Implement fixed-point differentiation and gauge-fixing #13

pbrehmer · 2024-02-20T16:21:02Z

This PR will implement proper differentiation of the CTMRG fixed point. In order to do so, I'm refactoring some parts of the CTMRG code and I'm adding a PEPSOptimize algorithm struct that stores all parameters related to PEPS optimization.

Since fixed-point differentiation requires element-wise convergence of the environment tensors, I will also add a simple gauge-fixing function.

pbrehmer · 2024-02-20T16:31:39Z

Note that this first commit is still quite rough, I just needed somewhere to push all the new/refactored code. Also, many of the new function and struct names might still be off, so feel free to come up with alternative names :-)

The (refactored) heisenberg.jl example is still running and does produce the correct ground-state energy for 1x1 unit cells. I didn't test anything else yet.

In the next few commits, I will add the gauge-fixing routine and then the efficient fixed-point differentiation should work also. (I have already added that in the fpgrad methods.)

For now I have removed the distinction between peps_above and peps_below but this should be easy to reimplement. To that end I would use something like an InfinitePEPSPair struct which stores both the above and below PEPS. This would make sense with regards to generalizing the state on which CTMRG is applied: All generic CTMRG functions would dispatch on the CTMRGEnv environment type and a general state type (i.e. an InfinitePEPS, an InfinitePEPSPair, and 4-legged MPO for 2D stat-mech and so on).

lkdvos

I really like most of these changes, and added some minor remarks with my opinions inline.

I think the biggest thing I am not entirely happy with is the top interface, with how PEPSOptimize is defined, but maybe it's okay to first have it this way and refactor later.

src/PEPSKit.jl

src/algorithms/ctmrg.jl

lkdvos · 2024-02-21T08:26:21Z

src/algorithms/ctmrg.jl

+        (max(Δnorm, ΔCS, ΔTS) < alg.tol && i > alg.miniter) && break  # Converge if maximal Δ falls below tolerance
+
+        # Print verbose info
+        ignore_derivatives() do


I think we could handle logging by just making some functions log_iter, log_convergence, log_init, ...:

function log_iter(alg::CTMRG, vars...) # logging code end

This is probably easy to change later, and we can just mark these functions as non_differentiable. It also keeps the function body of the main algorithm cleaner, and dispatching on the algorithm makes sure that it is modular?

Also, I think the usage of @info is probably quite nice, as this can then be disabled or redirected to a logfile using julia's Logging.jl

Logging functions and switching to @info seems like a good idea. I will probably get back to that once I got all the other stuff running.

src/algorithms/ctmrg.jl

src/utility/util.jl

lkdvos · 2024-02-21T09:23:20Z

src/algorithms/peps_opt.jl

+    for r in size(env.corners, 2), c in size(env.corners, 3)
+        cnext = _next(c, size(peps, 2))
+        @tensor ρ[-11 -20; -12 -18] :=
+            env.corners[NORTHWEST, r, c][1; 3] *
+            env.edges[NORTH, r, c][3 5 8; 13] *
+            env.edges[NORTH, r, cnext][13 16 22; 23] *
+            env.corners[NORTHEAST, r, cnext][23; 24] *
+            env.edges[EAST, r, cnext][24 25 26; 27] *
+            env.corners[SOUTHEAST, r, cnext][27; 28] *
+            env.edges[SOUTH, r, cnext][28 17 21; 14] *
+            env.edges[SOUTH, r, c][14 6 10; 4] *
+            env.corners[SOUTHWEST, r, c][4; 2] *
+            env.edges[WEST, r, c][2 7 9; 1] *
+            peps[r, c][-12; 5 15 6 7] *
+            conj(peps[r, c][-11; 8 19 10 9]) *
+            peps[r, cnext][-18; 16 25 17 15] *
+            conj(peps[r, cnext][-20; 22 26 21 19])
+        @diffset ρunitcell[r, c] = ρ
+    end


I think we can avoid diffset alltogether here, by just using map. (Also small typo, should either be 1:size() or axes)

Suggested change

for r in size(env.corners, 2), c in size(env.corners, 3)

cnext = _next(c, size(peps, 2))

@tensor ρ[-11 -20; -12 -18] :=

env.corners[NORTHWEST, r, c][1; 3] *

env.edges[NORTH, r, c][3 5 8; 13] *

env.edges[NORTH, r, cnext][13 16 22; 23] *

env.corners[NORTHEAST, r, cnext][23; 24] *

env.edges[EAST, r, cnext][24 25 26; 27] *

env.corners[SOUTHEAST, r, cnext][27; 28] *

env.edges[SOUTH, r, cnext][28 17 21; 14] *

env.edges[SOUTH, r, c][14 6 10; 4] *

env.corners[SOUTHWEST, r, c][4; 2] *

env.edges[WEST, r, c][2 7 9; 1] *

peps[r, c][-12; 5 15 6 7] *

conj(peps[r, c][-11; 8 19 10 9]) *

peps[r, cnext][-18; 16 25 17 15] *

conj(peps[r, cnext][-20; 22 26 21 19])

@diffset ρunitcell[r, c] = ρ

end

ρunitcell = map(Iterators.product(axes(env.corners, 2), axes(env.corners, 3))) do (r, c)

cnext = _next(c, size(peps, 2))

@tensor ρ[-11 -20; -12 -18] :=

env.corners[NORTHWEST, r, c][1; 3] *

env.edges[NORTH, r, c][3 5 8; 13] *

env.edges[NORTH, r, cnext][13 16 22; 23] *

env.corners[NORTHEAST, r, cnext][23; 24] *

env.edges[EAST, r, cnext][24 25 26; 27] *

env.corners[SOUTHEAST, r, cnext][27; 28] *

env.edges[SOUTH, r, cnext][28 17 21; 14] *

env.edges[SOUTH, r, c][14 6 10; 4] *

env.corners[SOUTHWEST, r, c][4; 2] *

env.edges[WEST, r, c][2 7 9; 1] *

peps[r, c][-12; 5 15 6 7] *

conj(peps[r, c][-11; 8 19 10 9]) *

peps[r, cnext][-18; 16 25 17 15] *

conj(peps[r, cnext][-20; 22 26 21 19])

return ρ

end

might be cleaner to actually map over the tensor arrays and use some form of circshift instead

I definitely like the map much better. I'll use the map over the axes indices for now and maybe think about mapping over the tensor arrays later.

I think there's a couple more places where this happens, and the pattern should be generally applicable. In principle, the optimized version would be to do newarray = map!!(fun, oldarray), where map!!(args...) = map!(args...) but the reverse rule just applies map() along with the rrule for that function. That way, if you're just contracting a peps and not optimizing, this avoids some unneccesary allocations. (but let's just keep that in mind for later)

lkdvos · 2024-02-21T09:27:51Z

src/algorithms/peps_opt.jl

+struct LinSolve <: GradMode end
+
+# Algorithm struct containing parameters for PEPS optimization
+# TODO: have an interface for general cost functions? (could merge energyfun and reuse_env)


I am not a huge fan of having the cost function as a field in the algorithm. I usually think of these algorithm structs as glorified named tuples, that can be used to dispatch on and hold the relevant keyword arguments to a function. In that sense, I think the cost function would rather be an argument, instead of a keyword.

I'm not sure if this is possible, but can we have an interface of the following sort:

groundsearch(!)(x_init, H, alg, [envs])

In this case alg could be dispatched on, and this contains the parameters for how to contract, and how to optimize, and H is the operator, which actually fixes the costfunction together with the fact that it is groundsearch.

Additionally, I think I'm actually more a fan of fixedpoint(x_init, H, alg, envs) as this makes more sense both for 3d stat mech and 2+1d quantum

I am not a huge fan of having the cost function as a field in the algorithm.

I agree that having the cost function inside the algorithm struct is not a nice design. In general, I should rethink the PEPS optimization design with PEPSOptimize, groundsearch and costfun. One thing I am unsure about is how much user freedom such a PEPS optimization interface should allow.

Additionally, I think I'm actually more a fan of fixedpoint(x_init, H, alg, envs) as this makes more sense both for 3d stat mech and 2+1d quantum

Yes, I like the name. Especially if we have a unified interface for different kinds of optimization (2d quantum, 3d stat mech, 2+1d quantum, ...) I would really prefer this.

...and H is the operator, which actually fixes the costfunction...

This would be neat and multiple ways come to mind on how to realize this:

We could define an abstract Hamiltonian type and then define specific models as subtypes with corresponding cost functions, e.g. costfun(H::SquareLatticeHeisenberg). This would be flexible but it would introduce possibly redundant data types.

Or we could dispatch on the underlying tensor map type directly, e.g. costfun(H::AbstractTensorMap{<:ElementarySpace,2,2}) and fix the cost function to the next-neighbor energy. This is rather unflexible but it might be enough.

I would probably opt for option 1 since one might need to write specific methods for specific models anyway, which would justify giving it a data type. What do you think?

I definitely like option 1, but I would rather go with a generic type that only fixes the geometry of the interactions, in which you could still just put whatever tensor. Something like NearestNeighbour{SquareLattice} sounds like a middle ground between having to dispatch on tensors, which don't have enough information to fully specify what it means, and having to define types for each different hamiltonian. In any case, the abstract Hamiltonian type as a layer inbetween I definitely like.

src/algorithms/ctmrg.jl

…get empty projectors

…valuation and manual iteration of linear operator, put optional args in InfinitePEPS constructor first

pbrehmer · 2024-02-22T11:32:57Z

Alright, the gauge fixing and FP differentiation works for the heisenberg.jl example, at least for 1x1 unit cells. The FP differentiation using a linear solver is not yet implemented but that I'll do next (I will switch from IterativeSolvers to KrylovKit). Also I need to check if all of this actually works for larger unit cells.

What I noticed and do not understand yet: When I use the manual iteration mode of computing the gradient (ManualIter), I often times get cotangents sensitive to gauge choice warnings during differentiation. I find it weird that this doesn't happen when computing the same thing explicitly with the geometric sum...

lkdvos · 2024-02-22T12:05:14Z

Alright, the gauge fixing and FP differentiation works for the heisenberg.jl example, at least for 1x1 unit cells. The FP differentiation using a linear solver is not yet implemented but that I'll do next (I will switch from IterativeSolvers to KrylovKit). Also I need to check if all of this actually works for larger unit cells.

What I noticed and do not understand yet: When I use the manual iteration mode of computing the gradient (ManualIter), I often times get cotangents sensitive to gauge choice warnings during differentiation. I find it weird that this doesn't happen when computing the same thing explicitly with the geometric sum...

I might not be understanding this completely, but I think you only gauge-fix the last iteration, which is the information you use for doing the geometric series, so there is no gauge dependency there. On the other hand, there might actually be a gauge dependency in the intermediate step of a random CTMRG iteration, and possibly there might be some numeric error reasons why this doesn't completely cancel out for the separate steps

pbrehmer · 2024-02-23T14:15:33Z

I might not be understanding this completely, but I think you only gauge-fix the last iteration, which is the information you use for doing the geometric series, so there is no gauge dependency there. On the other hand, there might actually be a gauge dependency in the intermediate step of a random CTMRG iteration, and possibly there might be some numeric error reasons why this doesn't completely cancel out for the separate steps

Okay, so apparently the choice of initial guess y₀ = CTMRGEnv(peps; Venv=space(env.edges[1])[1]) was the problem. Since this is a completely random environment it might have support on spaces which create this gauge sensitivity?

I now use y₀ = ∂F∂x which seems to get rid of this problem. Additionally, it really speeds up the performance of the LinSolve gradient computation with KrylovKit.linsolve (before it was uselessly slow, now tends to be the fastest and most accurate option I think --- but of course this depends on the set tolerance and so on).

…ess to speed it up

lkdvos · 2024-02-23T14:22:52Z

I guess the other option is to explicitly tell the rrule that it does not depend on the initial guess, but that might not be super-clean either

pbrehmer · 2024-02-26T15:58:08Z

When I tested differentiating the fixed-point with unit cells Friday and today, I noticed two problems. First, I needed to figure out the gauge-fixing for general unit cells (I think I got this today, but haven't implemented it yet). And second, when doing the naive AD through CTMRG, somehow the adjoint of _setindex of the @diffset macro runs into problems with ZeroTangent --- I haven't understood this yet. I get the following error:

ERROR: MethodError: Cannot `convert` an object of type ChainRulesCore.ZeroTangent to an object of type TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}

Closest candidates are:
  convert(::Type{<:AbstractTensorMap}, ::MPSKit.FiniteMPS)
   @ MPSKit ~/.julia/packages/MPSKit/atykv/src/states/finitemps.jl:235
  convert(::Type{TensorMap{S, N₁, N₂, I, A, F₁, F₂}}, ::AbstractTensorMap{S, N₁, N₂}) where {S, N₁, N₂, I, A, F₁, F₂}
   @ TensorKit ~/.julia/packages/TensorKit/gpuAY/src/tensors/tensor.jl:572
  convert(::Type{T}, ::T) where T
   @ Base Base.jl:64

Stacktrace:
  [1] setindex!(A::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, x::ChainRulesCore.ZeroTangent, i1::Int64)
    @ Base ./array.jl:969
  [2] _unsafe_copyto!(dest::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, doffs::Int64, src::Matrix{Any}, soffs::Int64, n::Int64)
    @ Base ./array.jl:250
  [3] unsafe_copyto!
    @ ./array.jl:304 [inlined]
  [4] _copyto_impl!
    @ ./array.jl:327 [inlined]
  [5] copyto!
    @ ./array.jl:314 [inlined]
  [6] copyto!
    @ ./array.jl:339 [inlined]
  [7] copyto_axcheck!(dest::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, src::Matrix{Any})
    @ Base ./abstractarray.jl:1182
  [8] Array
    @ ./array.jl:621 [inlined]
  [9] convert
    @ ./array.jl:613 [inlined]
 [10] _setindex_pullback
    @ ~/repos/PEPSKit.jl/src/utility/util.jl:96 [inlined]
 [11] (::Zygote.ZBack{PEPSKit.var"#_setindex_pullback#4"{Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, Tuple{Int64, Int64}}})(dy::Matrix{Union{Nothing, TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/chainrules.jl:211
 [12] macro expansion
    @ ~/repos/PEPSKit.jl/src/utility/util.jl:131 [inlined]
 [13] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:219 [inlined]
 [14] (::Zygote.Pullback{Tuple{typeof(PEPSKit.left_move), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [15] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:157 [inlined]
 [16] (::Zygote.Pullback{Tuple{typeof(PEPSKit.ctmrg_iter), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [17] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:59 [inlined]
 [18] (::Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [19] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:48 [inlined]
 [20] (::Zygote.Pullback{Tuple{typeof(PEPSKit.costfun!), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{3, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}, Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:energyfun, Zygote.Context{false}, PEPSOptimize{NaiveAD}, typeof(PEPSKit.next_neighbor_energy)}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.next_neighbor_energy), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.ZBack{Zygote.var"#real_pullback#350"}, Zygote.ZBack{Zygote.var"#plus_pullback#345"{Tuple{ComplexF64, ComplexF64}}}, Zygote.Pullback{Tuple{typeof(rotl90), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.Pullback{Tuple{typeof(rotl90), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.materialize), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcasted), typeof(rotl90), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcastable), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing, Nothing, Nothing}, Tuple{}}, Zygote.var"#4121#back#1362"{Zygote.var"#∇broadcasted#1373"{Tuple{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Matrix{Tuple{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Zygote.Pullback{Tuple{typeof(rotl90), TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#permute_pullback#49"{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Tuple{Tuple{Int64}, NTuple{4, Int64}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2017#back#204"{typeof(identity)}}}}}, Val{2}}}}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing}, Tuple{}}, Zygote.var"#combine_styles_pullback#1168"{Tuple{Nothing, Nothing}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{typeof(Base.Broadcast.broadcastable), 1, Tuple{Tuple{}}, Tuple{Val{0}}, Tuple{}}}, Zygote.var"#2017#back#204"{typeof(identity)}}}, Zygote.Pullback{Tuple{Type{InfinitePEPS}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:A, Zygote.Context{false}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}, Zygote.ZBack{PEPSKit.var"#pb#3"{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}}}}}}})(Δ::Float64)
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [21] (::Zygote.var"#75#76"{Zygote.Pullback{Tuple{typeof(PEPSKit.costfun!), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{3, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}, Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:energyfun, Zygote.Context{false}, PEPSOptimize{NaiveAD}, typeof(PEPSKit.next_neighbor_energy)}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.next_neighbor_energy), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.ZBack{Zygote.var"#real_pullback#350"}, Zygote.ZBack{Zygote.var"#plus_pullback#345"{Tuple{ComplexF64, ComplexF64}}}, Zygote.Pullback{Tuple{typeof(rotl90), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.Pullback{Tuple{typeof(rotl90), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.materialize), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcasted), typeof(rotl90), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcastable), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing, Nothing, Nothing}, Tuple{}}, Zygote.var"#4121#back#1362"{Zygote.var"#∇broadcasted#1373"{Tuple{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Matrix{Tuple{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Zygote.Pullback{Tuple{typeof(rotl90), TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#permute_pullback#49"{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Tuple{Tuple{Int64}, NTuple{4, Int64}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2017#back#204"{typeof(identity)}}}}}, Val{2}}}}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing}, Tuple{}}, Zygote.var"#combine_styles_pullback#1168"{Tuple{Nothing, Nothing}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{typeof(Base.Broadcast.broadcastable), 1, Tuple{Tuple{}}, Tuple{Val{0}}, Tuple{}}}, Zygote.var"#2017#back#204"{typeof(identity)}}}, Zygote.Pullback{Tuple{Type{InfinitePEPS}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:A, Zygote.Context{false}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}, Zygote.ZBack{PEPSKit.var"#pb#3"{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}}}}}}}})(Δ::Float64)
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:91
 [22] gradient(::Function, ::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, ::Vararg{Any})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:148
 [23] ctmrg_gradient(x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{NaiveAD})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:40
 [24] #103
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:26 [inlined]
 [25] optimize(fg::PEPSKit.var"#103#104"{TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, alg::LBFGS{Float64, HagerZhangLineSearch{Rational{Int64}}}; precondition::typeof(OptimKit._precondition), finalize!::typeof(OptimKit._finalize!), retract::Function, inner::typeof(PEPSKit.my_inner), transport!::typeof(OptimKit._transport!), scale!::typeof(OptimKit._scale!), add!::typeof(OptimKit._add!), isometrictransport::Bool)
    @ OptimKit ~/.julia/packages/OptimKit/xpmbV/src/lbfgs.jl:21
 [26] groundsearch(H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{NaiveAD}, ψinit::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, envinit::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:25
 [27] top-level scope
    @ ~/repos/PEPSKit.jl/examples/heisenberg.jl:45

Any chance you know what is going on?

lkdvos · 2024-02-26T17:29:05Z

I think I do, the problem is that you have an array of tensors, and when taking the derivative of a single one, zygote will automatically make the other ones ZeroTangent. However, when creating the array that contains the tangents, this will have eltype a TensorMap, and the implicit conversion when calling setindex on such an array is throwing an error.

I hadn't realised this is something that can happen, and so either the array should be promoted to also being able to capture ZeroTangent, or we should avoid the code that generates this case, because I don't think we can create a sensible convertor, given that the type does not specify the spaces...

…ript, replace global phase fix by normalizing with sign

pbrehmer · 2024-02-27T14:28:59Z

Apparently, you can avoid the setindex error by not using @diffset for assigning the projectors to an array at that point. Instead, I used Zygote.Buffer so the code is runnable now.

I came across another problem with @diffset in the rotl90(::CTMRGEnv) method. For non-symmetric unit cells (e.g. 2x1), it allowed me to assign rotated corners and edges to the non-rotated arrays in-place. You are able to assign rotl90(env.corners)[dir, :, :] to similar(env.corners)[dir, :, :] which should not be allowed --- and indeed, if you don't use @diffset this does raise an error.

lkdvos · 2024-02-27T21:25:42Z

I guess we should just try to avoid diffset, it is mostly a hack anyways

pbrehmer · 2024-03-01T17:17:25Z

So I think, this should be almost ready to go. There is still some minor mistakes in the gauge-fixing, but it now does work for some larger unit cells (there is probably some switch ups in the row/column indices still). Also there is some AD issues, but that seems solvable, so I will figure the rest out on Monday.

Should I also implement an initial version of the fixedpoint(x_init, H, alg, envs) interface? We could then be able to merge this PR maybe --- what do you think?

pbrehmer · 2024-03-05T15:58:55Z

Here is the error that happens during AD of gauge_fix (get ready for some long Zygote lines). In case we can't fix it yet, we can revert to an earlier version, or unroll the for loop with rotate_north explicitly.

ERROR: MethodError: no method matching +(::NamedTuple{(:contents,), Tuple{Array{Union{Nothing, TrivialTensorMap{ComplexSpace, 2, 0, Matrix{ComplexF64}}, Tensor{ComplexSpace, 2, Trivial, Matrix{ComplexF64}, Nothing, Nothing}}, 3}}}, ::Base.RefValue{Any})

Closest candidates are:
  +(::Any, ::Any, ::Any, ::Any...)
   @ Base operators.jl:578
  +(::Union{InitialValues.NonspecificInitialValue, InitialValues.SpecificInitialValue{typeof(+)}}, ::Any)
   @ InitialValues ~/.julia/packages/InitialValues/OWP8V/src/InitialValues.jl:154
  +(::ChainRulesCore.AbstractThunk, ::Any)
   @ ChainRulesCore ~/.julia/packages/ChainRulesCore/zgT0R/src/tangent_arithmetic.jl:122
  ...

Stacktrace:
  [1] accum(x::NamedTuple{(:contents,), Tuple{Array{Union{Nothing, TrivialTensorMap{ComplexSpace, 2, 0, Matrix{ComplexF64}}, Tensor{ComplexSpace, 2, Trivial, Matrix{ComplexF64}, Nothing, Nothing}}, 3}}}, y::Base.RefValue{Any})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/lib/lib.jl:17
  [2] accum(x::NamedTuple{(:contents,), Tuple{Array{Union{Nothing, TrivialTensorMap{ComplexSpace, 2, 0, Matrix{ComplexF64}}, Tensor{ComplexSpace, 2, Trivial, Matrix{ComplexF64}, Nothing, Nothing}}, 3}}}, y::Nothing, zs::Base.RefValue{Any})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/lib/lib.jl:22
  [3] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:181 [inlined]
  [4] (::Zygote.Pullback{Tuple{typeof(PEPSKit.fix_relative_phases), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TensorMap{ComplexSpace, 2, 0, Trivial, Matrix{ComplexF64}, Nothing, Nothing}, 3}}, Any})(Δ::Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
  [5] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:86 [inlined]
  [6] (::Zygote.Pullback{Tuple{typeof(PEPSKit.gauge_fix), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#2961#back#750"{Zygote.var"#zip_pullback#749"{Tuple{Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#83#88", Nothing, false}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, Nothing, false}}, Zygote.Pullback{Tuple{typeof(map), PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Tuple{Zygote.Pullback{Tuple{Type{Base.Generator}, PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Tuple{Zygote.Pullback{Tuple{Type{Base.Generator{Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}}}, PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Tuple{Zygote.var"#2214#back#313"{Zygote.Jnew{Base.Generator{Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}}, Nothing, false}}, Zygote.ZBack{ChainRules.var"#fieldtype_pullback#423"}, Zygote.Pullback{Tuple{typeof(convert), Type{Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Tuple{}}, Zygote.Pullback{Tuple{typeof(convert), Type{PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}}, PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}}, Tuple{}}, Zygote.ZBack{ChainRules.var"#fieldtype_pullback#423"}}}}}, Zygote.var"#collect_pullback#705"{Zygote.var"#map_back#667"{PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, 1, Tuple{Base.Iterators.ProductIterator{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}, Tuple{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, Array{Tuple{TensorMap{ComplexSpace, 2, 0, Trivial, Matrix{ComplexF64}, Nothing, Nothing}, Zygote.Pullback{Tuple{PEPSKit.var"#84#89"{CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{Matrix{ComplexF64}, 3}, Array{Matrix{ComplexF64}, 3}}, Tuple{Int64, Int64, Int64}}, Any}}, 3}}, Nothing}}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 2, Zygote.Context{false}, Int64}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#86#91", Nothing, false}}, Zygote.Pullback{Tuple{typeof(PEPSKit.fix_relative_phases), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TensorMap{ComplexSpace, 2, 0, Trivial, Matrix{ComplexF64}, Nothing, Nothing}, 3}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:corners, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.Pullback{Tuple{typeof(map), PEPSKit.var"#85#90", Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Tuple{Zygote.Pullback{Tuple{Type{Base.Generator}, PEPSKit.var"#85#90", Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Tuple{Zygote.Pullback{Tuple{Type{Base.Generator{Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}, PEPSKit.var"#85#90"}}, PEPSKit.var"#85#90", Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Tuple{Zygote.var"#2214#back#313"{Zygote.Jnew{Base.Generator{Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}, PEPSKit.var"#85#90"}, Nothing, false}}, Zygote.ZBack{ChainRules.var"#fieldtype_pullback#423"}, Zygote.Pullback{Tuple{typeof(convert), 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    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
  [7] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:70 [inlined]
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    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
  [9] #75
    @ ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:91 [inlined]
 [10] ∂f∂x
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:72 [inlined]
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    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:133
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Zygote.var"#2929#back#732"{Zygote.var"#product_pullback#731"{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}}}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#85#90", Nothing, false}}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{PEPSKit.var"#83#88", 1, Tuple{Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}, Tuple{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, Array{Tuple{Matrix{ComplexF64}, Zygote.Pullback{Tuple{PEPSKit.var"#83#88", TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Tuple{Zygote.ZBack{ChainRules.var"#getindex_pullback#1580"{Array{ComplexF64, 4}, Tuple{Colon, Int64, Int64, Colon}, NTuple{4, ChainRulesCore.NoTangent}}}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#convert_pullback#22"{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}}, 3}}}, Zygote.Pullback{Tuple{typeof(map), PEPSKit.var"#86#91", Base.Iterators.Zip{Tuple{Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 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Zygote.ZBack{TensorOperationsChainRulesCoreExt.var"#tensorscalar_pullback#49"{TensorMap{ComplexSpace, 0, 0, Trivial, Matrix{ComplexF64}, Nothing, Nothing}}}, Zygote.Pullback{Tuple{typeof(scalartype), TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Tuple{Zygote.Pullback{Tuple{typeof(scalartype), Type{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(scalartype), Type{Matrix{ComplexF64}}}, Tuple{Zygote.Pullback{Tuple{typeof(scalartype), Type{ComplexF64}}, Tuple{}}}}, Zygote.Pullback{Tuple{typeof(storagetype), Type{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{}}}}, Zygote.ZBack{ChainRules.var"#typeof_pullback#45"}}}, Zygote.Pullback{Tuple{typeof(scalartype), TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Tuple{Zygote.Pullback{Tuple{typeof(scalartype), Type{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(scalartype), Type{Matrix{ComplexF64}}}, 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Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.Pullback{Tuple{typeof(getproperty), Module, Symbol}, Tuple{Zygote.Pullback{Tuple{typeof(getglobal), Module, Symbol}, Tuple{typeof(getglobal)}}}}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#82#87", Nothing, false}}, Zygote.ZBack{ChainRules.var"#axes_pullback#305"}, Zygote.var"#2961#back#750"{Zygote.var"#zip_pullback#749"{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#back#246"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 2, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{PEPSKit.var"#82#87", 1, Tuple{Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}, Tuple{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, Array{Tuple{Matrix{ComplexF64}, Zygote.Pullback{Tuple{PEPSKit.var"#82#87", TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Tuple{Zygote.ZBack{ChainRules.var"#getindex_pullback#1580"{Array{ComplexF64, 4}, Tuple{Colon, Int64, Int64, Colon}, NTuple{4, ChainRulesCore.NoTangent}}}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#convert_pullback#22"{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}}, 3}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.ctmrg_iter), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}}}}}, x::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}})
    @ KrylovKit ~/.julia/packages/KrylovKit/r8GLV/src/apply.jl:2
 [13] linsolve(operator::Function, b::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, x₀::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, alg::KrylovKit.GMRES{KrylovKit.ModifiedGramSchmidt2, Float64}, a₀::Int64, a₁::Int64)
    @ KrylovKit ~/.julia/packages/KrylovKit/r8GLV/src/linsolve/gmres.jl:3
 [14] #linsolve#79
    @ ~/.julia/packages/KrylovKit/r8GLV/src/linsolve/linsolve.jl:104 [inlined]
 [15] linsolve (repeats 2 times)
    @ ~/.julia/packages/KrylovKit/r8GLV/src/linsolve/linsolve.jl:98 [inlined]
 [16] fpgrad(∂F∂x::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, ∂f∂x::PEPSKit.var"#∂f∂x#118"{Zygote.var"#75#76"{Zygote.Pullback{Tuple{PEPSKit.var"#115#116"{CTMRG}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:ctmalg, Zygote.Context{false}, PEPSKit.var"#115#116"{CTMRG}, CTMRG}}, Zygote.Pullback{Tuple{typeof(PEPSKit.gauge_fix), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, 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    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:134
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Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.Pullback{Tuple{typeof(getproperty), Module, Symbol}, Tuple{Zygote.Pullback{Tuple{typeof(getglobal), Module, Symbol}, Tuple{typeof(getglobal)}}}}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:edges, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2214#back#313"{Zygote.Jnew{PEPSKit.var"#82#87", Nothing, false}}, Zygote.ZBack{ChainRules.var"#axes_pullback#305"}, Zygote.var"#2961#back#750"{Zygote.var"#zip_pullback#749"{Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#back#246"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 2, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}}}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{PEPSKit.var"#82#87", 1, Tuple{Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}, Tuple{Tuple{Base.OneTo{Int64}, Base.OneTo{Int64}, Base.OneTo{Int64}}}, Array{Tuple{Matrix{ComplexF64}, Zygote.Pullback{Tuple{PEPSKit.var"#82#87", TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, Tuple{Zygote.ZBack{ChainRules.var"#getindex_pullback#1580"{Array{ComplexF64, 4}, Tuple{Colon, Int64, Int64, Colon}, NTuple{4, ChainRulesCore.NoTangent}}}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#convert_pullback#22"{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}}, 3}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.ctmrg_iter), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}})(Δ::Float64)
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:91
 [20] gradient(::Function, ::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, ::Vararg{Any})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:148
 [21] ctmrg_gradient(x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{LinSolve})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:40
 [22] #113
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:26 [inlined]
 [23] optimize(fg::PEPSKit.var"#113#114"{TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{LinSolve}}, x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, alg::LBFGS{Float64, HagerZhangLineSearch{Rational{Int64}}}; precondition::typeof(OptimKit._precondition), finalize!::typeof(OptimKit._finalize!), retract::Function, inner::typeof(PEPSKit.my_inner), transport!::typeof(OptimKit._transport!), scale!::typeof(OptimKit._scale!), add!::typeof(OptimKit._add!), isometrictransport::Bool)
    @ OptimKit ~/.julia/packages/OptimKit/xpmbV/src/lbfgs.jl:21
 [24] groundsearch(H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{LinSolve}, ψinit::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, envinit::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:25
 [25] top-level scope
    @ ~/repos/PEPSKit.jl/examples/heisenberg.jl:45

…th AbstractInteractions, unroll gauge-fixing explicitly to fix AD, update ctmrg_gradient to be more efficient

pbrehmer · 2024-03-07T13:23:04Z

I now gave the fixedpoint interface a shot and to that end introduced the NLocalOperator struct with an AbstractInteraction type. (I wanted to call it LocalOperator but there is some naming ambiguity with a type from MPSKitModels.) Of course this is not yet perfect so I'm happy about any suggestions or changes to that interface.

With the caveat of shaky gauge-fixing I think this is relatively ready to merge from my side ;)

leburgel · 2024-03-07T13:33:17Z

When I tested differentiating the fixed-point with unit cells Friday and today, I noticed two problems. First, I needed to figure out the gauge-fixing for general unit cells (I think I got this today, but haven't implemented it yet). And second, when doing the naive AD through CTMRG, somehow the adjoint of _setindex of the @diffset macro runs into problems with ZeroTangent --- I haven't understood this yet. I get the following error:

ERROR: MethodError: Cannot `convert` an object of type ChainRulesCore.ZeroTangent to an object of type TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}

Closest candidates are:
  convert(::Type{<:AbstractTensorMap}, ::MPSKit.FiniteMPS)
   @ MPSKit ~/.julia/packages/MPSKit/atykv/src/states/finitemps.jl:235
  convert(::Type{TensorMap{S, N₁, N₂, I, A, F₁, F₂}}, ::AbstractTensorMap{S, N₁, N₂}) where {S, N₁, N₂, I, A, F₁, F₂}
   @ TensorKit ~/.julia/packages/TensorKit/gpuAY/src/tensors/tensor.jl:572
  convert(::Type{T}, ::T) where T
   @ Base Base.jl:64

Stacktrace:
  [1] setindex!(A::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, x::ChainRulesCore.ZeroTangent, i1::Int64)
    @ Base ./array.jl:969
  [2] _unsafe_copyto!(dest::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, doffs::Int64, src::Matrix{Any}, soffs::Int64, n::Int64)
    @ Base ./array.jl:250
  [3] unsafe_copyto!
    @ ./array.jl:304 [inlined]
  [4] _copyto_impl!
    @ ./array.jl:327 [inlined]
  [5] copyto!
    @ ./array.jl:314 [inlined]
  [6] copyto!
    @ ./array.jl:339 [inlined]
  [7] copyto_axcheck!(dest::Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, src::Matrix{Any})
    @ Base ./abstractarray.jl:1182
  [8] Array
    @ ./array.jl:621 [inlined]
  [9] convert
    @ ./array.jl:613 [inlined]
 [10] _setindex_pullback
    @ ~/repos/PEPSKit.jl/src/utility/util.jl:96 [inlined]
 [11] (::Zygote.ZBack{PEPSKit.var"#_setindex_pullback#4"{Matrix{TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}, Tuple{Int64, Int64}}})(dy::Matrix{Union{Nothing, TrivialTensorMap{ComplexSpace, 1, 3, Matrix{ComplexF64}}}})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/chainrules.jl:211
 [12] macro expansion
    @ ~/repos/PEPSKit.jl/src/utility/util.jl:131 [inlined]
 [13] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:219 [inlined]
 [14] (::Zygote.Pullback{Tuple{typeof(PEPSKit.left_move), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [15] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:157 [inlined]
 [16] (::Zygote.Pullback{Tuple{typeof(PEPSKit.ctmrg_iter), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, CTMRG}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [17] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/ctmrg.jl:59 [inlined]
 [18] (::Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any})(Δ::Tuple{NamedTuple{(:corners, :edges), Tuple{Array{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, 3}, Array{TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}, 3}}}, Nothing, Nothing})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [19] Pullback
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:48 [inlined]
 [20] (::Zygote.Pullback{Tuple{typeof(PEPSKit.costfun!), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{3, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}, Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:energyfun, Zygote.Context{false}, PEPSOptimize{NaiveAD}, typeof(PEPSKit.next_neighbor_energy)}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.next_neighbor_energy), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.ZBack{Zygote.var"#real_pullback#350"}, Zygote.ZBack{Zygote.var"#plus_pullback#345"{Tuple{ComplexF64, ComplexF64}}}, Zygote.Pullback{Tuple{typeof(rotl90), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.Pullback{Tuple{typeof(rotl90), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.materialize), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcasted), typeof(rotl90), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcastable), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing, Nothing, Nothing}, Tuple{}}, Zygote.var"#4121#back#1362"{Zygote.var"#∇broadcasted#1373"{Tuple{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Matrix{Tuple{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Zygote.Pullback{Tuple{typeof(rotl90), TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#permute_pullback#49"{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Tuple{Tuple{Int64}, NTuple{4, Int64}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2017#back#204"{typeof(identity)}}}}}, Val{2}}}}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing}, Tuple{}}, Zygote.var"#combine_styles_pullback#1168"{Tuple{Nothing, Nothing}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{typeof(Base.Broadcast.broadcastable), 1, Tuple{Tuple{}}, Tuple{Val{0}}, Tuple{}}}, Zygote.var"#2017#back#204"{typeof(identity)}}}, Zygote.Pullback{Tuple{Type{InfinitePEPS}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:A, Zygote.Context{false}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}, Zygote.ZBack{PEPSKit.var"#pb#3"{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}}}}}}})(Δ::Float64)
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface2.jl:0
 [21] (::Zygote.var"#75#76"{Zygote.Pullback{Tuple{typeof(PEPSKit.costfun!), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, Tuple{Zygote.var"#back#245"{Zygote.var"#2033#back#213"{Zygote.var"#back#211"{3, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}}, Zygote.Pullback{Tuple{typeof(leading_boundary), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRG, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:energyfun, Zygote.Context{false}, PEPSOptimize{NaiveAD}, typeof(PEPSKit.next_neighbor_energy)}}, Zygote.var"#2033#back#213"{Zygote.var"#back#211"{2, 1, Zygote.Context{false}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}}, Zygote.Pullback{Tuple{typeof(PEPSKit.next_neighbor_energy), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.var"#2993#back#768"{Zygote.var"#762#766"{Matrix{ComplexF64}}}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.ZBack{Zygote.var"#real_pullback#350"}, Zygote.ZBack{Zygote.var"#plus_pullback#345"{Tuple{ComplexF64, ComplexF64}}}, Zygote.Pullback{Tuple{typeof(rotl90), CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, Any}, Zygote.Pullback{Tuple{typeof(expectation_value), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}, TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}}, Any}, Zygote.Pullback{Tuple{typeof(rotl90), InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.materialize), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcasted), typeof(rotl90), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{Zygote.Pullback{Tuple{typeof(Base.Broadcast.broadcastable), Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Tuple{}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing, Nothing, Nothing}, Tuple{}}, Zygote.var"#4121#back#1362"{Zygote.var"#∇broadcasted#1373"{Tuple{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Matrix{Tuple{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Zygote.Pullback{Tuple{typeof(rotl90), TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Tuple{Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.ZBack{TensorKitChainRulesCoreExt.var"#permute_pullback#49"{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}, Tuple{Tuple{Int64}, NTuple{4, Int64}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2017#back#204"{typeof(identity)}}}}}, Val{2}}}}}, Zygote.var"#2173#back#293"{Zygote.var"#291#292"{Tuple{Tuple{Nothing}, Tuple{}}, Zygote.var"#combine_styles_pullback#1168"{Tuple{Nothing, Nothing}}}}, Zygote.var"#2017#back#204"{typeof(identity)}, Zygote.var"#2849#back#673"{Zygote.var"#map_back#667"{typeof(Base.Broadcast.broadcastable), 1, Tuple{Tuple{}}, Tuple{Val{0}}, Tuple{}}}, Zygote.var"#2017#back#204"{typeof(identity)}}}, Zygote.Pullback{Tuple{Type{InfinitePEPS}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}, Any}, Zygote.var"#2184#back#303"{Zygote.var"#back#302"{:A, Zygote.Context{false}, InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}, Zygote.ZBack{PEPSKit.var"#pb#3"{Matrix{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}}}}}}}}}})(Δ::Float64)
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:91
 [22] gradient(::Function, ::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, ::Vararg{Any})
    @ Zygote ~/.julia/packages/Zygote/jxHJc/src/compiler/interface.jl:148
 [23] ctmrg_gradient(x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{NaiveAD})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:40
 [24] #103
    @ ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:26 [inlined]
 [25] optimize(fg::PEPSKit.var"#103#104"{TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, CTMRG, PEPSOptimize{NaiveAD}}, x::Tuple{InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}}}, alg::LBFGS{Float64, HagerZhangLineSearch{Rational{Int64}}}; precondition::typeof(OptimKit._precondition), finalize!::typeof(OptimKit._finalize!), retract::Function, inner::typeof(PEPSKit.my_inner), transport!::typeof(OptimKit._transport!), scale!::typeof(OptimKit._scale!), add!::typeof(OptimKit._add!), isometrictransport::Bool)
    @ OptimKit ~/.julia/packages/OptimKit/xpmbV/src/lbfgs.jl:21
 [26] groundsearch(H::TrivialTensorMap{ComplexSpace, 2, 2, Matrix{ComplexF64}}, ctmalg::CTMRG, optalg::PEPSOptimize{NaiveAD}, ψinit::InfinitePEPS{TrivialTensorMap{ComplexSpace, 1, 4, Matrix{ComplexF64}}}, envinit::CTMRGEnv{TrivialTensorMap{ComplexSpace, 1, 1, Matrix{ComplexF64}}, TrivialTensorMap{ComplexSpace, 3, 1, Matrix{ComplexF64}}})
    @ PEPSKit ~/repos/PEPSKit.jl/src/algorithms/peps_opt.jl:25
 [27] top-level scope
    @ ~/repos/PEPSKit.jl/examples/heisenberg.jl:45

Any chance you know what is going on?

Very late to the party, but I also encountered this when messing around with unit cells a while ago and got around it by stupidly commenting out a conversion in the _setindex rrule,
https://github.com/quantumghent/PEPSKit.jl/blob/f96c84f6e863d590e09916925c45f747e7950d33/src/utility/util.jl#L69-L70
Probably no longer relevant if diffset is avoided altogether, but thought I would mention it anyway.

pbrehmer · 2024-03-07T15:37:07Z

Very late to the party, but I also encountered this when messing around with unit cells a while ago and got around it by stupidly commenting out a conversion in the _setindex rrule,

https://github.com/quantumghent/PEPSKit.jl/blob/f96c84f6e863d590e09916925c45f747e7950d33/src/utility/util.jl#L69-L70

Probably no longer relevant if diffset is avoided altogether, but thought I would mention it anyway.

Thanks for the clue! I also tried fiddling around with this a bit but I couldn't get it to work for now.

lkdvos · 2024-03-12T10:44:46Z

I made some changes and seem to have gotten a bit lost and what is/is not supposed to be working. I'll just push what I have, and we can revert if I broke something that was not meant to be broken?

src/utility/util.jl

Co-authored-by: Lander Burgelman <39218680+leburgel@users.noreply.github.com>

pbrehmer · 2024-03-12T17:23:15Z

Thanks for the great additions and refactoring! I checked the code and fixed a few things, so that all the test scripts are runnable again. (test_gradients.jl, test_gauge_fixing.jl and heisenberg.jl should all run and produce sensible results; however, the gradient test sometimes gives weird results for GeomSum and ManualIter, which then also spits out gauge-sensitivity warnings... GMRES seems to be robust against this.)

Note that I commented out the code in ctmrg_gradient.jl since it duplicates things from peps_opt.jl. Of course we can separate the CTMRG gradient stuff to another file, which is fine by me, but the duplication lead to some wrong results. So we either get rid of ctmrg_gradient.jl or we separate all the necessary code to that file. Otherwise, I think this should be mergeable now :-)

lkdvos

I've just added some final small tweaks such that the tests run again, this is good to go for me.

(as a small side note, I've now also set up the branch protection rules for the master branch, so all changes will now require a PR with at least 1 approval)

pbrehmer · 2024-03-14T09:47:58Z

Thanks for the final tweaks! I'll go ahead and delete the branch now.

EDIT: Nevermind, apparently I can't delete the branch, I don't know why though.

lkdvos · 2024-03-14T09:55:16Z

Let me check how the permissions work, the organisation thing throws me off :p
EDIT: I think it should be working now?

pbrehmer · 2024-03-14T10:17:42Z

Let me check how the permissions work, the organisation thing throws me off :p EDIT: I think it should be working now?

Hmm, still can't delete. I will give it a try later on, but otherwise you can probably also delete the branch :p

Refactor CTMRG routines and add PEPSOptimize struct, clean up some bits

c2989cd

pbrehmer requested review from lkdvos and leburgel February 20, 2024 16:21

pbrehmer marked this pull request as draft February 20, 2024 16:32

lkdvos reviewed Feb 21, 2024

View reviewed changes

pbrehmer added 3 commits February 21, 2024 15:48

Fix small things, implement minor remarks

4d66f70

Add gauge-fixing and element-wise convergence check, add function to …

ac2a67e

…get empty projectors

Implement efficient FP differentiation using explicit geometric sum e…

a4736a6

…valuation and manual iteration of linear operator, put optional args in InfinitePEPS constructor first

Add runnable but inefficient LinSolve fpgrad using KrylovKit.linsolve

ab11329

Add test_gradients.jl, change linear solver parameters and initial gu…

daa1dd7

…ess to speed it up

Fix _setindex error, fix rotl90(::CTMRGEnv), add gauge-fixing test sc…

cc8d217

…ript, replace global phase fix by normalizing with sign

Add improved gauge-fixing, remove unnecessary projector arguments

fa64b98

Removed some @diffsets, modify gauge-fix a bit

c544431

Add fixedpoint interface for PEPSOptimize, add NLocalOperator type wi…

3e190cb

…th AbstractInteractions, unroll gauge-fixing explicitly to fix AD, update ctmrg_gradient to be more efficient

pbrehmer marked this pull request as ready for review March 7, 2024 13:17

Fix double computation of environments in ctmrg_gradient

1c52d33

Fix AD problem with rotate_north for non-symmetric unit cells

1816aab

lkdvos added 3 commits March 8, 2024 11:05

Refactor check_elementwise_conv

3f525e8

Add InfinitePEPS constructor with integers

6f14da5

Refactor part of the PEPS optimization

6816fc1

Formatter

a8b019a

leburgel reviewed Mar 12, 2024

View reviewed changes

src/utility/util.jl Outdated Show resolved Hide resolved

pbrehmer and others added 2 commits March 12, 2024 18:16

Fix FP differentiation, comment out duplicate code in ctmrg_gradient.jl

6e3ab2b

Account for block structure in degeneracy check

c13bb72

Co-authored-by: Lander Burgelman <39218680+leburgel@users.noreply.github.com>

lkdvos added 7 commits March 13, 2024 12:06

Delete file with duplicated code

bb58a3e

Add authors and compat entries

3bca3ec

Fix space error when CTMRG spaces are changing

b521854

Add @kwdef import for julia v1.6 support

a0065a0

Add stack for julia < v1.9

a39adbd

Switch to usage of Compat.jl

752c6d1

Add VSCode to gitignore

03f0782

lkdvos approved these changes Mar 13, 2024

View reviewed changes

lkdvos merged commit a24ac36 into master Mar 13, 2024
8 checks passed

leburgel deleted the proper_gradients branch March 14, 2024 11:05

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