Source code for ctm.generic.ctmrg

import time
import torch
from torch.utils.checkpoint import checkpoint
import config as cfg
from ipeps.ipeps import IPEPS
from ctm.generic.env import *
from ctm.generic.ctm_components import *
from ctm.generic.ctm_projectors import *

[docs]def run(state, env, conv_check=None, ctm_args=cfg.ctm_args, global_args=cfg.global_args): r""" :param state: wavefunction :param env: environment :param conv_check: function which determines the convergence of CTM algorithm. If ``None``, the algorithm performs ``ctm_args.ctm_max_iter`` iterations. :param ctm_args: CTM algorithm configuration :param global_args: global configuration :type state: IPEPS :type env: ENV :type conv_check: function(IPEPS,ENV,list[float],CTMARGS)->bool :type ctm_args: CTMARGS :type global_args: GLOBALARGS Executes directional CTM algorithm for generic iPEPS starting from the intial environment ``env``. TODO add reference """ # 0) Create double-layer (DL) tensors, preserving the same convenction # for order of indices # # / / # --A^dag-- = --a-- # /| / # |/ # --A-- # / # sitesDL=dict() for coord,A in state.sites.items(): dimsA = A.size() a = torch.einsum('mefgh,mabcd->eafbgchd',(A,A)).contiguous().view(dimsA[1]**2,\ dimsA[2]**2, dimsA[3]**2, dimsA[4]**2) sitesDL[coord]=a stateDL = IPEPS(sitesDL,state.vertexToSite) # 1) perform CTMRG t_obs=t_ctm=0. history=None for i in range(ctm_args.ctm_max_iter): t0_ctm= time.perf_counter() for direction in ctm_args.ctm_move_sequence: ctm_MOVE(direction, stateDL, env, ctm_args=ctm_args, global_args=global_args, verbosity=ctm_args.verbosity_ctm_move) t1_ctm= time.perf_counter() t0_obs= time.perf_counter() if conv_check is not None: # evaluate convergence of the CTMRG procedure converged, history = conv_check(state, env, history, ctm_args=ctm_args) if ctm_args.verbosity_ctm_convergence>1: print(history[-1]) if converged: if ctm_args.verbosity_ctm_convergence>0: print(f"CTMRG converged at iter= {i}, history= {history[-1]}") break t1_obs= time.perf_counter() t_ctm+= t1_ctm-t0_ctm t_obs+= t1_obs-t0_obs return env, history, t_ctm, t_obs
# performs CTM move in one of the directions # [Up=(0,-1), Left=(-1,0), Down=(0,1), Right=(1,0)] def ctm_MOVE(direction, state, env, ctm_args=cfg.ctm_args, global_args=cfg.global_args, verbosity=0): # select projector function if ctm_args.projector_method=='4X4': ctm_get_projectors=ctm_get_projectors_4x4 elif ctm_args.projector_method=='4X2': ctm_get_projectors=ctm_get_projectors_4x2 else: raise ValueError("Invalid Projector method: "+str(ctm_args.projector_method)) # EXPERIMENTAL # 0) extract raw tensors as tuple tensors= tuple(state.sites[key] for key in state.sites.keys()) \ + tuple(env.C[key] for key in env.C.keys()) + tuple(env.T[key] for key in env.T.keys()) # function wrapping up the core of the CTM MOVE segment of CTM algorithm def ctm_MOVE_c(*tensors): # 1) wrap raw tensors back into IPEPS and ENV classes sites_loc= dict(zip(state.sites.keys(),tensors[0:len(state.sites)])) state_loc= IPEPS(sites_loc, vertexToSite=state.vertexToSite) env_loc= ENV(env.chi) env_loc.C= dict(zip(env.C.keys(),tensors[len(state.sites):len(state.sites)+len(env.C)])) env_loc.T= dict(zip(env.T.keys(),tensors[len(state.sites)+len(env.C):])) # Loop over all non-equivalent sites of ipeps # and compute projectors P(coord), P^tilde(coord) P = dict() Pt = dict() for coord,site in state_loc.sites.items(): # TODO compute isometries P[coord], Pt[coord] = ctm_get_projectors(direction, coord, state_loc, env_loc, ctm_args, global_args) if verbosity>0: print("P,Pt RIGHT "+str(coord)+" P: "+str(P[coord].size())+" Pt: "+str(Pt[coord].size())) if verbosity>1: print(P[coord]) print(Pt[coord]) # Loop over all non-equivalent sites of ipeps # and perform absorption and truncation nC1 = dict() nC2 = dict() nT = dict() for coord in state_loc.sites.keys(): if direction==(0,-1): nC1[coord], nC2[coord], nT[coord] = absorb_truncate_CTM_MOVE_UP(coord, state_loc, env_loc, P, Pt) elif direction==(-1,0): nC1[coord], nC2[coord], nT[coord] = absorb_truncate_CTM_MOVE_LEFT(coord, state_loc, env_loc, P, Pt) elif direction==(0,1): nC1[coord], nC2[coord], nT[coord] = absorb_truncate_CTM_MOVE_DOWN(coord, state_loc, env_loc, P, Pt) elif direction==(1,0): nC1[coord], nC2[coord], nT[coord] = absorb_truncate_CTM_MOVE_RIGHT(coord, state_loc, env_loc, P, Pt) else: raise ValueError("Invalid direction: "+str(direction)) # 2) Return raw new tensors # ret_list= tuple([nC1[key] for key in nC1.keys()] + [nC2[key] for key in nC2.keys()] \ # + [nT[key] for key in nT.keys()]) ret_list= tuple(nC1[key] for key in nC1.keys()) + tuple(nC2[key] for key in nC2.keys()) \ + tuple(nT[key] for key in nT.keys()) return ret_list # Call the core function, allowing for checkpointing if ctm_args.fwd_checkpoint_move: new_tensors= checkpoint(ctm_MOVE_c,*tensors) else: new_tensors= ctm_MOVE_c(*tensors) # 3) warp the returned raw tensor in dictionary tmp_coords= state.sites.keys() count_coord= len(tmp_coords) nC1 = dict(zip(tmp_coords, new_tensors[0:count_coord])) nC2 = dict(zip(tmp_coords, new_tensors[count_coord:2*count_coord])) nT = dict(zip(tmp_coords, new_tensors[2*count_coord:])) # Assign new nC1,nT,nC2 to appropriate environment tensors rel_CandT_vecs = dict() # specify relative vectors identifying the environment tensors # with respect to the direction if direction==(0,-1): rel_CandT_vecs = {"nC1": (1,-1), "nC2": (-1,-1), "nT": direction} elif direction==(-1,0): rel_CandT_vecs = {"nC1": (-1,-1), "nC2": (-1,1), "nT": direction} elif direction==(0,1): rel_CandT_vecs = {"nC1": (-1,1), "nC2": (1,1), "nT": direction} elif direction==(1,0): rel_CandT_vecs = {"nC1": (1,1), "nC2": (1,-1), "nT": direction} else: raise ValueError("Invalid direction: "+str(direction)) for coord,site in state.sites.items(): new_coord = state.vertexToSite((coord[0]-direction[0], coord[1]-direction[1])) # print("coord: "+str(coord)+" + "+str(direction)+" -> "+str(new_coord)) env.C[(new_coord,rel_CandT_vecs["nC1"])] = nC1[coord] env.C[(new_coord,rel_CandT_vecs["nC2"])] = nC2[coord] env.T[(new_coord,rel_CandT_vecs["nT"])] = nT[coord] ##################################################################### # functions performing absorption and truncation step ##################################################################### def absorb_truncate_CTM_MOVE_UP(coord, state, env, P, Pt, verbosity=0): vec = (1,0) coord_shift_right = state.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) tensors= env.C[(coord,(1,-1))], env.T[(coord,(1,0))], env.T[(coord,(0,-1))], \ env.T[(coord,(-1,0))], env.C[(coord,(-1,-1))], state.site(coord), \ P[coord].view(env.chi,state.site(coord).size()[3],env.chi), \ Pt[coord].view(env.chi,state.site(coord).size()[1],env.chi), \ P[coord_shift_right].view(env.chi,state.site(coord).size()[3],env.chi), \ Pt[coord_shift_right].view(env.chi,state.site(coord).size()[1],env.chi) if cfg.ctm_args.fwd_checkpoint_absorb: return checkpoint(absorb_truncate_CTM_MOVE_UP_c,*tensors) else: return absorb_truncate_CTM_MOVE_UP_c(*tensors) def absorb_truncate_CTM_MOVE_UP_c(*tensors): C1, T1, T, T2, C2, A, P2, Pt2, P1, Pt1= tensors # 0--C1 # 1 # 0 # 1--T1 # 2 nC1 = torch.tensordot(C1,T1,([1],[0])) # --0 0--C1 # | | # 0<-2--Pt1 | # | | # --1 1--T1 # 2->1 nC1 = torch.tensordot(Pt1, nC1,([0,1],[0,1])) # C2--1->0 # 0 # 0 # T2--2 # 1 nC2 = torch.tensordot(C2, T2,([0],[0])) # C2--0 0-- # | | # | P2--2->1 # | | # T2--2 1-- # 1->0 nC2 = torch.tensordot(nC2, P2,([0,2],[0,1])) # --0 0--T--2->3 # | 1->2 # 1<-2--Pt2 # | # --1->0 nT = torch.tensordot(Pt2, T, ([0],[0])) # -------T--3->1 # | 2 # 0<-1--Pt2 | # | 0 # --0 1--A--3 # 2 nT = torch.tensordot(nT, A,([0,2],[1,0])) # -------T--1 0-- # | | | # 0--Pt2 | P1--2 # | | | # -------A--3 1-- # 2->1 nT = torch.tensordot(nT, P1,([1,3],[0,1])) nT = nT.contiguous() # Assign new C,T # # C(coord,(-1,-1))-- --T(coord,(0,-1))-- --C(coord,(1,-1)) # | P2-- --Pt2 | P1-- -Pt1 | # T(coord,(-1,0))--- --A(coord)--------- --T(coord,(1,0)) # | | | # # => # # C^new(coord+(0,1),(-1,-1))-- --T^new(coord+(0,1),(0,-1))-- --C^new(coord+(0,1),(1,-1)) # | | | # vec = (0,1) # new_coord = ipeps.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) # print("coord: "+str(coord)+" + "+str(vec)+" -> "+str(new_coord)) # env.C[(new_coord,(1,-1))] = nC1/torch.max(torch.abs(nC1)) # env.C[(new_coord,(-1,-1))] = nC2/torch.max(torch.abs(nC2)) # env.T[(new_coord,(0,-1))] = nT/torch.max(torch.abs(nT)) nC1 = nC1/torch.max(torch.abs(nC1)) nC2 = nC2/torch.max(torch.abs(nC2)) nT = nT/torch.max(torch.abs(nT)) return nC1, nC2, nT def absorb_truncate_CTM_MOVE_LEFT(coord, state, env, P, Pt, verbosity=0): vec = (0,-1) coord_shift_up = state.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) tensors = env.C[(coord,(-1,-1))], env.T[(coord,(0,-1))], env.T[(coord,(-1,0))], \ env.T[(coord,(0,1))], env.C[(coord,(-1,1))], state.site(coord), \ P[coord].view(env.chi,state.site(coord).size()[0],env.chi), \ Pt[coord].view(env.chi,state.site(coord).size()[2],env.chi), \ P[coord_shift_up].view(env.chi,state.site(coord).size()[0],env.chi), \ Pt[coord_shift_up].view(env.chi,state.site(coord).size()[2],env.chi) if cfg.ctm_args.fwd_checkpoint_absorb: return checkpoint(absorb_truncate_CTM_MOVE_LEFT_c,*tensors) else: return absorb_truncate_CTM_MOVE_LEFT_c(*tensors) def absorb_truncate_CTM_MOVE_LEFT_c(*tensors): C1, T1, T, T2, C2, A, P2, Pt2, P1, Pt1= tensors # C1--1 0--T1--2 # | | # 0 1 nC1 = torch.tensordot(C1,T1,([1],[0])) # C1--1 0--T1--2->1 # | | # 0 1 # 0 1 # |___Pt1__| # 2->0 nC1 = torch.tensordot(Pt1, nC1,([0,1],[0,1])) # 0 0->1 # C2--1 1--T2--2 nC2 = torch.tensordot(C2, T2,([1],[1])) # 2->0 # ___P2___ # 0 1 # 0 1 # C2-----T2--2->1 nC2 = torch.tensordot(P2, nC2,([0,1],[0,1])) # 2->1 # ___P1__ # 0 1->0 # 0 # T--2->3 # 1->2 nT = torch.tensordot(P1, T,([0],[0])) # 1->0 # ___P1____ # | 0 # | 0 # T--3 1--A--3 # 2->1 2 nT = torch.tensordot(nT, A,([0,3],[0,1])) # 0 # ___P1___ # | | # | | # T-------A--3->1 # 1 2 # 0 1 # |___Pt2_| # 2 nT = torch.tensordot(nT, Pt2,([1,2],[0,1])) nT = nT.permute(0,2,1).contiguous() # Assign new C,T # # C(coord,(-1,-1))--T(coord,(0,-1))-- => C^new(coord+(1,0),(-1,-1))-- # |________ ______| | # Pt1 # | # # | # _________P1______ # | | | # T(coord,(-1,0))--A(coord)-- T^new(coord+(1,0),(-1,0))-- # |________ _____| | # Pt2 # | # # | # ________P2_______ # | | | # C(coord,(-1,1))--T(coord,(0,1))-- C^new(coord+(1,0),(-1,1)) # vec = (1,0) # new_coord = ipeps.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) # print("coord: "+str(coord)+" + "+str(vec)+" -> "+str(new_coord)) # env.C[(new_coord,(-1,-1))] = nC1/torch.max(torch.abs(nC1)) # env.C[(new_coord,(-1,1))] = nC2/torch.max(torch.abs(nC2)) # env.T[(new_coord,(-1,0))] = nT/torch.max(torch.abs(nT)) nC1 = nC1/torch.max(torch.abs(nC1)) nC2 = nC2/torch.max(torch.abs(nC2)) nT = nT/torch.max(torch.abs(nT)) return nC1, nC2, nT def absorb_truncate_CTM_MOVE_DOWN(coord, state, env, P, Pt, verbosity=0): vec = (-1,0) coord_shift_left = state.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) tensors= env.C[(coord,(-1,1))], env.T[(coord,(-1,0))], env.T[(coord,(0,1))], \ env.T[(coord,(1,0))], env.C[(coord,(1,1))], state.site(coord), \ P[coord].view(env.chi,state.site(coord).size()[1],env.chi), \ Pt[coord].view(env.chi,state.site(coord).size()[3],env.chi), \ P[coord_shift_left].view(env.chi,state.site(coord).size()[1],env.chi), \ Pt[coord_shift_left].view(env.chi,state.site(coord).size()[3],env.chi) if cfg.ctm_args.fwd_checkpoint_absorb: return checkpoint(absorb_truncate_CTM_MOVE_DOWN_c,*tensors) else: return absorb_truncate_CTM_MOVE_DOWN_c(*tensors) def absorb_truncate_CTM_MOVE_DOWN_c(*tensors): C1, T1, T, T2, C2, A, P2, Pt2, P1, Pt1= tensors # 0->1 # T1--2->2 # 1 # 0 # C1--1->0 nC1 = torch.tensordot(C1,T1,([0],[1])) # 1->0 # T1--2 1-- # | | # | Pt1--2->1 # | | # C1--0 0-- nC1 = torch.tensordot(nC1, Pt1, ([0,2],[0,1])) # 1<-0 # 2<-1--T2 # 2 # 0 # 0<-1--C2 nC2 = torch.tensordot(C2, T2,([0],[2])) # 0<-1 # --1 2--T2 # | | # 1<-2--P2 | # | | # --0 0--C2 nC2 = torch.tensordot(nC2, P2, ([0,2],[0,1])) # --1->0 # | # 1<-2--P1 # | 0->2 # --0 1--T--2->3 nT = torch.tensordot(P1, T, ([0],[1])) # 0->2 # --0 1--A--3 # | 2 # 0<-1--P1 | # | 2 # -------T--3->1 nT = torch.tensordot(nT, A,([0,2],[1,2])) # 2->1 # -------A--3 1-- # | | | # 0--P1 | Pt2--2 # | | | # -------T--1 0-- nT = torch.tensordot(nT, Pt2,([1,3],[0,1])) nT = nT.permute(1,0,2).contiguous() # Assign new C,T # # | | | # T(coord,(-1,0))-- --A(coord)-------- --T(coord,(1,0)) # | Pt1-- --P1 | Pt2-- --P2 | # C(coord,(-1,1))-- --T(coord,(0,1))-- --C(coord,(1,1)) # # => # # | | | # C^new(coord+(0,-1),(-1,1))-- --T^new(coord+(0,-1),(0,1))-- --C^new(coord+(0,-1),(1,1)) # vec = (0,-1) # new_coord = ipeps.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) # print("coord: "+str(coord)+" + "+str(vec)+" -> "+str(new_coord)) # env.C[(new_coord,(-1,1))] = nC1/torch.max(torch.abs(nC1)) # env.C[(new_coord,(1,1))] = nC2/torch.max(torch.abs(nC2)) # env.T[(new_coord,(0,1))] = nT/torch.max(torch.abs(nT)) nC1 = nC1/torch.max(torch.abs(nC1)) nC2 = nC2/torch.max(torch.abs(nC2)) nT = nT/torch.max(torch.abs(nT)) return nC1, nC2, nT def absorb_truncate_CTM_MOVE_RIGHT(coord, state, env, P, Pt, verbosity=0): vec = (0,1) coord_shift_down = state.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) tensors= env.C[(coord,(1,1))], env.T[(coord,(0,1))], env.T[(coord,(1,0))], \ env.T[(coord,(0,-1))], env.C[(coord,(1,-1))], state.site(coord), \ P[coord].view(env.chi,state.site(coord).size()[2],env.chi), \ Pt[coord].view(env.chi,state.site(coord).size()[0],env.chi), \ P[coord_shift_down].view(env.chi,state.site(coord).size()[2],env.chi), \ Pt[coord_shift_down].view(env.chi,state.site(coord).size()[0],env.chi) if cfg.ctm_args.fwd_checkpoint_absorb: return checkpoint(absorb_truncate_CTM_MOVE_RIGHT_c,*tensors) else: return absorb_truncate_CTM_MOVE_RIGHT_c(*tensors) def absorb_truncate_CTM_MOVE_RIGHT_c(*tensors): C1, T1, T, T2, C2, A, P2, Pt2, P1, Pt1= tensors # 0->1 0 # 2<-1--T1--2 1--C1 nC1 = torch.tensordot(C1, T1,([1],[2])) # 2->0 # __Pt1_ # 1 0 # 1 0 # 1<-2--T1----C1 nC1 = torch.tensordot(Pt1, nC1,([0,1],[0,1])) # 1<-0--T2--2 0--C2 # 2<-1 0<-1 nC2 = torch.tensordot(C2,T2,([0],[2])) # 0<-1--T2----C2 # 2 0 # 1 0 # |__P2_| # 2->1 nC2 = torch.tensordot(nC2, P2,([0,2],[0,1])) # 1<-2 # ___Pt2__ # 0<-1 0 # 0 # 2<-1--T # 3<-2 nT = torch.tensordot(Pt2, T,([0],[0])) # 0<-1 # ___Pt2__ # 0 | # 0 | # 2<-1--A--3 2--T # 3<-2 1<-3 nT = torch.tensordot(nT, A,([0,2],[0,3])) # 0 # ___Pt2__ # | | # | | # 1<-2--A-------T # 3 1 # 1 0 # |___P1__| # 2 nT = torch.tensordot(nT, P1,([1,3],[0,1])) nT = nT.contiguous() # Assign new C,T # # --T(coord,(0,-1))--C(coord,(1,-1)) =>--C^new(coord+(-1,0),(1,-1)) # |______ ________| | # P2 # | # # | # ______Pt2 # | | | # --A(coord)--T(coord,(1,0)) --T^new(coord+(-1,0),(1,0)) # |______ _| | # P1 # | # # | # ______Pt1______ # | | | # --T(coord,(0,1))--C(coord,(1,1)) --C^new(coord+(-1,0),(1,1)) # vec = (-1,0) # new_coord = ipeps.vertexToSite((coord[0]+vec[0], coord[1]+vec[1])) # print("coord: "+str(coord)+" + "+str(vec)+" -> "+str(new_coord)) # env.C[(new_coord,(1,1))] = nC1/torch.max(torch.abs(nC1)) # env.C[(new_coord,(1,-1))] = nC2/torch.max(torch.abs(nC2)) # env.T[(new_coord,(1,0))] = nT/torch.max(torch.abs(nT)) nC1 = nC1/torch.max(torch.abs(nC1)) nC2 = nC2/torch.max(torch.abs(nC2)) nT = nT/torch.max(torch.abs(nT)) return nC1, nC2, nT