optimize permutedim and pass chain_diff

src/layers.jl

@@ -147,7 +147,7 @@ function (ipa::Union{IPCrossA, IPA})(
     end
 
     if customgrad  
-        return ipa_customgrad(ipa, TiL, siL, zij, mask; rope)
+        return ipa_customgrad(ipa, TiL, siL, zij, mask, rope = rope, chain_diffs = chain_diffs)
     end
 
     if !isnothing(zij)
@@ -268,7 +268,14 @@ function (ipa::Union{IPCrossA, IPA})(
     return si 
 end
 
-function ipa_customgrad(ipa::Union{IPCrossA, IPA}, Ti::Tuple{AbstractArray,AbstractArray}, S::AbstractArray, zij::AbstractArray, mask::AbstractArray, rope::Union{IPARoPE, Nothing} = nothing, chain_diffs = 1)    
+function ipa_customgrad(
+    ipa::Union{IPCrossA, IPA}, 
+    Ti::Tuple{AbstractArray,AbstractArray}, 
+    S::AbstractArray, 
+    zij::Union{AbstractArray, Nothing},
+    mask::AbstractArray; 
+    rope = nothing, 
+    chain_diffs = 1)         
     # Get relevant parameters from our ipa struct.
     l = ipa.layers
     dims, c, N_head, N_query_points, N_point_values, c_z, Typ, pairwise = ipa.settings 
@@ -312,6 +319,8 @@ function ipa_customgrad(ipa::Union{IPCrossA, IPA}, Ti::Tuple{AbstractArray,Abstr
     vhp = reshape(l.proj_vhp(siL),(3,N_head*N_point_values,N_frames_L,:))
 
     if !isnothing(rope)
+       # @show size(qh)
+       #@show size(kh)
         qhTkh = dotproducts(rope, qh, kh; chain_diffs)
     else
         qhTkh = dotproducts(qh, kh)
@@ -638,6 +647,7 @@ function expand(
     layer.ipa_linear(o), cache
 end
 
+
 sumdrop(x; dims) = dropdims(sum(x; dims); dims)
 sumdrop(f, x; dims) = dropdims(sum(f, x; dims); dims)
 

src/rope.jl

@@ -118,18 +118,24 @@ function RoPEdotproducts(iparope::IPARoPE, q, k; chain_diffs = nothing)
     chain_diffs is either nothing or a array of 0's and 1's describing the ij-pair as pertaining to the same chain if the entry at ij is 1, else 0. 
 """
 function dotproducts(iparope::IPARoPE, qh::AbstractArray{T, 4}, kh::AbstractArray{T, 4}; chain_diffs = 1) where T<: Real
-    # O(N) permutedims, shouldn't be too bad. 
     qropshape = permutedims(qh, (1,3,2,4))
-    kropshape = permutedims(kh, (1,3,2,4))
-    rotq, rotk = permutedims(iparope.rope(qropshape), (1,3,2,4)), permutedims(iparope.rope(kropshape), (1,3,2,4))
-    rotqTrotk = dotproducts(rotq, rotk)
+    kropshape = permutedims(kh, (1,3,2,4)) 
+    rotq, rotk = permutedims(iparope.rope(qropshape), (2,1,3,4)), iparope.rope(kropshape)
+    rotqTrotk = permutedims(batched_mul(
+        rotq,
+        rotk
+    ), (3,1,2,4))
+
     # when things are from different chain, we rotate only the queries by a fixed amount
     if chain_diffs != 1
         #return qropshape 
-        rotq2 = permutedims(iparope.fixed_rope(qropshape), (1,3,2,4))
-        rotq2Trotk2 = dotproducts(rotq2, kh)
+        rotq2 = permutedims(iparope.fixed_rope(qropshape), (2,1,3,4))
+        rotq2Trotk2 = permutedims(batched_mul(
+            rotq2,
+            kropshape
+        ), (3,1,2,4))
         # unsqueeze chain diffs to shape 1, framesR, framesL 
-        rotqTrotk = unsqueeze(chain_diffs, 1) .* rotqTrotk .+ (1 .- unsqueeze(chain_diffs, 1) .* rotq2Trotk2)
+        rotqTrotk = Flux.unsqueeze(chain_diffs, 1) .* rotqTrotk .+ (1 .- Flux.unsqueeze(chain_diffs, 1) .* rotq2Trotk2)
     end
     return rotqTrotk
 end