from cuquantum import contract, contract_path, CircuitToEinsum, tensor class MPSContractionHelper: """ A helper class to compute various quantities for a given MPS. Interleaved format is used to construct the input args for `cuquantum.contract`. A concrete example on how the modes are populated for a 7-site MPS is provided below: 0 2 4 6 8 10 12 14 bra -----A-----B-----C-----D-----E-----F-----G----- | | | | | | | 1| 3| 5| 7| 9| 11| 13| | | | | | | | ket -----a-----b-----c-----d-----e-----f-----g----- 15 16 17 18 19 20 21 22 The follwing compute quantities are supported: - the norm of the MPS. - the equivalent state vector from the MPS. - the expectation value for a given operator. - the equivalent state vector after multiplying an MPO to an MPS. Note that for the nth MPS tensor (rank-3), the modes of the tensor are expected to be `(i,p,j)` where i denotes the bonding mode with the (n-1)th tensor, p denotes the physical mode for the qubit and j denotes the bonding mode with the (n+1)th tensor. Args: num_qubits: The number of qubits for the MPS. """ def __init__(self, num_qubits): self.num_qubits = num_qubits self.path_cache = {} self.bra_modes = [(2*i, 2*i+1, 2*i+2) for i in range(num_qubits)] offset = 2*num_qubits+1 self.ket_modes = [(i+offset, 2*i+1, i+1+offset) for i in range(num_qubits)] def contract_norm(self, mps_tensors, options=None): """ Contract the corresponding tensor network to form the norm of the MPS. Args: mps_tensors: A list of rank-3 ndarray-like tensor objects. The indices of the ith tensor are expected to be bonding index to the i-1 tensor, the physical mode, and then the bonding index to the i+1th tensor. options: Specify the contract and decompose options. Returns: The norm of the MPS. """ interleaved_inputs = [] for i, o in enumerate(mps_tensors): interleaved_inputs.extend([o, self.bra_modes[i], o.conj(), self.ket_modes[i]]) interleaved_inputs.append([]) # output return self._contract('norm', interleaved_inputs, options=options).real def contract_state_vector(self, mps_tensors, options=None): """ Contract the corresponding tensor network to form the state vector representation of the MPS. Args: mps_tensors: A list of rank-3 ndarray-like tensor objects. The indices of the ith tensor are expected to be bonding index to the i-1 tensor, the physical mode, and then the bonding index to the i+1th tensor. options: Specify the contract and decompose options. Returns: An ndarray-like object as the state vector. """ interleaved_inputs = [] for i, o in enumerate(mps_tensors): interleaved_inputs.extend([o, self.bra_modes[i]]) output_modes = tuple([bra_modes[1] for bra_modes in self.bra_modes]) interleaved_inputs.append(output_modes) # output return self._contract('sv', interleaved_inputs, options=options) def contract_expectation(self, mps_tensors, operator, qubits, options=None, normalize=False): """ Contract the corresponding tensor network to form the state vector representation of the MPS. Args: mps_tensors: A list of rank-3 ndarray-like tensor objects. The indices of the ith tensor are expected to be bonding index to the i-1 tensor, the physical mode, and then the bonding index to the i+1th tensor. operator: A ndarray-like tensor object. The modes of the operator are expected to be output qubits followed by input qubits, e.g, ``A, B, a, b`` where `a, b` denotes the inputs and `A, B'` denotes the outputs. qubits: A sequence of integers specifying the qubits that the operator is acting on. options: Specify the contract and decompose options. normalize: Whether to scale the expectation value by the normalization factor. Returns: An ndarray-like object as the state vector. """ interleaved_inputs = [] extra_mode = 3 * self.num_qubits + 2 operator_modes = [None] * len(qubits) + [self.bra_modes[q][1] for q in qubits] qubits = [q for q in qubits] for i, o in enumerate(mps_tensors): interleaved_inputs.extend([o, self.bra_modes[i]]) k_modes = self.ket_modes[i] if i in qubits: k_modes = (k_modes[0], extra_mode, k_modes[2]) q = qubits.index(i) operator_modes[q] = extra_mode # output modes extra_mode += 1 interleaved_inputs.extend([o.conj(), k_modes]) interleaved_inputs.extend([operator, tuple(operator_modes)]) interleaved_inputs.append([]) # output if normalize: norm = self.contract_norm(mps_tensors, options=options) else: norm = 1 return self._contract(f'exp{qubits}', interleaved_inputs, options=options) / norm def _contract(self, key, interleaved_inputs, options=None): """ Perform the contraction task given interleaved inputs. Path will be cached. """ if key not in self.path_cache: self.path_cache[key] = contract_path(*interleaved_inputs, options=options)[0] path = self.path_cache[key] return contract(*interleaved_inputs, options=options, optimize={'path':path})