BenchmarkTools.prettymemory(median(b_cons).memory))")
+println("  Returned $(length(vals1)) Jacobian elements")
+
+# Test cons_coord! 
+rows = Vector{Cint}(undef, nlp2.meta.nnzj)
+cols = Vector{Cint}(undef, nlp2.meta.nnzj)
+vals = Vector{Float64}(undef, nlp2.meta.nnzj)
+c_out = Vector{Float64}(undef, nlp2.meta.ncon)
+
+b_cons_inplace = @benchmark cons_coord!($nlp2, $x0, $c_out, $rows, $cols, $vals) samples=100 evals=5
+println("✓ cons_coord!: $(b_cons_inplace.allocs) allocations, $(BenchmarkTools.prettytime(median(b_cons_inplace).time))")
+
+# Test type conversion
+println("\nTesting type conversion improvements:")
+x0_f32 = Float32.(x0)
+g_f32 = Vector{Float32}(undef, nlp2.meta.nvar)
+
+b_grad_conv = @benchmark grad!($nlp2, $x0_f32, $g_f32) samples=100 evals=5
+println("✓ grad! with Float32->Float64 conversion: $(b_grad_conv.allocs) allocations")
+println("  Time: $(BenchmarkTools.prettytime(median(b_grad_conv).time))")
+
+# Test hess_coord with constraints
+vals_h2 = Vector{Float64}(undef, nlp2.meta.nnzh)
+y = zeros(nlp2.meta.ncon)
+hess_coord!(nlp2, x0, y, vals_h2)
+
+b_hess2 = @benchmark hess_coord!($nlp2, $x0, $y, $vals_h2) samples=100 evals=5
+println("✓ hess_coord! (constrained): $(b_hess2.allocs) allocations, $(BenchmarkTools.prettytime(median(b_hess2).time))")
+
+finalize(nlp2)