CompatHelper: bump compat for OptimKit to 0.4, (keep existing compat)

Project.toml

@@ -34,7 +34,7 @@ LoggingExtras = "1"
 MPSKit = "0.12"
 MPSKitModels = "0.4"
 OhMyThreads = "0.7"
-OptimKit = "0.3"
+OptimKit = "0.3, 0.4"
 Printf = "1"
 QuadGK = "2.11.1"
 Random = "1"

README.md

@@ -47,7 +47,7 @@ chi = 20
 ctm_alg = SimultaneousCTMRG(; tol=1e-10, trscheme=truncdim(chi))
 opt_alg = PEPSOptimize(;
     boundary_alg=ctm_alg,
-    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=2),
+    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=3),
     gradient_alg=LinSolver(),
     reuse_env=true,
 )

docs/src/index.md

@@ -29,7 +29,7 @@ chi = 20
 ctm_alg = SimultaneousCTMRG(; tol=1e-10, trscheme=truncdim(chi))
 opt_alg = PEPSOptimize(;
     boundary_alg=ctm_alg,
-    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=2),
+    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=3),
     gradient_alg=LinSolver(),
     reuse_env=true,
 )

examples/heisenberg.jl

@@ -14,7 +14,7 @@ H = heisenberg_XYZ(InfiniteSquare(); Jx=-1, Jy=1, Jz=-1)
 ctm_alg = SimultaneousCTMRG(; tol=1e-10, verbosity=2)
 opt_alg = PEPSOptimize(;
     boundary_alg=ctm_alg,
-    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=2),
+    optimizer=LBFGS(4; maxiter=100, gradtol=1e-4, verbosity=3),
     gradient_alg=LinSolver(; solver=GMRES(; tol=1e-6, maxiter=100)),
     reuse_env=true,
 )

src/PEPSKit.jl

@@ -76,7 +76,7 @@ include("utility/symmetrization.jl")
         const ctmrg_alg = SimultaneousCTMRG(
             ctmrg_tol, ctmrg_maxiter, ctmrg_miniter, 2, projector_alg
         )
-        const optimizer = LBFGS(32; maxiter=100, gradtol=1e-4, verbosity=2)
+        const optimizer = LBFGS(32; maxiter=100, gradtol=1e-4, verbosity=3)
         const gradient_linsolver = KrylovKit.BiCGStab(;
             maxiter=Defaults.fpgrad_maxiter, tol=Defaults.fpgrad_tol
         )
@@ -130,7 +130,7 @@ module Defaults
     const ctmrg_alg = SimultaneousCTMRG(
         ctmrg_tol, ctmrg_maxiter, ctmrg_miniter, 2, projector_alg
     )
-    const optimizer = LBFGS(32; maxiter=100, gradtol=1e-4, verbosity=2)
+    const optimizer = LBFGS(32; maxiter=100, gradtol=1e-4, verbosity=3)
     const gradient_linsolver = KrylovKit.BiCGStab(;
         maxiter=Defaults.fpgrad_maxiter, tol=Defaults.fpgrad_tol
     )

test/heisenberg.jl

@@ -11,7 +11,7 @@ Dbond = 2
 χenv = 16
 ctm_alg = SimultaneousCTMRG()
 opt_alg = PEPSOptimize(;
-    boundary_alg=ctm_alg, optimizer=LBFGS(4; gradtol=1e-3, verbosity=2)
+    boundary_alg=ctm_alg, optimizer=LBFGS(4; gradtol=1e-3, verbosity=3)
 )
 # compare against Juraj Hasik's data:
 # https://github.com/jurajHasik/j1j2_ipeps_states/blob/main/single-site_pg-C4v-A1/j20.0/state_1s_A1_j20.0_D2_chi_opt48.dat

test/j1j2_model.jl

@@ -11,7 +11,7 @@ using OptimKit
 ctm_alg = SimultaneousCTMRG()
 opt_alg = PEPSOptimize(;
     boundary_alg=ctm_alg,
-    optimizer=LBFGS(4; gradtol=1e-3, verbosity=2),
+    optimizer=LBFGS(4; gradtol=1e-3, verbosity=3),
     gradient_alg=LinSolver(; iterscheme=:diffgauge),
 )
 

test/pwave.jl

@@ -12,7 +12,7 @@ H = pwave_superconductor(InfiniteSquare(unitcell...))
 χenv = 16
 ctm_alg = SimultaneousCTMRG(; maxiter=150)
 opt_alg = PEPSOptimize(;
-    boundary_alg=ctm_alg, optimizer=LBFGS(4; maxiter=10, gradtol=1e-3, verbosity=2)
+    boundary_alg=ctm_alg, optimizer=LBFGS(4; maxiter=10, gradtol=1e-3, verbosity=3)
 )
 
 # initialize states

test/sandbox.jl

@@ -0,0 +1,126 @@
+using Test
+using Random
+using TensorKit
+using KrylovKit
+using LineSearches, Manifolds, Manopt
+using PEPSKit
+
+##
+using KrylovKit
+using TensorKit
+using PEPSKit
+
+Dbond = 2
+χenv = 16
+svd_alg = SVDAdjoint(; fwd_alg=IterSVD(; alg=GKL(; tol=1e-10)))
+ctmrg_alg = SimultaneousCTMRG(; svd_alg)
+ψ = InfinitePEPS(2, Dbond)
+env = leading_boundary(CTMRGEnv(ψ, ℂ^χenv), ψ, ctmrg_alg);
+
+##
+# initialize parameters
+Dbond = 2
+χenv = 16
+# ctm_alg = SequentialCTMRG()
+# opt_alg = PEPSOptimize(; boundary_alg=ctm_alg, tol=1e-3, gradient_alg=LinSolver(; solver=GMRES(; tol=1e-4), iterscheme=:diffgauge))
+ctm_alg = SimultaneousCTMRG()
+opt_alg = PEPSOptimize(; boundary_alg=ctm_alg, tol=1e-3)
+# compare against Juraj Hasik's data:
+# https://github.com/jurajHasik/j1j2_ipeps_states/blob/main/single-site_pg-C4v-A1/j20.0/state_1s_A1_j20.0_D2_chi_opt48.dat
+E_ref = -0.6602310934799577
+
+# initialize states
+Random.seed!(123)
+H = heisenberg_XYZ(InfiniteSquare())
+psi_init = InfinitePEPS(2, Dbond)
+env_init, = leading_boundary(CTMRGEnv(psi_init, ComplexSpace(χenv)), psi_init, ctm_alg)
+
+# optimize energy and compute correlation lengths
+peps, env, E, = fixedpoint(psi_init, H, opt_alg, env_init);
+ξ_h, ξ_v, = correlation_length(peps, env)
+
+@test E ≈ E_ref atol = 1e-2
+@test all(@. ξ_h > 0 && ξ_v > 0)
+
+##
+g = 3.1
+e = -1.6417 * 2
+mˣ = 0.91
+
+# initialize parameters
+χbond = 2
+χenv = 16
+ctm_alg = SimultaneousCTMRG()
+opt_alg = PEPSOptimize(;
+    boundary_alg=ctm_alg,
+    tol=1e-3,
+    # stepsize=WolfePowellBinaryLinesearch(),
+    # stepsize=Manopt.LineSearchesStepsize(LineSearches.HagerZhang(; alphamax=1.0)),
+    # stepsize=ConstantLength(1.0),
+    # stepsize=WolfePowellLinesearch(),
+    # stepsize=WolfePowellLinesearch(; sufficient_decrease=0.1, sufficient_curvature=0.9),
+    # direction_update=InverseBroyden(1.0),
+    # cautious_update=true,
+)
+
+# initialize states
+H = transverse_field_ising(InfiniteSquare(); g)
+H_polar = transverse_field_ising(InfiniteSquare(); g=4.5)
+Random.seed!(91283219347)
+psi_init = InfinitePEPS(2, χbond)
+env_init, = leading_boundary(CTMRGEnv(psi_init, ComplexSpace(χenv)), psi_init, ctm_alg)
+
+# find fixedpoint
+peps, env, E, = fixedpoint(psi_init, H, opt_alg, env_init);
+# peps_polar, env_polar, E_polar, = fixedpoint(psi_init, H_polar, opt_alg, env_init);
+
+##
+χbond = 2
+χenv = 12
+ctm_alg = SimultaneousCTMRG()
+opt_alg = PEPSOptimize(;
+    boundary_alg=ctm_alg,
+    tol=1e-3,
+    gradient_alg=LinSolver(; iterscheme=:diffgauge),
+    symmetrization=RotateReflect(),
+)
+
+# initialize states
+Random.seed!(91283219347)
+H = j1_j2(InfiniteSquare(); J2=0.25)
+psi_init = product_peps(2, χbond; noise_amp=1e-1)
+psi_init = symmetrize!(psi_init, RotateReflect())
+env_init, = leading_boundary(CTMRGEnv(psi_init, ComplexSpace(χenv)), psi_init, ctm_alg);
+
+# find fixedpoint
+result = fixedpoint(psi_init, H, opt_alg, env_init)
+
+##
+unitcell = (2, 2)
+H = pwave_superconductor(InfiniteSquare(unitcell...))
+Dbond = 2
+χenv = 16
+ctm_alg = SimultaneousCTMRG()
+opt_alg = PEPSOptimize(;
+    boundary_alg=ctm_alg,
+    maxiter=10,
+    gradient_alg=LinSolver(; iterscheme=:diffgauge),
+    # stepsize=WolfePowellLinesearch(),
+    stepsize=ConstantLength(1.5),
+    memory_size=4,
+)
+
+# initialize states
+Pspace = Vect[FermionParity](0 => 1, 1 => 1)
+Vspace = Vect[FermionParity](0 => Dbond ÷ 2, 1 => Dbond ÷ 2)
+Envspace = Vect[FermionParity](0 => χenv ÷ 2, 1 => χenv ÷ 2)
+Random.seed!(91283219347)
+psi_init = InfinitePEPS(Pspace, Vspace, Vspace; unitcell)
+env_init, = leading_boundary(CTMRGEnv(psi_init, Envspace), psi_init, ctm_alg);
+
+# find fixedpoint
+peps, env, E, = fixedpoint(psi_init, H, opt_alg, env_init);
+@show E / 4
+
+# comparison with Gaussian PEPS minimum at D=2 on 1000x1000 square lattice with aPBC
+@test E / prod(size(psi_init)) ≈ -2.6241 atol = 5e-2

test/tf_ising.jl

@@ -21,12 +21,12 @@ mˣ = 0.91
 χenv = 16
 ctm_alg = SimultaneousCTMRG()
 opt_alg = PEPSOptimize(;
-    boundary_alg=ctm_alg, optimizer=LBFGS(4; gradtol=1e-3, verbosity=2)
+    boundary_alg=ctm_alg, optimizer=LBFGS(4; gradtol=1e-3, verbosity=3)
 )
 
 # initialize states
 H = transverse_field_ising(InfiniteSquare(); g)
-Random.seed!(91283219347)
+Random.seed!(2928528935)
 psi_init = InfinitePEPS(2, χbond)
 env_init = leading_boundary(CTMRGEnv(psi_init, ComplexSpace(χenv)), psi_init, ctm_alg)