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index 4402152..0000000 Binary files a/bp_tests/Powell_11q_20l_1/loss_Energy history.pdf and /dev/null differ diff --git a/bp_tests/Powell_11q_20l_1/optimization_results.json b/bp_tests/Powell_11q_20l_1/optimization_results.json deleted file mode 100644 index 6eca902..0000000 --- a/bp_tests/Powell_11q_20l_1/optimization_results.json +++ /dev/null @@ -1,24 +0,0 @@ -{ - "backend": "numpy", - "platform": null, - "nthreads": 1, - "optimizer": "Powell", - "tol": 1e-10, - "nqubits": 11, - "nlayers": 20, - "output_folder": "bp_tests", - "nboost": 2, - "boost_frequency": 100, - "dbi_steps": 1, - "stepsize": 0.01, - "optimize_dbi_step": false, - "store_h": false, - "hamiltonian": "XXZ", - "seed": "1", - "best_loss": -15.793532338989099, - "true_ground_energy": -15.94339416470582, - "success": false, - "message": "Maximum number of function evaluations has been exceeded.", - "energy": -15.78486757135421, - "fluctuations": 1.2778472869243782 -} diff --git a/bp_tests/Powell_11q_20l_1/parameters_history.npy b/bp_tests/Powell_11q_20l_1/parameters_history.npy deleted file mode 100644 index 86dc7dc..0000000 Binary files a/bp_tests/Powell_11q_20l_1/parameters_history.npy and /dev/null differ diff --git a/compile.sh b/compile.sh new file mode 100755 index 0000000..4dd39af --- /dev/null +++ b/compile.sh @@ -0,0 +1,10 @@ +#!/bin/bash +#SBATCH --job-name=boost +#SBATCH --output=boost.log + +OPTIMIZATION_METHOD="cma" +OPTIMIZATION_CONFIG="{ \"maxiter\": 2}" + +python3 compiling.py --backend numpy --path "./results/XXZ_5seeds/sgd_10q_6l_27/" \ + --epoch 500 --steps 2 --optimization_method $OPTIMIZATION_METHOD \ + --optimization_config "$OPTIMIZATION_CONFIG" diff --git a/compiling.py b/compiling.py new file mode 100644 index 0000000..c85d542 --- /dev/null +++ b/compiling.py @@ -0,0 +1,248 @@ +import argparse +import json +import logging +import pathlib +import time +from copy import deepcopy + +import numpy as np +import qibo + +qibo.set_backend("numpy") +from qibo import hamiltonians +from qibo.backends import construct_backend +from qibo.quantum_info.metrics import fidelity + +from boostvqe.ansatze import VQE, build_circuit +from boostvqe.models.dbi.double_bracket_evolution_oracles import ( + FrameShiftedEvolutionOracle, + MagneticFieldEvolutionOracle, + XXZ_EvolutionOracle, +) +from boostvqe.models.dbi.group_commutator_iteration_transpiler import ( + DoubleBracketRotationType, + GroupCommutatorIterationWithEvolutionOracles, +) +from boostvqe.utils import ( + OPTIMIZATION_FILE, + PARAMS_FILE, + build_circuit, + optimize_D, + select_recursion_step_gd_circuit, +) + +logging.basicConfig(level=logging.INFO) + + +def dump_config(config: dict, path): + config["path"] = config["path"] + config["db_rotation"] = config["db_rotation"].value + (path / "config.json").write_text(json.dumps(config, indent=4)) + + +def main(args): + """VQE training.""" + path = pathlib.Path(args.path) + dump_path = ( + path + / f"{args.db_rotation.name}_{args.optimization_method}_{args.epoch}e_{args.steps}s" + ) + dump_path.mkdir(parents=True, exist_ok=True) + + config = json.loads((path / OPTIMIZATION_FILE).read_text()) + dump_config(deepcopy(vars(args)), path=dump_path) + + if args.optimization_config is None: + opt_options = {} + else: + opt_options = json.loads(args.optimization_config) + + try: + params = np.load(path / f"parameters/params_ite{args.epoch}.npy") + except FileNotFoundError: + params = np.array( + np.load(path / PARAMS_FILE, allow_pickle=True).tolist()[0][args.epoch] + ) + + nqubits = config["nqubits"] + nlayers = config["nlayers"] + vqe_backend = construct_backend(backend=config["backend"]) + # TODO: remove delta hardcoded + hamiltonian = getattr(hamiltonians, config["hamiltonian"])( + nqubits=nqubits, delta=0.5, backend=vqe_backend + ) + vqe = VQE( + build_circuit( + nqubits=nqubits, + nlayers=nlayers, + ), + hamiltonian=hamiltonian, + ) + vqe.circuit.set_parameters(params) + + base_oracle = XXZ_EvolutionOracle.from_nqubits( + nqubits=nqubits, delta=0.5, steps=args.steps, order=args.order + ) + oracle = FrameShiftedEvolutionOracle.from_evolution_oracle( + before_circuit=vqe.circuit.invert(), + after_circuit=vqe.circuit, + base_evolution_oracle=base_oracle, + ) + + gci = GroupCommutatorIterationWithEvolutionOracles( + oracle, + args.db_rotation, + ) + + # TODO: remove hardcoded magnetic field + eo_d = MagneticFieldEvolutionOracle.from_b( + [4 - np.sin(x / 3) for x in range(nqubits)] + ) + gci.eo_d = eo_d + print( + f"The gci mode is {gci.double_bracket_rotation_type} rotation with {eo_d.__class__.__name__} as the oracle.\n" + ) + metadata = {} + + this_report = report(vqe, hamiltonian, gci) + metadata[0] = this_report + + for gci_step_nmb in range(args.steps): + logging.info( + "\n################################################################################\n" + + f"Optimizing GCI step {gci_step_nmb+1} with optimizer {args.optimization_method}" + + "\n################################################################################\n" + ) + it = time.time() + if args.optimization_method == "sgd": + _, best_s, _, eo_d = select_recursion_step_gd_circuit( + gci, + mode_dbr_list=[args.db_rotation], + step_grid=np.linspace(1e-5, 2e-2, 30), + lr_range=(1e-3, 1), + nmb_gd_epochs=opt_options["gd_epochs"], + threshold=1e-4, + max_eval_gd=30, + please_be_visual=False, + save_path="gci_step", + ) + + else: + if gci_step_nmb == 0: + p0 = [0.01] + p0.extend([4 - np.sin(x / 3) for x in range(nqubits)]) + else: + p0 = [best_s] + p0.extend(best_b) + optimized_params = optimize_D( + params=p0, + gci=gci, + method=args.optimization_method, + **opt_options, + ) + best_s = optimized_params[0] + best_b = optimized_params[1:] + eo_d = MagneticFieldEvolutionOracle.from_b(best_b) + + step_data = dict( + best_s=best_s, + eo_d_name=eo_d.__class__.__name__, + eo_d_params=eo_d.params, + ) + logging.info(f"Total optimization time required: {time.time() - it} seconds") + gci.mode_double_bracket_rotation = args.db_rotation + gci.eo_d = eo_d + gci(best_s) + + this_report = report(vqe, hamiltonian, gci) + print_report(this_report) + metadata[gci_step_nmb + 1] = this_report | step_data + + (dump_path / "boosting_data.json").write_text(json.dumps(metadata, indent=4)) + + +def report(vqe, hamiltonian, gci): + energies = hamiltonian.eigenvalues() + ground_state_energy = float(energies[0]) + vqe_energy = float(hamiltonian.expectation(vqe.circuit().state())) + gci_loss = float(gci.loss()) + gap = float(energies[1] - energies[0]) + + return ( + dict( + nqubits=hamiltonian.nqubits, + gci_loss=float(gci_loss), + vqe_energy=float(vqe_energy), + target_energy=ground_state_energy, + diff_vqe_target=vqe_energy - ground_state_energy, + diff_gci_target=gci_loss - ground_state_energy, + gap=gap, + diff_vqe_target_perc=abs(vqe_energy - ground_state_energy) + / abs(ground_state_energy) + * 100, + diff_gci_target_perc=abs(gci_loss - ground_state_energy) + / abs(ground_state_energy) + * 100, + fidelity_witness_vqe=1 - (vqe_energy - ground_state_energy) / gap, + fidelity_witness_gci=1 - (gci_loss - ground_state_energy) / gap, + fidelity_vqe=fidelity(vqe.circuit().state(), hamiltonian.ground_state()), + fidelity_gci=fidelity( + gci.get_composed_circuit()().state(), hamiltonian.ground_state() + ), + ) + | gci.get_gate_count_dict() + ) + + +def print_report(report: dict): + print( + f"\ + The target energy is {report['target_energy']}\n\ + The VQE energy is {report['vqe_energy']} \n\ + The DBQA energy is {report['gci_loss']}. \n\ + The difference is for VQE is {report['diff_vqe_target']} \n\ + and for the DBQA {report['diff_gci_target']} \n\ + which can be compared to the spectral gap {report['gap']}.\n\ + The relative difference is \n\ + - for VQE {report['diff_vqe_target_perc']}% \n\ + - for DBQA {report['diff_gci_target_perc']}%.\n\ + The energetic fidelity witness of the ground state is: \n\ + - for the VQE {report['fidelity_witness_vqe']} \n\ + - for DBQA {report['fidelity_witness_gci']}\n\ + The true fidelity is \n\ + - for the VQE {report['fidelity_vqe']}\n\ + - for DBQA {report['fidelity_gci']}\n\ + " + ) + print( + f"The boosting circuit used {report['nmb_cnot']} CNOT gates coming from compiled XXZ evolution and {report['nmb_cz']} CZ gates from VQE.\n\ +For {report['nqubits']} qubits this gives n_CNOT/n_qubits = {report['nmb_cnot_relative']} and n_CZ/n_qubits = {report['nmb_cz_relative']}" + ) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Boosting VQE with DBI.") + parser.add_argument("--backend", default="qibojit", type=str, help="Qibo backend") + parser.add_argument("--path", type=str, help="Output folder") + parser.add_argument( + "--epoch", default=-1, type=int, help="VQE epoch where DBI will be applied." + ) + parser.add_argument("--steps", default=2, type=int, help="DBI steps") + parser.add_argument("--order", default=2, type=int, help="Suzuki-Trotter order") + parser.add_argument( + "--db_rotation", + type=lambda arg: DoubleBracketRotationType[arg], + choices=DoubleBracketRotationType, + default="group_commutator_reduced", + help="DB rotation type.", + ) + parser.add_argument( + "--optimization_method", default="sgd", type=str, help="Optimization method" + ) + parser.add_argument( + "--optimization_config", + type=str, + help="Options to customize the optimizer training.", + ) + args = parser.parse_args() + main(args) diff --git a/main.py b/main.py index def0fa7..45ee58d 100644 --- a/main.py +++ b/main.py @@ -24,6 +24,7 @@ DBI_ENERGIES, DBI_FLUCTUATIONS, DBI_STEPS, + DELTA, FLUCTUATION_FILE, GRADS_FILE, HAMILTONIAN_FILE, @@ -66,13 +67,14 @@ def main(args): ham = getattr(hamiltonians, args.hamiltonian)(nqubits=args.nqubits) target_energy = np.real(np.min(np.asarray(ham.eigenvalues()))) circ0 = build_circuit( - nqubits=args.nqubits, nlayers=args.nlayers, backend=args.backend + nqubits=args.nqubits, + nlayers=args.nlayers, ) circ = circ0.copy(deep=True) backend = ham.backend zero_state = backend.zero_state(args.nqubits) - loss = partial(vqe_loss, delta=0.5, nshots=args.nshots) + loss = partial(vqe_loss, delta=DELTA, nshots=args.nshots) # fix numpy seed to ensure replicability of the experiment np.random.seed(int(args.seed)) @@ -174,7 +176,7 @@ def main(args): circ.set_parameters(initial_parameters) # reduce the learning rate after DBI has been applied - if "learning_rate" in opt_options.keys(): + if "learning_rate" in opt_options: opt_options["learning_rate"] *= args.decay_rate_lr best_loss = min(np.min(array) for array in loss_history.values()) diff --git a/notebooks/running_boosting_optimizers.ipynb b/notebooks/running_boosting_optimizers.ipynb index 449f1ee..96d8555 100644 --- a/notebooks/running_boosting_optimizers.ipynb +++ b/notebooks/running_boosting_optimizers.ipynb @@ -9,16 +9,16 @@ }, { "cell_type": "code", - "execution_count": 4, + "execution_count": 1, "metadata": {}, "outputs": [ { "data": { "text/plain": [ - "" + "" ] }, - "execution_count": 4, + "execution_count": 1, "metadata": {}, "output_type": "execute_result" } @@ -32,14 +32,14 @@ }, { "cell_type": "code", - "execution_count": 5, + "execution_count": 2, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ - "[Qibo 0.2.9|INFO|2024-06-24 19:08:39]: Using numpy backend on /CPU:0\n", + "[Qibo 0.2.9|INFO|2024-06-25 15:13:28]: Using numpy backend on /CPU:0\n", "INFO:qibo.config:Using numpy backend on /CPU:0\n" ] } @@ -50,243 +50,28 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 3, "metadata": {}, "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "[Qibo 0.2.9|INFO|2024-06-24 19:10:04]: Using numpy backend on /CPU:0\n", - "INFO:qibo.config:Using numpy backend on /CPU:0\n" - ] - }, { "name": "stdout", "output_type": "stream", "text": [ "Initilizing gci:\n", - "\n", - "In the VQE numpy\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Optimizing GCI step 1 with optimizer cma\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The gci mode is DoubleBracketRotationType.group_commutator_third_order_reduced rotation with B Field as the oracle.\n", - "\n", - "The target energy is -15.28\n", - "The VQE energy is -14.86 \n", - "The DBQA energy is -14.86. \n", - "The difference is for VQE is 0.42 \n", - "and for the DBQA 0.42 \n", - "which can be compared to the spectral gap 1.09.\n", - "The relative difference is \n", - " - for VQE 2.74% \n", - " - for DBQA 2.74%.\n", - "The energetic fidelity witness of the ground state is: \n", - " - for the VQE 0.61 \n", - " - for DBQA 0.61\n", - "The true fidelity is \n", - " - for the VQE 0.71\n", - " - for DBQA 0.71\n", - " \n", - "The boosting circuit used 0 CNOT gates coming from compiled XXZ evolution and 70 CZ gates from VQE.\n", - "For 10 qubits this gives n_CNOT/n_qubits = 7.0 and n_CZ/n_qubits = 0.0\n", - "(5_w,11)-aCMA-ES (mu_w=3.4,w_1=42%) in dimension 11 (seed=340910, Mon Jun 24 19:10:06 2024)\n", - "Iterat #Fevals function value axis ratio sigma min&max std t[m:s]\n", - " 1 11 -1.486102221487895e+01 1.0e+00 4.82e-01 5e-01 5e-01 0:03.0\n", - " 2 22 -1.493232917350681e+01 1.2e+00 4.54e-01 4e-01 5e-01 0:05.9\n", - " 3 33 -1.494589805854785e+01 1.3e+00 4.34e-01 4e-01 5e-01 0:08.7\n", - " 5 55 -1.488132480684967e+01 1.5e+00 4.32e-01 4e-01 5e-01 0:14.6\n", - " 7 77 -1.486874025757508e+01 1.6e+00 3.90e-01 3e-01 4e-01 0:20.6\n", - " 9 99 -1.494251766852943e+01 1.8e+00 3.83e-01 3e-01 4e-01 0:26.5\n", - " 12 132 -1.490589054974517e+01 2.1e+00 3.05e-01 2e-01 3e-01 0:35.2\n", - " 15 165 -1.497710655402089e+01 2.4e+00 3.22e-01 2e-01 4e-01 0:43.7\n", - " 18 198 -1.493294916582314e+01 2.7e+00 3.08e-01 1e-01 3e-01 0:52.1\n", - " 20 220 -1.496661712203507e+01 3.1e+00 3.35e-01 1e-01 4e-01 0:57.8\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Total optimization time required: 58.12031579017639 seconds\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "termination on maxiter=20 (Mon Jun 24 19:11:04 2024)\n", - "final/bestever f-value = -1.494420e+01 -1.498048e+01 after 221/37 evaluations\n", - "incumbent solution: [1.68094599e-03 4.61881572e+00 4.41483696e+00 4.70556406e+00\n", - " 2.95413628e+00 2.87771714e+00 3.06257374e+00 4.56117127e+00 ...]\n", - "std deviations: [0.14838242 0.32379564 0.33567459 0.36422163 0.32754441 0.33445155\n", - " 0.32676092 0.34680029 ...]\n", - "-14.980484761312827\n", - "Executing gci step 0:\n", - "\n", - "The selected data is DoubleBracketRotationType.group_commutator_third_order_reduced rotation with B Field for the duration s = 0.004508940040903894.\n", - "--- the report after execution:\n", "\n" ] }, { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Optimizing GCI step 2 with optimizer cma\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The target energy is -15.28\n", - "The VQE energy is -14.86 \n", - "The DBQA energy is -14.98. \n", - "The difference is for VQE is 0.42 \n", - "and for the DBQA 0.3 \n", - "which can be compared to the spectral gap 1.09.\n", - "The relative difference is \n", - " - for VQE 2.74% \n", - " - for DBQA 1.94%.\n", - "The energetic fidelity witness of the ground state is: \n", - " - for the VQE 0.61 \n", - " - for DBQA 0.61\n", - "The true fidelity is \n", - " - for the VQE 0.71\n", - " - for DBQA 0.75\n", - " \n", - "The boosting circuit used 90 CNOT gates coming from compiled XXZ evolution and 350 CZ gates from VQE.\n", - "For 10 qubits this gives n_CNOT/n_qubits = 35.0 and n_CZ/n_qubits = 9.0\n", - "==== the execution report ends here\n", - "(5_w,11)-aCMA-ES (mu_w=3.4,w_1=42%) in dimension 11 (seed=332034, Mon Jun 24 19:11:05 2024)\n", - "Iterat #Fevals function value axis ratio sigma min&max std t[m:s]\n", - " 1 11 -1.501194970806467e+01 1.0e+00 4.48e-01 4e-01 5e-01 0:12.5\n", - " 2 22 -1.493551467116445e+01 1.1e+00 4.58e-01 4e-01 5e-01 0:25.1\n", - " 3 33 -1.501258356142792e+01 1.3e+00 4.51e-01 4e-01 5e-01 0:37.6\n", - " 4 44 -1.501549859698790e+01 1.4e+00 4.49e-01 4e-01 5e-01 0:49.8\n", - " 5 55 -1.501149894454116e+01 1.5e+00 4.45e-01 4e-01 5e-01 1:02.3\n", - " 6 66 -1.492290626877272e+01 1.6e+00 4.79e-01 4e-01 5e-01 1:14.6\n", - " 7 77 -1.502521036844586e+01 1.7e+00 4.66e-01 4e-01 5e-01 1:27.0\n", - " 8 88 -1.498409310155215e+01 1.8e+00 4.53e-01 3e-01 5e-01 1:39.3\n", - " 9 99 -1.467470533314496e+01 1.8e+00 4.31e-01 3e-01 5e-01 1:51.8\n", - " 10 110 -1.502231686674275e+01 1.8e+00 4.04e-01 3e-01 5e-01 2:04.2\n", - " 11 121 -1.498690543488073e+01 1.9e+00 3.76e-01 3e-01 4e-01 2:16.5\n", - " 12 132 -1.498296179833987e+01 2.0e+00 3.53e-01 2e-01 4e-01 2:28.9\n", - " 13 143 -1.500259309440433e+01 2.2e+00 3.31e-01 2e-01 4e-01 2:42.0\n", - " 15 165 -1.499237254383245e+01 2.7e+00 3.08e-01 2e-01 4e-01 3:07.5\n", - " 17 187 -1.502582667955097e+01 3.2e+00 3.15e-01 2e-01 4e-01 3:32.6\n", - " 19 209 -1.502686599435694e+01 3.6e+00 3.33e-01 1e-01 4e-01 3:57.8\n", - " 20 220 -1.502531386306212e+01 3.8e+00 3.20e-01 1e-01 4e-01 4:10.2\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Total optimization time required: 251.51421904563904 seconds\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "termination on maxiter=20 (Mon Jun 24 19:15:17 2024)\n", - "final/bestever f-value = -1.501696e+01 -1.502687e+01 after 221/206 evaluations\n", - "incumbent solution: [2.69667679e-03 5.07623175e+00 4.86931741e+00 2.99050710e+00\n", - " 3.68636139e+00 3.96258237e+00 9.84550834e-01 3.65913370e+00 ...]\n", - "std deviations: [0.13784311 0.31242055 0.31330945 0.399837 0.32711765 0.34270584\n", - " 0.33501364 0.30175607 ...]\n", - "-15.02686599435694\n", - "Executing gci step 1:\n", - "\n", - "The selected data is DoubleBracketRotationType.group_commutator_third_order_reduced rotation with B Field for the duration s = 0.005480377906235396.\n", - "--- the report after execution:\n", - "\n", - "The target energy is -15.28\n", - "The VQE energy is -14.86 \n", - "The DBQA energy is -15.03. \n", - "The difference is for VQE is 0.42 \n", - "and for the DBQA 0.25 \n", - "which can be compared to the spectral gap 1.09.\n", - "The relative difference is \n", - " - for VQE 2.74% \n", - " - for DBQA 1.63%.\n", - "The energetic fidelity witness of the ground state is: \n", - " - for the VQE 0.61 \n", - " - for DBQA 0.61\n", - "The true fidelity is \n", - " - for the VQE 0.71\n", - " - for DBQA 0.78\n", - " \n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Optimizing GCI step 3 with optimizer cma\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "The boosting circuit used 540 CNOT gates coming from compiled XXZ evolution and 1750 CZ gates from VQE.\n", - "For 10 qubits this gives n_CNOT/n_qubits = 175.0 and n_CZ/n_qubits = 54.0\n", - "==== the execution report ends here\n", - "(5_w,11)-aCMA-ES (mu_w=3.4,w_1=42%) in dimension 11 (seed=381363, Mon Jun 24 19:15:20 2024)\n", - "Iterat #Fevals function value axis ratio sigma min&max std t[m:s]\n", - " 1 11 -1.503972115631410e+01 1.0e+00 4.52e-01 4e-01 5e-01 1:00.4\n", - " 2 22 -1.504876320634162e+01 1.2e+00 4.39e-01 4e-01 4e-01 2:00.8\n", - " 3 33 -1.503545854616085e+01 1.3e+00 4.35e-01 4e-01 4e-01 3:02.5\n", - " 4 44 -1.504841255475905e+01 1.4e+00 4.83e-01 4e-01 5e-01 4:03.1\n", - " 5 55 -1.504757440134361e+01 1.6e+00 4.93e-01 4e-01 5e-01 5:05.0\n", - " 6 66 -1.504282821648812e+01 1.6e+00 4.83e-01 4e-01 5e-01 6:05.7\n", - " 7 77 -1.504169275494222e+01 1.7e+00 4.60e-01 4e-01 5e-01 7:06.5\n", - " 8 88 -1.504373481688036e+01 1.8e+00 4.34e-01 3e-01 5e-01 8:07.8\n", - " 9 99 -1.503286984814493e+01 1.8e+00 4.08e-01 3e-01 4e-01 9:09.5\n", - " 10 110 -1.504607355065306e+01 1.9e+00 3.75e-01 3e-01 4e-01 10:11.1\n", - " 11 121 -1.504595597971377e+01 2.0e+00 3.55e-01 2e-01 4e-01 11:12.5\n", - " 12 132 -1.504836605129647e+01 2.1e+00 3.47e-01 2e-01 4e-01 12:13.6\n", - " 13 143 -1.504471423193346e+01 2.2e+00 3.26e-01 2e-01 4e-01 13:15.2\n", - " 14 154 -1.503694538406842e+01 2.3e+00 3.05e-01 2e-01 3e-01 14:16.8\n", - " 15 165 -1.505084976442413e+01 2.5e+00 2.66e-01 1e-01 3e-01 15:18.9\n", - " 16 176 -1.505068178124242e+01 2.7e+00 2.39e-01 1e-01 3e-01 16:20.2\n", - " 17 187 -1.504634682915185e+01 2.8e+00 2.13e-01 1e-01 2e-01 17:21.5\n", - " 18 198 -1.504802659082622e+01 2.9e+00 1.92e-01 9e-02 2e-01 18:22.2\n", - " 19 209 -1.505062053699012e+01 3.0e+00 1.77e-01 8e-02 2e-01 19:23.2\n", - " 20 220 -1.504441119041568e+01 3.0e+00 1.67e-01 7e-02 2e-01 20:26.1\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "INFO:root:Total optimization time required: 1231.466492176056 seconds\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "termination on maxiter=20 (Mon Jun 24 19:35:52 2024)\n", - "final/bestever f-value = -1.503218e+01 -1.505085e+01 after 221/164 evaluations\n", - "incumbent solution: [3.59787913e-04 4.80685794e+00 6.65356648e+00 2.06834836e+00\n", - " 3.53347956e+00 3.32765267e+00 1.17023443e+00 3.96128527e+00 ...]\n", - "std deviations: [0.07138614 0.16519007 0.16082111 0.15125946 0.16546173 0.18905296\n", - " 0.15058336 0.16048244 ...]\n" + "ename": "FileNotFoundError", + "evalue": "[Errno 2] No such file or directory: '../results/vqe_data/with_params/10q7l/sgd_10q_7l_42/optimization_results.json'", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mFileNotFoundError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[3], line 17\u001b[0m\n\u001b[1;32m 15\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m eo_d \u001b[38;5;129;01min\u001b[39;00m utils\u001b[38;5;241m.\u001b[39mget_eo_d_initializations(nqubits)[\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m2\u001b[39m:\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m1\u001b[39m]:\n\u001b[1;32m 16\u001b[0m mode_dbr \u001b[38;5;241m=\u001b[39m utils\u001b[38;5;241m.\u001b[39mDoubleBracketRotationType\u001b[38;5;241m.\u001b[39mgroup_commutator_third_order_reduced \n\u001b[0;32m---> 17\u001b[0m \u001b[43mutils\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mexecute_gci_boost\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 18\u001b[0m \u001b[43m \u001b[49m\u001b[43mnqubits\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mnqubits\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\n\u001b[1;32m 19\u001b[0m \u001b[43m \u001b[49m\u001b[43mnlayers\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mnlayers\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 20\u001b[0m \u001b[43m \u001b[49m\u001b[43mseed\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mseed\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 21\u001b[0m \u001b[43m \u001b[49m\u001b[43mtarget_epoch\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mtarget_epoch\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 22\u001b[0m \u001b[43m \u001b[49m\u001b[43mnmb_gci_steps\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;241;43m3\u001b[39;49m\u001b[43m,\u001b[49m\n\u001b[1;32m 23\u001b[0m \u001b[43m \u001b[49m\u001b[43meo_d\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43meo_d\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 24\u001b[0m \u001b[43m \u001b[49m\u001b[43mmode_dbr\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mmode_dbr\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 25\u001b[0m \u001b[43m \u001b[49m\u001b[43moptimization_method\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43moptimization_method\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 26\u001b[0m \u001b[43m \u001b[49m\u001b[43moptimization_config\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43moptimization_config\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 27\u001b[0m \u001b[43m \u001b[49m\u001b[43mplease_be_verbose\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;28;43;01mTrue\u001b[39;49;00m\n\u001b[1;32m 28\u001b[0m \u001b[43m \u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 29\u001b[0m \u001b[38;5;28mprint\u001b[39m(gci_eval_counter)\n\u001b[1;32m 30\u001b[0m gci_eval_counter \u001b[38;5;241m+\u001b[39m\u001b[38;5;241m=\u001b[39m\u001b[38;5;241m1\u001b[39m\n", + "File \u001b[0;32m~/boostvqe/src/boostvqe/utils.py:398\u001b[0m, in \u001b[0;36mexecute_gci_boost\u001b[0;34m(nqubits, nlayers, seed, target_epoch, nmb_gci_steps, eo_d, optimization_method, optimization_config, mode_dbr, please_be_verbose, please_be_visual)\u001b[0m\n\u001b[1;32m 396\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m please_be_verbose:\n\u001b[1;32m 397\u001b[0m \u001b[38;5;28mprint\u001b[39m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mInitilizing gci:\u001b[39m\u001b[38;5;130;01m\\n\u001b[39;00m\u001b[38;5;124m\"\u001b[39m)\n\u001b[0;32m--> 398\u001b[0m gci \u001b[38;5;241m=\u001b[39m \u001b[43minitialize_gci_from_vqe\u001b[49m\u001b[43m(\u001b[49m\n\u001b[1;32m 399\u001b[0m \u001b[43m \u001b[49m\u001b[43mnqubits\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mnqubits\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mnlayers\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43mnlayers\u001b[49m\u001b[43m,\u001b[49m\u001b[43m 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utils.DoubleBracketRotationType.group_commutator_third_order_reduced \n", + " mode_dbr = utils.DoubleBracketRotationType.group_commutator_third_order_reduced\n", " utils.execute_gci_boost(\n", - " nqubits=nqubits, \n", + " nqubits=nqubits,\n", " nlayers=nlayers,\n", " seed=seed,\n", " target_epoch = target_epoch,\n", @@ -347,7 +132,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.0" + "version": "3.11.4" } }, "nbformat": 4, diff --git a/results/.DS_Store b/results/.DS_Store deleted file mode 100644 index e349dae..0000000 Binary files a/results/.DS_Store and /dev/null differ diff --git a/results/vqe_data/.DS_Store b/results/vqe_data/.DS_Store deleted file mode 100644 index ed4031e..0000000 Binary files a/results/vqe_data/.DS_Store and /dev/null differ diff --git a/results/vqe_data/10q_layers_scan/Adam_10q_11l_42s_0.001lr/dbi_d_matrices.npz b/results/vqe_data/10q_layers_scan/Adam_10q_11l_42s_0.001lr/dbi_d_matrices.npz deleted file 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index 0e07b4d..20480ba 100755 --- a/run.sh +++ b/run.sh @@ -2,12 +2,12 @@ #SBATCH --job-name=adamch #SBATCH --output=bp_regime.log -NQUBITS=11 -NLAYERS=20 +NQUBITS=5 +NLAYERS=1 DBI_STEPS=0 NBOOST=0 -BOOST_FREQUENCY=500 +BOOST_FREQUENCY=100 NSHOTS=1000 SEED=42 diff --git a/run_sgd.sh b/run_sgd.sh deleted file mode 100755 index 5374984..0000000 --- a/run_sgd.sh +++ /dev/null @@ -1,24 +0,0 @@ -#!/bin/bash -#SBATCH --job-name=boostvqe -#SBATCH --output=boostvqe.log - -NQUBITS=4 -NLAYERS=2 - -DBI_STEPS=2 -NBOOST=2 -BOOST_FREQUENCY=10 - -NSHOTS=10000 -TOL=1e-8 -ACC=0.5 - -OPTIMIZER="sgd" -BACKEND="tensorflow" -OPTIMIZER_OPTIONS="{ \"optimizer\": \"Adagrad\", \"learning_rate\": 0.1, \"nmessage\": 1, \"nepochs\": $BOOST_FREQUENCY }" - -python main.py --nqubits $NQUBITS --nlayers $NLAYERS --optimizer $OPTIMIZER \ - --output_folder results/debugging --backend $BACKEND --tol $TOL \ - --dbi_step $DBI_STEPS --seed 42 \ - --boost_frequency $BOOST_FREQUENCY --nboost $NBOOST \ - --optimizer_options "$OPTIMIZER_OPTIONS" diff --git a/src/boostvqe/ansatze.py b/src/boostvqe/ansatze.py index 1ead82a..95b5d99 100644 --- a/src/boostvqe/ansatze.py +++ b/src/boostvqe/ansatze.py @@ -6,11 +6,9 @@ from boostvqe.training_utils import vqe_loss -def build_circuit(nqubits, nlayers, backend): +def build_circuit(nqubits, nlayers): """Build qibo's aavqe example circuit.""" - qibo.set_backend(backend) - circuit = Circuit(nqubits) for _ in range(nlayers): circuit.add(gates.RY(q, theta=0) for q in range(nqubits)) @@ -52,7 +50,6 @@ class VQE: def __init__(self, circuit, hamiltonian): """Initialize circuit ansatz and hamiltonian.""" - print("In the VQE", get_backend()) self.circuit = circuit self.hamiltonian = hamiltonian self.backend = hamiltonian.backend diff --git a/src/boostvqe/models/dbi/double_bracket_evolution_oracles.py b/src/boostvqe/models/dbi/double_bracket_evolution_oracles.py index 9a9ac1b..570fa09 100644 --- a/src/boostvqe/models/dbi/double_bracket_evolution_oracles.py +++ b/src/boostvqe/models/dbi/double_bracket_evolution_oracles.py @@ -1,26 +1,20 @@ +from copy import deepcopy +from dataclasses import dataclass from enum import Enum, auto +from functools import reduce import hyperopt +import matplotlib.pyplot as plt import numpy as np - -from qibo import Circuit, symbols +from qibo import Circuit, gates, symbols from qibo.config import raise_error from qibo.hamiltonians import AbstractHamiltonian, SymbolicHamiltonian -import numpy as np -from qibo import Circuit, gates - -from boostvqe.compiling_XXZ import * -from copy import deepcopy - -from functools import reduce -import matplotlib.pyplot as plt +# TODO: remove this global import +from boostvqe.compiling_XXZ import nqubit_XXZ_decomposition class EvolutionOracleType(Enum): - text_strings = auto() - """If you only want to get a sequence of names of the oracle""" - numerical = auto() """If you will work with exp(is_k J_k) as a numerical matrix""" @@ -28,142 +22,66 @@ class EvolutionOracleType(Enum): """If you will use SymbolicHamiltonian""" +@dataclass class EvolutionOracle: - def __init__( - self, - h_generator: AbstractHamiltonian, - name, - mode_evolution_oracle: EvolutionOracleType = EvolutionOracleType.text_strings, - ): - if ( - mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation - and type(h_generator) is not SymbolicHamiltonian - ): - raise_error( - TypeError, - "If the evolution oracle mode will be to make Trotter-Suzuki decompositions then you must use the SymbolicHamiltonian generator", - ) - if h_generator is None and name is None: - raise_error( - NotImplementedError, - "You have to specify either a matrix and then work in the numerical mode, or SymbolicHamiltonian and work in hamiltonian_simulation mode or at least a name and work with text_strings to list DBI query lists", - ) - - if ( - mode_evolution_oracle is EvolutionOracleType.numerical - and type(h_generator) is SymbolicHamiltonian - ): - self.h = h_generator.dense - else: - self.h = h_generator - self.nqubits = self.h.nqubits - self.name = name - self.mode_evolution_oracle = mode_evolution_oracle - self.mode_find_number_of_trottersuzuki_steps = True - self.eps_trottersuzuki = 0.0001 - self.please_be_verbose = False - self.please_use_prescribed_nmb_ts_steps = False + h: AbstractHamiltonian + evolution_oracle_type: EvolutionOracleType + + def __post_init__(self): + self.steps = 1 def __call__(self, t_duration: float): """Returns either the name or the circuit""" return self.circuit(t_duration=t_duration) - def eval_unitary(self, t_duration): - """This wraps around `circuit` and always returns a unitary""" - if self.mode_evolution_oracle is EvolutionOracleType.numerical: - return self.circuit(t_duration) - elif self.mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation: - return self.circuit(t_duration).unitary() - - def circuit(self, t_duration: float = None): + def circuit(self, t_duration: float): """This function returns depending on `EvolutionOracleType` string, ndarray or `Circuit`. In the hamiltonian_simulation mode we evaluate an appropriate Trotter-Suzuki discretization up to `self.eps_trottersuzuki` threshold. """ - if self.mode_evolution_oracle is EvolutionOracleType.text_strings: - return self.name + str(t_duration) - elif self.mode_evolution_oracle is EvolutionOracleType.numerical: + if self.evolution_oracle_type is EvolutionOracleType.numerical: return self.h.exp(t_duration) - elif self.mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation: - if self.please_use_prescribed_nmb_ts_steps is False: - return self.discretized_evolution_circuit_binary_search( - t_duration, eps=self.eps_trottersuzuki - ) - else: - dt = t_duration / self.please_use_prescribed_nmb_ts_steps - return reduce( - Circuit.__add__, - [deepcopy(self.h).circuit(dt)] * self.please_use_prescribed_nmb_ts_steps - ) - - def discretized_evolution_circuit_binary_search(self, t_duration, eps=None): - nmb_trottersuzuki_steps = 1 # this is the smallest size - nmb_trottersuzki_steps_right = 800 # this is the largest size for binary search - if eps is None: - eps = self.eps_trottersuzuki - target_unitary = self.h.exp(t_duration) - - def check_accuracy(n_steps): - proposed_circuit_unitary = np.linalg.matrix_power( - deepcopy(self.h).circuit(t_duration / n_steps).unitary(), - n_steps, - ) - norm_difference = np.linalg.norm(target_unitary - proposed_circuit_unitary) - return norm_difference < eps - - nmb_trottersuzuki_steps_used = nmb_trottersuzki_steps_right - while nmb_trottersuzuki_steps <= nmb_trottersuzki_steps_right: - mid = ( - nmb_trottersuzuki_steps - + (nmb_trottersuzki_steps_right - nmb_trottersuzuki_steps) // 2 + else: + dt = t_duration / self.steps + return reduce( + Circuit.__add__, + [deepcopy(self.h).circuit(dt)] * self.steps, ) - if check_accuracy(mid): - nmb_trottersuzuki_steps_used = mid - nmb_trottersuzki_steps_right = mid - 1 - else: - nmb_trottersuzuki_steps = mid + 1 - nmb_trottersuzuki_steps = nmb_trottersuzuki_steps_used - - circuit_1_step = deepcopy(self.h.circuit(t_duration / nmb_trottersuzuki_steps)) - combined_circuit = reduce( - Circuit.__add__, [circuit_1_step] * nmb_trottersuzuki_steps - ) - assert ( - np.linalg.norm(combined_circuit.unitary() - target_unitary) < eps - ), f"{np.linalg.norm(combined_circuit.unitary() - target_unitary)},{eps}, {nmb_trottersuzuki_steps}" - return combined_circuit - +@dataclass class FrameShiftedEvolutionOracle(EvolutionOracle): - def __init__( - self, + before_circuit: str + after_circuit: str + base_evolution_oracle: EvolutionOracle + + @classmethod + def from_evolution_oracle( + cls, base_evolution_oracle: EvolutionOracle, - name, before_circuit, after_circuit, ): + return cls( + base_evolution_oracle=base_evolution_oracle, + before_circuit=before_circuit, + after_circuit=after_circuit, + h=base_evolution_oracle.h, + evolution_oracle_type=base_evolution_oracle.evolution_oracle_type, + ) - assert isinstance(before_circuit, type(after_circuit)) + @property + def nqubits(self): + assert self.before_circuit.nqubits == self.after_circuit.nqubits + return self.before_circuit.nqubits - self.h = base_evolution_oracle.h - self.base_evolution_oracle = base_evolution_oracle - self.name = name + "(" + base_evolution_oracle.name + ")" - self.mode_evolution_oracle = base_evolution_oracle.mode_evolution_oracle - self.before_circuit = before_circuit - self.after_circuit = after_circuit - self.nqubits = base_evolution_oracle.nqubits def circuit(self, t_duration: float = None): - - if self.mode_evolution_oracle is EvolutionOracleType.text_strings: - return self.name + "(" + str(t_duration) + ")" - elif self.mode_evolution_oracle is EvolutionOracleType.numerical: + if self.evolution_oracle_type is EvolutionOracleType.numerical: return ( self.before_circuit @ self.base_evolution_oracle(t_duration) @ self.after_circuit ) - elif self.mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation: - + elif self.evolution_oracle_type is EvolutionOracleType.hamiltonian_simulation: return ( self.after_circuit + self.base_evolution_oracle.circuit(t_duration) @@ -179,59 +97,50 @@ def get_composed_circuit(self): c = Circuit(nqubits=self.nqubits) fseo = self while isinstance(fseo, FrameShiftedEvolutionOracle): - if self.mode_evolution_oracle is EvolutionOracleType.numerical: - c = c @fseo.after_circuit + if ( + self.base_evolution_oracle.evolution_oracle_type + is EvolutionOracleType.numerical + ): + c = c @ fseo.after_circuit elif ( - self.mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation + self.base_evolution_oracle.evolution_oracle_type + is EvolutionOracleType.hamiltonian_simulation ): - c = c +fseo.after_circuit + c = c + fseo.after_circuit fseo = fseo.base_evolution_oracle return c - -class VQERotatedEvolutionOracle(FrameShiftedEvolutionOracle): - def __init__( - self, - base_evolution_oracle: EvolutionOracle, - vqe, - name = "VQE Rotated EO", - ): - super().__init__(base_evolution_oracle, before_circuit=vqe.circuit.invert(), - after_circuit=vqe.circuit,name="shifting by vqe") - self.vqe = vqe + +@dataclass class MagneticFieldEvolutionOracle(EvolutionOracle): - def __init__( - self, - b_list, - name = "B Field", - mode_evolution_oracle: EvolutionOracleType = EvolutionOracleType.hamiltonian_simulation + b: list + + @property + def params(self): + if isinstance(self.b, list): + return self.b + return self.b.tolist() + + @classmethod + def from_b( + cls, + b: list, + evolution_oracle_type: EvolutionOracleType = EvolutionOracleType.hamiltonian_simulation, ): - self.nqubits = len(b_list) - d = SymbolicHamiltonian( sum([b*symbols.Z(j) for j,b in zip(range(self.nqubits),b_list)])) - super().__init__( - d, - name, - mode_evolution_oracle - ) - self.b_list = b_list - self.please_assess_how_many_steps_to_use = False #otherwise methods which cast to dense will be used + nqubits = len(b) + hamiltonian = SymbolicHamiltonian( + sum([bi * symbols.Z(j) for j, bi in zip(range(nqubits), b)]) + ) + return cls(h=hamiltonian, evolution_oracle_type=evolution_oracle_type, b=b) - def discretized_evolution_circuit_binary_search(self, t_duration, eps=None): - if self.mode_evolution_oracle is EvolutionOracleType.numerical: - return self.h.exp(t_duration) - - if self.please_assess_how_many_steps_to_use: - return super().discretized_evolution_circuit_binary_search(t_duration,eps=eps) - else: - return self.h.circuit(t_duration) class IsingNNEvolutionOracle(EvolutionOracle): def __init__( self, b_list, j_list, - name = "H_ClassicalIsing(B,J)", - mode_evolution_oracle: EvolutionOracleType = EvolutionOracleType.hamiltonian_simulation + name="H_ClassicalIsing(B,J)", + evolution_oracle_type: EvolutionOracleType = EvolutionOracleType.hamiltonian_simulation, ): """ Constructs the evolution oracle for the classical Ising model @@ -240,30 +149,37 @@ def __init__( """ self.nqubits = len(b_list) - d = SymbolicHamiltonian( - sum([b*symbols.Z(j) for j,b in zip(range(self.nqubits),b_list)]+ - [j_list[j] * symbols.Z(j)*symbols.Z((j+1) % self.nqubits) for j in range(self.nqubits)] - )) - super().__init__( - d, - name, - mode_evolution_oracle - ) + d = SymbolicHamiltonian( + sum( + [b * symbols.Z(j) for j, b in zip(range(self.nqubits), b_list)] + + [ + j_list[j] * symbols.Z(j) * symbols.Z((j + 1) % self.nqubits) + for j in range(self.nqubits) + ] + ) + ) + super().__init__(d, name, evolution_oracle_type) self.b_list = b_list self.j_list = j_list - self.please_assess_how_many_steps_to_use = False #otherwise methods which cast to dense will be used + self.please_assess_how_many_steps_to_use = ( + False # otherwise methods which cast to dense will be used + ) self.please_use_coarse_compiling = False + @property + def params(self): + return self.b_list.tolist() + self.j_list.tolist() + def discretized_evolution_circuit_binary_search(self, t_duration, eps=None): - if self.mode_evolution_oracle is EvolutionOracleType.numerical: + if self.evolution_oracle_type is EvolutionOracleType.numerical: return self.h.exp(t_duration) - + if self.please_assess_how_many_steps_to_use: - return super().discretized_evolution_circuit_binary_search(t_duration,eps=eps) + return super().discretized_evolution_circuit_binary_search( + t_duration, eps=eps + ) else: return self.h.circuit(t_duration) - - def circuit(self, t): """ @@ -285,101 +201,60 @@ def circuit(self, t): else: circuit = Circuit(nqubits=self.nqubits) # Create lists of even and odd qubit indices - list_q_i = [ num for num in range(self.nqubits) ] - list_q_ip1 = [ num+1 for num in range(self.nqubits-1) ] + list_q_i = [num for num in range(self.nqubits)] + list_q_ip1 = [num + 1 for num in range(self.nqubits - 1)] list_q_ip1.append(0) for q_i, q_ip1, j in zip(list_q_i, list_q_ip1, self.j_list): - circuit.add(gates.CNOT(q_i, q_ip1) ) - circuit.add(gates.RZ(q_ip1, 2 *t *j ) ) - circuit.add(gates.CNOT(q_i, q_ip1) ) - circuit.add(gates.RZ(q_i, 2 *t * b ) for q_i,b in zip(range(self.nqubits),self.b_list)) + circuit.add(gates.CNOT(q_i, q_ip1)) + circuit.add(gates.RZ(q_ip1, 2 * t * j)) + circuit.add(gates.CNOT(q_i, q_ip1)) + circuit.add( + gates.RZ(q_i, 2 * t * b) + for q_i, b in zip(range(self.nqubits), self.b_list) + ) return circuit - - def _test_gate_assigment(): - l = [] - for t in np.linspace(0,4,20): - c =Circuit(1) - c.add(gates.RZ(0,theta = t)) - u = c.unitary() - d = SymbolicHamiltonian(symbols.Z(0),nqubits= 1) - l.append(np.linalg.norm(d.exp(t/2) -u)) - plt.plot(l) - - l = [] - for t in np.linspace(0,4,20): - c =Circuit(2) - c.add(gates.CNOT(0,1)) - c.add(gates.RZ(1,theta = t)) - c.add(gates.CNOT(0,1)) - u = c.unitary() - d = SymbolicHamiltonian(symbols.Z(0)*symbols.Z(1),nqubits=2) - l.append(np.linalg.norm(d.exp(t/2) -u)) - plt.plot(l) - - - n=3 - eo_d_Ising = IsingNNEvolutionOracle([0]*n,[1]*n) - - l = [] - for t in np.linspace(0,4,20): - u = circuit(eo_d_Ising,t).unitary() - l.append(np.linalg.norm(eo_d_Ising.h.exp(t) -u)) - plt.plot(l) - print(circuit(eo_d_Ising,t).draw()) - +@dataclass class XXZ_EvolutionOracle(EvolutionOracle): - def __init__( - self, - nqubits, - name = "XXZ", - mode_evolution_oracle: EvolutionOracleType = EvolutionOracleType.hamiltonian_simulation, - steps=None, - order=None, - delta = 0.5 - ): - super().__init__( - XXZ_EvolutionOracle.xxz_symbolic(nqubits, delta = delta), - name, - mode_evolution_oracle + steps: int = None + order: int = None + delta: float = 0.5 + + @classmethod + def from_nqubits(cls, nqubits, delta, **kwargs): + hamiltonian = SymbolicHamiltonian( + sum( + [ + symbols.X(j) * symbols.X(j + 1) + + symbols.Y(j) * symbols.Y(j + 1) + + delta * symbols.Z(j) * symbols.Z(j + 1) + for j in range(nqubits - 1) + ] + + [ + symbols.X(nqubits - 1) * symbols.X(0) + + symbols.Y(nqubits - 1) * symbols.Y(0) + + delta * symbols.Z(nqubits - 1) * symbols.Z(0) + ] + ), + nqubits=nqubits, + ) + return cls( + h=hamiltonian, + evolution_oracle_type=EvolutionOracleType.hamiltonian_simulation, + **kwargs, ) - if steps is None: - self.steps = 1 - else: - self.steps = steps - if order is None: - self.order = 1 - else: - self.order = order - self.nqubits = nqubits - self.delta = delta - self.please_assess_how_many_steps_to_use = False - - def discretized_evolution_circuit_binary_search(self, t_duration, eps=None): - if self.please_assess_how_many_steps_to_use: - return super().discretized_evolution_circuit_binary_search(t_duration,eps=eps) - else: - return self.h.circuit(t_duration) - def circuit(self, t_duration,steps=None,order=None): + def circuit(self, t_duration, steps=None, order=None): if steps is None: steps = self.steps if order is None: order = self.order return nqubit_XXZ_decomposition( - nqubits=self.h.nqubits,t=t_duration,delta=self.delta,steps=steps,order=order) - - @staticmethod - def xxz_symbolic(nqubits, delta = 0.5): - return SymbolicHamiltonian( - sum([ symbols.X(j)*symbols.X(j+1) + symbols.Y(j)*symbols.Y(j+1) +delta*symbols.Z(j)*symbols.Z(j+1) for j in range(nqubits-1)] - + [ symbols.X(nqubits-1)*symbols.X(0) + symbols.Y(nqubits-1)*symbols.Y(0) +delta*symbols.Z(nqubits-1)*symbols.Z(0)]), - nqubits= nqubits - ) - - - - - + nqubits=self.h.nqubits, + t=t_duration, + delta=self.delta, + steps=steps, + order=order, + ) diff --git a/src/boostvqe/models/dbi/group_commutator_iteration_transpiler.py b/src/boostvqe/models/dbi/group_commutator_iteration_transpiler.py index 4755f82..7f7e231 100644 --- a/src/boostvqe/models/dbi/group_commutator_iteration_transpiler.py +++ b/src/boostvqe/models/dbi/group_commutator_iteration_transpiler.py @@ -1,12 +1,13 @@ +from dataclasses import dataclass from enum import Enum, auto import hyperopt import numpy as np - from qibo import * -from qibo import symbols, gates +from qibo import gates, symbols from qibo.config import raise_error from qibo.hamiltonians import Hamiltonian, SymbolicHamiltonian + from boostvqe.models.dbi import * from boostvqe.models.dbi.double_bracket import * from boostvqe.models.dbi.double_bracket_evolution_oracles import * @@ -15,69 +16,42 @@ class DoubleBracketRotationType(Enum): # The dbr types below need a diagonal input matrix $\hat D_k$ : - single_commutator = auto() - """Use single commutator.""" - group_commutator = auto() """Use group commutator approximation""" - group_commutator_reordered = auto() """Use group commutator approximation with reordering of the operators""" - group_commutator_reduced = auto() """Use group commutator approximation with a reduction using symmetry""" group_commutator_third_order = auto() """Higher order approximation """ group_commutator_third_order_reduced = auto() """Higher order approximation """ - group_commutator_mix_twice = auto() - group_commutator_reduced_twice = auto() - group_commutator_third_order_reduced_twice = auto() +@dataclass class GroupCommutatorIterationWithEvolutionOracles(DoubleBracketIteration): """ Class which will be later merged into the @super somehow""" - def __init__( - self, - input_hamiltonian_evolution_oracle: EvolutionOracle, - mode_double_bracket_rotation: DoubleBracketRotationType = DoubleBracketRotationType.group_commutator, - h_ref = None - ): - if mode_double_bracket_rotation is DoubleBracketRotationType.single_commutator: - mode_double_bracket_rotation_old = ( - DoubleBracketGeneratorType.single_commutator - ) - else: - mode_double_bracket_rotation_old = ( - DoubleBracketGeneratorType.group_commutator - ) - super().__init__( - input_hamiltonian_evolution_oracle.h, mode_double_bracket_rotation_old - ) - if h_ref is not None: - self.h_ref = h_ref - else: - self.h_ref = deepcopy(input_hamiltonian_evolution_oracle.h) - self.input_hamiltonian_evolution_oracle = input_hamiltonian_evolution_oracle - - self.mode_double_bracket_rotation = mode_double_bracket_rotation + input_hamiltonian_evolution_oracle: EvolutionOracle + double_bracket_rotation_type: DoubleBracketRotationType - self.gci_unitary = [] - self.gci_unitary_dagger = [] + def __post_init__(self): self.iterated_hamiltonian_evolution_oracle = deepcopy( self.input_hamiltonian_evolution_oracle ) - self.please_evaluate_matrices = False - self.default_step_grid = np.linspace(0.001,0.03, 10) - self.eo_d = MagneticFieldEvolutionOracle([1]*self.nqubits) - self.please_save_fig_to_pdf = False - + @property + def nqubits(self): + return self.h.nqubits + + @property + def h(self): + return self.input_hamiltonian_evolution_oracle.h + def __call__( self, step_duration: float, @@ -88,67 +62,27 @@ def __call__( diagonal_association = self.eo_d # Set rotation type if mode_dbr is None: - mode_dbr = self.mode_double_bracket_rotation - - if mode_dbr is DoubleBracketRotationType.single_commutator: - raise_error( - ValueError, - "single_commutator DBR mode doesn't make sense with EvolutionOracle", - ) + mode_dbr = self.double_bracket_rotation_type # This will run the appropriate group commutator step rs_circ = self.recursion_step_circuit( step_duration, diagonal_association, mode_dbr=mode_dbr ) - if self.input_hamiltonian_evolution_oracle.mode_evolution_oracle\ - is EvolutionOracleType.numerical: + if ( + self.input_hamiltonian_evolution_oracle.evolution_oracle_type + is EvolutionOracleType.numerical + ): rs_circ_inv = np.linalg.inv(rs_circ) else: rs_circ_inv = rs_circ.invert() - self.iterated_hamiltonian_evolution_oracle = FrameShiftedEvolutionOracle( - deepcopy(self.iterated_hamiltonian_evolution_oracle), - str(step_duration), - rs_circ_inv, - rs_circ, - ) - - if self.please_evaluate_matrices: - if ( - self.input_hamiltonian_evolution_oracle.mode_evolution_oracle - is EvolutionOracleType.numerical - ): - self.h.matrix = rs_circ_inv_ @ self.h.matrix @ rs_circ - - elif ( - self.input_hamiltonian_evolution_oracle.mode_evolution_oracle - is EvolutionOracleType.hamiltonian_simulation - ): - - self.h.matrix = ( - rs_circ_inv.unitary() @ self.h.matrix @ rs_circ.unitary() - ) - - elif ( - self.input_hamiltonian_evolution_oracle.mode_evolution_oracle - is EvolutionOracleType.text_strings - ): - raise_error(NotImplementedError) - else: - super().__call__(step_duration, diagonal_association.h.dense.matrix) - def eval_gcr_unitary( - self, - step_duration: float, - eo_1: EvolutionOracle, - eo_2: EvolutionOracle = None, - mode_dbr: DoubleBracketRotationType = None, - ): - u = self.recursion_step_circuit(step_duration, eo_1, eo_2, mode_dbr=mode_dbr) - - if eo_1.mode_evolution_oracle is EvolutionOracleType.hamiltonian_simulation: - return u.unitary() - elif eo_1.mode_evolution_oracle is EvolutionOracleType.numerical: - return u + self.iterated_hamiltonian_evolution_oracle = ( + FrameShiftedEvolutionOracle.from_evolution_oracle( + deepcopy(self.iterated_hamiltonian_evolution_oracle), + rs_circ_inv, + rs_circ, + ) + ) def group_commutator( self, @@ -161,26 +95,18 @@ def group_commutator( if eo_2 is None: eo_2 = self.iterated_hamiltonian_evolution_oracle - assert eo_1.mode_evolution_oracle.value is eo_2.mode_evolution_oracle.value - if mode_dbr is None: - gc_type = self.mode_double_bracket_rotation + gc_type = self.double_bracket_rotation_type else: gc_type = mode_dbr - if gc_type is DoubleBracketRotationType.single_commutator: - raise_error( - ValueError, - "You are trying to get the group commutator query list but your dbr mode is single_commutator and not an approximation by means of a product formula!", - ) - if gc_type is DoubleBracketRotationType.group_commutator: query_list_forward = [ deepcopy(eo_2).circuit(s_step), deepcopy(eo_1).circuit(s_step), deepcopy(eo_2).circuit(-s_step), deepcopy(eo_1).circuit(-s_step), - ] + ] query_list_backward = [ deepcopy(eo_1).circuit(s_step), deepcopy(eo_2).circuit(s_step), @@ -218,45 +144,60 @@ def group_commutator( deepcopy(eo_2).circuit(s_step), deepcopy(eo_1).circuit(s_step * (np.sqrt(5) + 1) / 2), deepcopy(eo_2).circuit(-s_step * (3 - np.sqrt(5)) / 2), - deepcopy(eo_1).circuit(-s_step) + deepcopy(eo_1).circuit(-s_step), ] - query_list_backward = [ Circuit.invert(c) for c in query_list_forward[::-1]] + query_list_backward = [Circuit.invert(c) for c in query_list_forward[::-1]] elif gc_type is DoubleBracketRotationType.group_commutator_third_order_reduced: query_list_forward = [ deepcopy(eo_1).circuit(-s_step * (np.sqrt(5) - 1) / 2), deepcopy(eo_2).circuit(s_step), deepcopy(eo_1).circuit(s_step * (np.sqrt(5) + 1) / 2), deepcopy(eo_2).circuit(-s_step * (3 - np.sqrt(5)) / 2), - deepcopy(eo_1).circuit(-s_step) + deepcopy(eo_1).circuit(-s_step), ] - query_list_backward = [ Circuit.invert(c) for c in query_list_forward[::-1]] + query_list_backward = [Circuit.invert(c) for c in query_list_forward[::-1]] elif gc_type is DoubleBracketRotationType.group_commutator_mix_twice: - s_step = (step_duration/2) - c1 = self.group_commutator(s_step, eo_1,eo_2, mode_dbr=DoubleBracketRotationType.group_commutator)["forwards"] - c2 = self.group_commutator(s_step, eo_1,eo_2, mode_dbr=DoubleBracketRotationType.group_commutator_reduced)["forwards"] - return {"forwards": c2+c1, "backwards": (c2+c1).invert()} + s_step = step_duration / 2 + c1 = self.group_commutator( + s_step, eo_1, eo_2, mode_dbr=DoubleBracketRotationType.group_commutator + )["forwards"] + c2 = self.group_commutator( + s_step, + eo_1, + eo_2, + mode_dbr=DoubleBracketRotationType.group_commutator_reduced, + )["forwards"] + return {"forwards": c2 + c1, "backwards": (c2 + c1).invert()} elif gc_type is DoubleBracketRotationType.group_commutator_reduced_twice: - s_step = (step_duration/2) - c1 = self.group_commutator(s_step, eo_1,eo_2, mode_dbr=DoubleBracketRotationType.group_commutator_reduced)["forwards"] - return {"forwards": c1+c1, "backwards": (c1+c1).invert()} - elif gc_type is DoubleBracketRotationType.group_commutator_third_order_reduced_twice: - s_step = (step_duration/2) - c1 = self.group_commutator(s_step, eo_1,eo_2, mode_dbr=DoubleBracketRotationType.group_commutator_third_order_reduced)["forwards"] - return {"forwards": c1+c1, "backwards": (c1+c1).invert()} + s_step = step_duration / 2 + c1 = self.group_commutator( + s_step, + eo_1, + eo_2, + mode_dbr=DoubleBracketRotationType.group_commutator_reduced, + )["forwards"] + return {"forwards": c1 + c1, "backwards": (c1 + c1).invert()} + elif ( + gc_type + is DoubleBracketRotationType.group_commutator_third_order_reduced_twice + ): + s_step = step_duration / 2 + c1 = self.group_commutator( + s_step, + eo_1, + eo_2, + mode_dbr=DoubleBracketRotationType.group_commutator_third_order_reduced, + )["forwards"] + return {"forwards": c1 + c1, "backwards": (c1 + c1).invert()} else: raise_error( ValueError, "You are in the group commutator query list but your dbr mode is not recognized", ) - eo_mode = eo_1.mode_evolution_oracle + eo_mode = eo_1.evolution_oracle_type - if eo_mode is EvolutionOracleType.text_strings: - return { - "forwards": reduce(str.__add__, query_list_forward), - "backwards": reduce(str.__add__, query_list_backward), - } - elif eo_mode is EvolutionOracleType.hamiltonian_simulation: + if eo_mode is EvolutionOracleType.hamiltonian_simulation: return { "forwards": reduce(Circuit.__add__, query_list_forward[::-1]), "backwards": reduce(Circuit.__add__, query_list_backward[::-1]), @@ -269,7 +210,7 @@ def group_commutator( else: raise_error(ValueError, "Your EvolutionOracleType is not recognized") - def loss(self, step_duration: float = None, eo_d = None, mode_dbr = None): + def loss(self, step_duration: float = None, eo_d=None, mode_dbr=None): """ Compute loss function distance between `look_ahead` steps. @@ -278,134 +219,80 @@ def loss(self, step_duration: float = None, eo_d = None, mode_dbr = None): d (np.array): diagonal operator, use canonical by default. look_ahead (int): number of iteration steps to compute the loss function; """ - - circ = self.get_composed_circuit() + + circ = self.get_composed_circuit() if step_duration is not None: circ = self.recursion_step_circuit(step_duration, eo_d, mode_dbr) + circ - return self.h_ref.expectation( circ().state() ) - - def choose_step( self, - step_grid = None, + return self.h.expectation(circ().state()) + + def choose_step( + self, + step_grid=None, step_min: float = 1e-3, - step_max: float = .03, - s_guess = 1e-5, - max_evals: int = 3, + step_max: float = 0.03, + s_guess=1e-5, + max_evals: int = 3, optimizer: callable = None, look_ahead: int = 1, please_be_verbose: bool = False, - d = None, - mode_dbr = None - ): - + d=None, + mode_dbr=None, + ): if step_grid is None: - step_grid = np.linspace(step_min,step_max,max_evals) + step_grid = np.linspace(step_min, step_max, max_evals) losses = [] for s in step_grid: - losses.append(self.loss(s,d, mode_dbr)) + losses.append(self.loss(s, d, mode_dbr)) if please_be_verbose: print(losses) return step_grid[np.argmin(losses)], np.min(losses), losses - - def get_composed_circuit(self,step_duration = None, eo_d = None): - """ Get the ordered composition of all previous circuits regardless of previous mode_dbr - settings.""" + + def get_composed_circuit(self, step_duration=None, eo_d=None): + """Get the ordered composition of all previous circuits regardless of previous mode_dbr + settings.""" if step_duration is None or eo_d is None: - return self.iterated_hamiltonian_evolution_oracle.get_composed_circuit() + return self.iterated_hamiltonian_evolution_oracle.get_composed_circuit() else: - return (self.recursion_step_circuit(step_duration,eo_d) - + self.iterated_hamiltonian_evolution_oracle.get_composed_circuit()) - - def recursion_step_circuit(self,step_duration, eo_d, mode_dbr = None): - return self.group_commutator(step_duration = step_duration, - eo_1 = eo_d, mode_dbr=mode_dbr)["forwards"] + return ( + self.recursion_step_circuit(step_duration, eo_d) + + self.iterated_hamiltonian_evolution_oracle.get_composed_circuit() + ) + + def recursion_step_circuit(self, step_duration, eo_d, mode_dbr=None): + return self.group_commutator( + step_duration=step_duration, eo_1=eo_d, mode_dbr=mode_dbr + )["forwards"] @staticmethod def count_gates(circuit, gate_type): - t=0 + t = 0 for g in circuit.queue: if isinstance(g, gate_type): - t = t +1 + t = t + 1 return t - - def count_CNOTs(self,circuit = None): - if circuit is None: - circuit = self.get_composed_circuit( ) - return self.count_gates( circuit, gates.gates.CNOT ) - - def count_CZs(self,circuit = None): - if circuit is None: - circuit = self.get_composed_circuit( ) - return self.count_gates( circuit, gates.gates.CZ ) - - def get_gate_count_dict(self): - return dict(nmb_cz = self.count_CZs(), - nmb_cnot = self.count_CNOTs(), - nmb_cnot_relative = self.count_CZs()/self.nqubits, - nmb_cz_relative = self.count_CNOTs()/self.nqubits) - - def print_gate_count_report(self): - counts = self.get_gate_count_dict() - print(f"The boosting circuit used {counts['nmb_cnot']} CNOT gates coming from compiled XXZ evolution and {counts['nmb_cz']} CZ gates from VQE.\n\ -For {self.nqubits} qubits this gives n_CNOT/n_qubits = {counts['nmb_cnot_relative']} and n_CZ/n_qubits = {counts['nmb_cz_relative']}") - - -class VQEBoostingGroupCommutatorIteration(GroupCommutatorIterationWithEvolutionOracles): - def __init__( - self, - input_hamiltonian_evolution_oracle: EvolutionOracle, - mode_double_bracket_rotation: DoubleBracketRotationType = DoubleBracketRotationType.group_commutator, - path = None, - h_ref = None - ): - super().__init__( input_hamiltonian_evolution_oracle, - mode_double_bracket_rotation, - h_ref = None ) - hamiltonian = hamiltonians.XXZ(nqubits=self.nqubits, delta=0.5) - self.h_ref = hamiltonian - self.vqe =input_hamiltonian_evolution_oracle.vqe - - eigenergies = hamiltonian.eigenvalues() - target_energy = np.min(eigenergies) - self.h.target_energy = target_energy - eigenergies.sort() - gap = eigenergies[1] - target_energy - self.h.gap = gap - self.h.ground_state = hamiltonian.eigenvectors()[:,0] + def count_CNOTs(self, circuit=None): + if circuit is None: + circuit = self.get_composed_circuit() + return self.count_gates(circuit, gates.gates.CNOT) - self.vqe_energy = hamiltonian.expectation(input_hamiltonian_evolution_oracle.vqe.circuit().state()) - - b_list = [1+np.sin(x/3)for x in range(10)] - self.eo_d = MagneticFieldEvolutionOracle(b_list,name = "D(B = 1+sin(x/3))") - self.default_step_grid = np.linspace(0.003,0.004,10) + def count_CZs(self, circuit=None): + if circuit is None: + circuit = self.get_composed_circuit() + return self.count_gates(circuit, gates.gates.CZ) - self.path = path - self.boosting_callback_data = [self.get_vqe_boosting_data()] - def get_vqe_boosting_data(self, nmb_digits_rounding = 2): - gci_loss = self.loss() + def get_gate_count_dict(self): return dict( - gci_loss = gci_loss, - vqe_energy = self.vqe_energy, - target_energy = self.h.target_energy, - diff_vqe_target = self.vqe_energy-self.h.target_energy, - diff_gci_target = gci_loss-self.h.target_energy, - gap = self.h.gap, - diff_vqe_target_perc = abs(self.vqe_energy-self.h.target_energy)/abs(self.h.target_energy)*100, - diff_gci_target_perc = abs(gci_loss-self.h.target_energy)/abs(self.h.target_energy)*100, - fidelity_witness_vqe = self.gnd_state_fidelity_witness(self.vqe_energy), - fidelity_witness_gci = self.gnd_state_fidelity_witness(gci_loss), - fidelity_vqe = self.gnd_state_fidelity( input_state = self.vqe.circuit().state()), - fidelity_gci = self.gnd_state_fidelity(), - eo_d = self.eo_d, - circuit_at_step = self.get_composed_circuit() - ) | self.get_gate_count_dict() - def gnd_state_fidelity_witness(self,e_state = None): - if e_state is None: - e_state = self.loss() - return 1 - (e_state-self.h.target_energy) / self.h.gap + nmb_cz=self.count_CZs(), + nmb_cnot=self.count_CNOTs(), + nmb_cnot_relative=self.count_CZs() / self.nqubits, + nmb_cz_relative=self.count_CNOTs() / self.nqubits, + ) - def gnd_state_fidelity(self, input_state = None): - if input_state is None: - input_state = self.get_composed_circuit()().state() - return abs( self.h.ground_state.T.conj() @ input_state )**2 \ No newline at end of file + def print_gate_count_report(self): + counts = self.get_gate_count_dict() + print( + f"The boosting circuit used {counts['nmb_cnot']} CNOT gates coming from compiled XXZ evolution and {counts['nmb_cz']} CZ gates from VQE.\n\ +For {self.nqubits} qubits this gives n_CNOT/n_qubits = {counts['nmb_cnot_relative']} and n_CZ/n_qubits = {counts['nmb_cz_relative']}" + ) diff --git a/src/boostvqe/models/dbi/utils_gci_optimization.py b/src/boostvqe/models/dbi/utils_gci_optimization.py index 538b77f..6706fe0 100644 --- a/src/boostvqe/models/dbi/utils_gci_optimization.py +++ b/src/boostvqe/models/dbi/utils_gci_optimization.py @@ -1,47 +1,63 @@ import hyperopt - from qibo.backends import _check_backend + from boostvqe.models.dbi.double_bracket import * from boostvqe.models.dbi.utils import * -def diagonal_1_pauli_z(i,n): + +def diagonal_1_pauli_z(i, n): """See Eq. 3 in https://arxiv.org/abs/1707.05181""" i += 1 - block_size = 2**(n-i) + block_size = 2 ** (n - i) - plus_block = [1]*block_size - minus_block = [-1]*block_size + plus_block = [1] * block_size + minus_block = [-1] * block_size block = plus_block + minus_block - return np.array(block * (2**(i-1))) + return np.array(block * (2 ** (i - 1))) -def diagonal_product_pauli_z(i_list,n): + +def diagonal_product_pauli_z(i_list, n): """Diagonal matrices remain diagonal following matrix multiplication""" diagonals = [] for i in i_list: - diagonals.append(diagonal_1_pauli_z(i%n,n)) - return np.prod(np.array(diagonals), axis = 0) + diagonals.append(diagonal_1_pauli_z(i % n, n)) + return np.prod(np.array(diagonals), axis=0) + -def dephasing_approximation(h_matrix: np.array, order = 1): +def dephasing_approximation(h_matrix: np.array, order=1): """finds the approximation long-range Ising decomposition of the diagonal of the hamiltonian `h_matrix`""" nqubits = int(np.log2(h_matrix.shape[0])) diagonal = np.diag(h_matrix) - order_1 = [ diagonal.T @ diagonal_1_pauli_z(i,nqubits) / 2**nqubits for i in range(nqubits)] - order_2 = [ diagonal.T @ diagonal_product_pauli_z([i,j],nqubits) / 2**nqubits for i,j in itertools.product(range(nqubits),range(nqubits))] + order_1 = [ + diagonal.T @ diagonal_1_pauli_z(i, nqubits) / 2**nqubits + for i in range(nqubits) + ] + order_2 = [ + diagonal.T @ diagonal_product_pauli_z([i, j], nqubits) / 2**nqubits + for i, j in itertools.product(range(nqubits), range(nqubits)) + ] return {1: order_1, 2: order_2} -def nn_dephasing_approximation(h_matrix: np.array, order = 1): + +def nn_dephasing_approximation(h_matrix: np.array, order=1): """finds the approximation nearest neighbor Ising decomposition of the diagonal of the hamiltonian `h_matrix`""" nqubits = int(np.log2(h_matrix.shape[0])) diagonal = np.diag(h_matrix) - order_1 = [ diagonal.T @ diagonal_1_pauli_z(i,nqubits) / 2**nqubits for i in range(nqubits)] - order_2 = [ diagonal.T @ diagonal_product_pauli_z([i,i+1],nqubits) / 2**nqubits for i in range(nqubits)] + order_1 = [ + diagonal.T @ diagonal_1_pauli_z(i, nqubits) / 2**nqubits + for i in range(nqubits) + ] + order_2 = [ + diagonal.T @ diagonal_product_pauli_z([i, i + 1], nqubits) / 2**nqubits + for i in range(nqubits) + ] return {1: order_1, 2: order_2} @@ -52,7 +68,7 @@ def gradient_numerical_circuits( s: float = 1e-2, delta: float = 1e-3, backend=None, - loss_0 = None, + loss_0=None, **kwargs, ): r""" @@ -79,27 +95,26 @@ def gradient_numerical_circuits( params_new[i] += delta d_new = MagneticFieldEvolutionOracle(params_new) # find the increment of a very small step - grad[i] = (dbi_object.loss(s, d_new) - loss_0 ) / delta + grad[i] = (dbi_object.loss(s, d_new) - loss_0) / delta return grad + def gradient_descent_circuits( dbi_object: DoubleBracketIteration, train_epochs: int, d_params_init: list, times_choose_step: list, lr: float = 1e-2, - step_guess = 0.01 + step_guess=0.01, ): - nqubits = dbi_object.nqubits d_params_store = [] s_store = [] loss_store = [] - eo_d = MagneticFieldEvolutionOracle(d_params_init) - step_guess,loss,_ = dbi_object.choose_step(d = eo_d, times = times_choose_step) + step_guess, loss, _ = dbi_object.choose_step(d=eo_d, times=times_choose_step) d_params_test = d_params_init for i in range(train_epochs): @@ -110,11 +125,13 @@ def gradient_descent_circuits( d_params_test, ParameterizationTypes.circuits, s=step_guess, - loss_0 = loss + loss_0=loss, ) d_params_test = [d_params_init[j] - grad[j] * lr for j in range(len(grad))] d = MagneticFieldEvolutionOracle(d_params_test) - step_guess, loss,_ = dbi_object.choose_step(d=d,times = times_choose_step,verbose=False) + step_guess, loss, _ = dbi_object.choose_step( + d=d, times=times_choose_step, verbose=False + ) print(loss) d_params_store.append(d_params_test) s_store.append(step_guess) @@ -133,22 +150,18 @@ def gradient_descent_circuits_lr( train_epochs: int, d_params_init: list, lr: float = 1e-2, - step_guess = 0.01 + step_guess=0.01, ): - nqubits = dbi_object.nqubits d_params_store = [] s_store = [] loss_store = [] - d_init = params_to_diagonal_operator( - d_params_init, - nqubits, - parameterization=ParameterizationTypes.circuits - ) - s,loss = gci.choose_step(d = d_init, max_evals = 50) + d_params_init, nqubits, parameterization=ParameterizationTypes.circuits + ) + s, loss = gci.choose_step(d=d_init, max_evals=50) print(loss) d_params_test = d_params_init for i in range(train_epochs): @@ -159,19 +172,17 @@ def gradient_descent_circuits_lr( d_params_test, ParameterizationTypes.circuits, s=0.004, - loss_0 = loss + loss_0=loss, ) d_params_store_lr = [] s_store_lr = [] loss_store_lr = [] - for lr in np.linspace(1,1e3,9): + for lr in np.linspace(1, 1e3, 9): d_params_test = [d_params_init[j] - grad[j] * lr for j in range(len(grad))] d = params_to_diagonal_operator( - d_params_test, - nqubits, - parameterization=ParameterizationTypes.circuits + d_params_test, nqubits, parameterization=ParameterizationTypes.circuits ) - #step_guess, loss = dbi_object.choose_step(d=d,step_min=1e-5,step_max=0.1, max_evals=35,verbose=False) + # step_guess, loss = dbi_object.choose_step(d=d,step_min=1e-5,step_max=0.1, max_evals=35,verbose=False) print(loss) d_params_store_lr.append(d_params_test) @@ -182,8 +193,8 @@ def gradient_descent_circuits_lr( idx_min = loss_store_lr.index(loss) - d_params_test = d_params_store_lr[idx_min] - d_params_store.append(d_params_test) + d_params_test = d_params_store_lr[idx_min] + d_params_store.append(d_params_test) step_guess = s_store_lr[idx_min] s_store.append(step_guess) loss_store.append(loss) @@ -200,16 +211,21 @@ def gradient_descent_circuits_lr( def get_gd_evolution_oracle(n_local, params): if n_local == 1: - return MagneticFieldEvolutionOracle(params) + return MagneticFieldEvolutionOracle.from_b(params) elif n_local == 2: - return IsingNNEvolutionOracle(params[:int(len(params)/2)], params[int(len(params)/2):]) + return IsingNNEvolutionOracle( + params[: int(len(params) / 2)], params[int(len(params) / 2) :] + ) else: - raise_error(ValueError, "Model not supported, change `n_local` to values in [1, 2]") - + raise_error( + ValueError, "Model not supported, change `n_local` to values in [1, 2]" + ) + + def gradient_numerical( loss_function, n_local, - params: list, + params: list, loss_0, s_0, delta: float = 1e-3, @@ -220,59 +236,80 @@ def gradient_numerical( params_new[i] += delta eo_d = get_gd_evolution_oracle(n_local, params_new) # find the increment of a very small step - grad[i] = (loss_function(s_0, eo_d) - loss_0 ) / delta - + grad[i] = (loss_function(s_0, eo_d) - loss_0) / delta + # normalize gradient grad = grad / max(abs(grad)) return grad from boostvqe.models.dbi.utils_scheduling import adaptive_binary_search -def choose_gd_params(gci, - n_local, - params, - loss_0, - s_0, - s_min=1e-4, - s_max=2e-2, - lr_min=1e-4, - lr_max=1, - threshold=1e-4, - max_eval=30, - please_be_adaptive = True, - please_be_verbose = False - ): + + +def choose_gd_params( + gci, + n_local, + params, + loss_0, + s_0, + s_min=1e-4, + s_max=2e-2, + lr_min=1e-4, + lr_max=1, + threshold=1e-4, + max_eval=30, + please_be_adaptive=True, + please_be_verbose=False, +): evaluated_points = {} max_eval = int(np.sqrt(max_eval)) grad = gradient_numerical(gci.loss, n_local, params, loss_0, s_0) def loss_func_lr(lr): - filtered_entries = {k:v for k, v in evaluated_points.items() if k[0]==lr} + filtered_entries = {k: v for k, v in evaluated_points.items() if k[0] == lr} if len(filtered_entries) > 0: return min(filtered_entries.values()) elif lr < 0: return float("inf") else: - params_eval = (1 - grad*lr) * deepcopy(params) + params_eval = (1 - grad * lr) * deepcopy(params) eo_d = get_gd_evolution_oracle(n_local, params_eval) # given lr find best possible s_min and loss_min if please_be_adaptive: - best_s, best_loss, evaluated_points_s, exit_criterion = adaptive_binary_search(lambda s: gci.loss(s, eo_d) if s>0 else float("inf"), - threshold, s_min, s_max, max_eval) + ( + best_s, + best_loss, + evaluated_points_s, + exit_criterion, + ) = adaptive_binary_search( + lambda s: gci.loss(s, eo_d) if s > 0 else float("inf"), + threshold, + s_min, + s_max, + max_eval, + ) else: - best_s, best_loss, evaluated_points_s = gci.choose_step(d = eo_d,s_min=1e-4, s_max=2e-2, max_eval = max_eval) + best_s, best_loss, evaluated_points_s = gci.choose_step( + d=eo_d, s_min=1e-4, s_max=2e-2, max_eval=max_eval + ) - for s,l in evaluated_points_s.items(): + for s, l in evaluated_points_s.items(): if l < 0: evaluated_points[(lr, s)] = l if please_be_verbose: - print(f"For lr = {lr} found optimal s = {best_s} yielding loss = {best_loss} after terminating with {exit_criterion}") + print( + f"For lr = {lr} found optimal s = {best_s} yielding loss = {best_loss} after terminating with {exit_criterion}" + ) return best_loss - - best_lr, best_loss, _ ,exit_criterion = adaptive_binary_search(loss_func_lr, threshold, lr_min, lr_max, max_eval) + + best_lr, best_loss, _, exit_criterion = adaptive_binary_search( + loss_func_lr, threshold, lr_min, lr_max, max_eval + ) if please_be_verbose: - print(f"For lr = {lr} found optimal s = {best_s} yielding loss = {best_loss} after terminating with {exit_criterion}") - best_params = (1-grad*best_lr)*deepcopy(params) + print( + f"For lr = {lr} found optimal s = {best_s} yielding loss = {best_loss} after terminating with {exit_criterion}" + ) + best_params = (1 - grad * best_lr) * deepcopy(params) eo_d = get_gd_evolution_oracle(n_local, best_params) # find best_s for (lr, s), loss in evaluated_points.items(): @@ -281,17 +318,25 @@ def loss_func_lr(lr): return eo_d, best_s, best_loss, evaluated_points, best_params, best_lr - -def evaluate_histogram_data(gci_object, input_field, nmb_shots=10, randomization_amp = 0.2): - # this is quite simple - just pass a diagonal SymbolicHamiltonian +def evaluate_histogram_data( + gci_object, input_field, nmb_shots=10, randomization_amp=0.2 +): + # this is quite simple - just pass a diagonal SymbolicHamiltonian # and because it will be commuting we can use the member function circuit for compiling fields = [] losses = [] steps = [] for j in range(nmb_shots): - field = [a+b for a,b in zip(np.random.rand(len(input_field))*randomization_amp,input_field)] - eo_d = MagneticFieldEvolutionOracle(field,name = "D(linear)") - step,loss, _ = gci_object.choose_step(d = eo_d,max_evals=34,step_min = 0.0051,step_max = 0.03) + field = [ + a + b + for a, b in zip( + np.random.rand(len(input_field)) * randomization_amp, input_field + ) + ] + eo_d = MagneticFieldEvolutionOracle(field, name="D(linear)") + step, loss, _ = gci_object.choose_step( + d=eo_d, max_evals=34, step_min=0.0051, step_max=0.03 + ) losses.append(loss) fields.append(field) steps.append(step) @@ -300,23 +345,38 @@ def evaluate_histogram_data(gci_object, input_field, nmb_shots=10, randomization print(np.min(losses)) f = fields[np.argmin(losses)] s = steps[np.argmin(losses)] - return f,s, np.min(losses), fields, steps, losses + return f, s, np.min(losses), fields, steps, losses + def get_linspace_approximation_field(): - return [-0.25024438, -0.12512219, -0.06256109, -0.03128055, -0.01564027, -0.00782014, - -0.00391007, -0.00195503, -0.00097752, -0.00048876] + return [ + -0.25024438, + -0.12512219, + -0.06256109, + -0.03128055, + -0.01564027, + -0.00782014, + -0.00391007, + -0.00195503, + -0.00097752, + -0.00048876, + ] + def get_mareks_favorite_field(): - return [1+np.sin(x/3) for x in range(10)] + return [1 + np.sin(x / 3) for x in range(10)] + def get_best_exhaustive_10q_7l(): - return [1.0074343565408288, - 1.1483550802051337, - 1.1152574570741454, - 1.1207635311034556, - 1.0290334907280279, - 1.0582973691183888, - 1.0009000697562873, - 1.0467850494221564, - 1.0291778083015108, - 1.180909625995888] \ No newline at end of file + return [ + 1.0074343565408288, + 1.1483550802051337, + 1.1152574570741454, + 1.1207635311034556, + 1.0290334907280279, + 1.0582973691183888, + 1.0009000697562873, + 1.0467850494221564, + 1.0291778083015108, + 1.180909625995888, + ] diff --git a/src/boostvqe/models/dbi/utils_scheduling.py b/src/boostvqe/models/dbi/utils_scheduling.py index bfaedc2..0f593f9 100644 --- a/src/boostvqe/models/dbi/utils_scheduling.py +++ b/src/boostvqe/models/dbi/utils_scheduling.py @@ -213,10 +213,9 @@ def simulated_annealing_step( def adaptive_binary_search(loss_func, threshold=1e-4, a=0, b=2, max_eval=10): - evaluated_points = {} eval_count = {} - delta_loss = float('inf') + delta_loss = float("inf") def eval_func_at_points(eval_points): for point in eval_points: @@ -226,19 +225,19 @@ def eval_func_at_points(eval_points): val = loss_func(point) evaluated_points[point] = val len(evaluated_points.values()) - - grid = (b-a)/2 - eval_points = [a, a+grid, b] + + grid = (b - a) / 2 + eval_points = [a, a + grid, b] eval_func_at_points(eval_points) - + while True: eval_vals = list(evaluated_points.values()) eval_grid = list(evaluated_points.keys()) loss_0 = min(eval_vals) - ind_min_val = np.argmin(eval_vals) - + ind_min_val = np.argmin(eval_vals) + if eval_grid[ind_min_val] == min(eval_grid): - a = a - grid + a = a - grid eval_func_at_points([a]) elif eval_grid[ind_min_val] == max(eval_grid): b = b + grid @@ -250,19 +249,20 @@ def eval_func_at_points(eval_points): eval_vals = list(evaluated_points.values()) eval_grid = list(evaluated_points.keys()) loss_0 = min(eval_vals) - ind_min_val = np.argmin(eval_vals) + ind_min_val = np.argmin(eval_vals) - - delta_loss = min([abs(loss_0 - v) for i,v in enumerate(eval_vals) if i != ind_min_val]) + delta_loss = min( + [abs(loss_0 - v) for i, v in enumerate(eval_vals) if i != ind_min_val] + ) if len(evaluated_points.values()) > max_eval: exit_criterion = "max_evals" break - if delta_loss < threshold: + if delta_loss < threshold: exit_criterion = "tolerance achieved" break - - grid /=2 - eval_points = [eval_grid[ind_min_val]-grid, eval_grid[ind_min_val]+grid] + + grid /= 2 + eval_points = [eval_grid[ind_min_val] - grid, eval_grid[ind_min_val] + grid] eval_func_at_points(eval_points) - return eval_grid[ind_min_val], loss_0, evaluated_points, exit_criterion \ No newline at end of file + return eval_grid[ind_min_val], loss_0, evaluated_points, exit_criterion diff --git a/src/boostvqe/utils.py b/src/boostvqe/utils.py index 202faa9..7f4b70f 100644 --- a/src/boostvqe/utils.py +++ b/src/boostvqe/utils.py @@ -23,6 +23,7 @@ GRADS_FILE = "gradients" HAMILTONIAN_FILE = "hamiltonian_matrix.npz" SEED = 42 +DELTA = 0.5 TOL = 1e-10 DBI_ENERGIES = "dbi_energies" DBI_FLUCTUATIONS = "dbi_fluctuations" @@ -296,12 +297,12 @@ def select_recursion_step_gd_circuit( if eo_d is None: eo_d = gci.eo_d - if eo_d.name == "B Field": + if isinstance(eo_d, MagneticFieldEvolutionOracle): n_local = 1 - params = eo_d.b_list - elif eo_d.name == "H_ClassicalIsing(B,J)": + params = eo_d.params + elif isinstance(eo_d, IsingNNEvolutionOracle): n_local = 2 - params = eo_d.b_list + eo_d.j_list + params = eo_d.params else: raise_error(ValueError, "Evolution oracle type not supported.") @@ -312,7 +313,6 @@ def select_recursion_step_gd_circuit( gci.mode_double_bracket_rotation = mode # returns min_s, min_loss, loss_list s, l, ls = gci.choose_step(d=eo_d, step_grid=step_grid, mode_dbr=mode) - for epoch in range(nmb_gd_epochs): ls = [] s_min, s_max = step_grid[0], step_grid[-1] @@ -352,7 +352,7 @@ def select_recursion_step_gd_circuit( if please_be_verbose: print( f"Just finished the selection: better loss {minimal_losses[minimizer_dbr_id]} for mode {mode_dbr_list[minimizer_dbr_id]},\ - with duration s={minimizer_s[minimizer_dbr_id]}, and eo_d name = {minimizer_eo_d[minimizer_dbr_id].name}" + with duration s={minimizer_s[minimizer_dbr_id]}, and eo_d name = {minimizer_eo_d[minimizer_dbr_id].__class__.__name__}" ) return ( mode_dbr_list[minimizer_dbr_id], @@ -532,13 +532,13 @@ def plot_lr_s_loss(eval_dict): def callback_D_optimization(params, gci, loss_history, params_history): params_history.append(params) - eo_d = MagneticFieldEvolutionOracle(params[1:]) + eo_d = MagneticFieldEvolutionOracle.from_b(params[1:]) loss_history.append(gci.loss(params[0], eo_d)) def loss_function_D(params, gci): """``params`` has shape [s0, b_list_0].""" - eo = MagneticFieldEvolutionOracle(params[1:]) + eo = MagneticFieldEvolutionOracle.from_b(params[1:]) return gci.loss(params[0], eo)