Report based on data from 2025-03-14T12:02:28.971006+00:00
https://github.com/isi-usc-edu/qb-gsee-benchmark
Input data: Hamiltonian_features.csv, last modified Tue Mar 4 15:44:53 2025
Input data: GSEE-HC_utility_estimates_all_instances_task_uuids_v2.csv, last modified Tue Mar 4 15:44:53 2025
Latest creation time for a problem_instance.json file: Tue Mar 4 15:44:53 2025
Latest creation time for a solution.json file: Fri Mar 14 08:00:13 2025
number of problem_instances: 68.
problem_instance.json with the most tasks: 30 (hubbard_square/614c4444-a31a-4348-b24d-01040208651c)
number of Hamiltonians (i.e., tasks) we have features calculated for: 228
minimum number of orbitals: 5
median number of orbitals: 36.0
maximum number of orbitals: 135
number of unique participating solvers: 21
Solver: SHCI_opt/2dde727e-a881-44fa-aabf-bba6248e4baf, ML Solvability Ratio: {'PCA': 1.0, 'NNMF': 1.0}, F1 Score: [0.83333333 0.99319728]
Solver: DF_QPE/f6b36bde-be4a-4eee-975b-2c5f7e553f5f, ML Solvability Ratio: {'PCA': 0.013, 'NNMF': 0.0006}, F1 Score: [0.99319728 0.83333333]
Solver: SHCI_pt_1e-4/4ed500f1-0650-41e3-af00-e4d0359394b4, ML Solvability Ratio: {'PCA': 1.0, 'NNMF': 1.0}, F1 Score: [0.71428571 0.97122302]
Solver: SHCI_var_1e-4/7e730dfb-57ee-480b-a8a1-4b73f5f07c54, ML Solvability Ratio: {'PCA': 0.6562, 'NNMF': 0.7836}, F1 Score: [0.98387097 0.98901099]
Solver: SHCI_pt_2e-4/ad964781-302e-4728-a26d-39918e0a6cdb, ML Solvability Ratio: {'PCA': 1.0, 'NNMF': 0.9868}, F1 Score: [0.89361702 0.98069498]
Solver: SHCI_pt_2e-5/c71b90bd-3250-4c0c-b4e7-fc9878f141f6, ML Solvability Ratio: {'PCA': 0.9317, 'NNMF': 0.5441}, F1 Score: [0.76470588 0.97058824]
Solver: SHCI_pt_5e-5/d626506c-7aae-4ad6-802a-b29af5f2bb93, ML Solvability Ratio: {'PCA': 1.0, 'NNMF': 1.0}, F1 Score: [0.9375 0.99270073]
Solver: SHCI_var_2e-4/0db183e3-a86d-491b-9125-599556e37c7a, ML Solvability Ratio: {'PCA': 0.8125, 'NNMF': 0.8487}, F1 Score: [0.99280576 0.99401198]
Solver: SHCI_var_2e-5/86bfe50c-9342-4d54-bb68-abc8abd95688, ML Solvability Ratio: {'PCA': 0.6486, 'NNMF': 0.4057}, F1 Score: [0.88 0.9765625]
Solver: SHCI_var_5e-5/01949b95-c427-4693-9134-01f47f688c09, ML Solvability Ratio: {'PCA': 0.8749, 'NNMF': 0.391}, F1 Score: [0.83950617 0.94222222]
Solver: DF_QPE/4b07b89f-c66f-4e72-8c24-df3e4222cb41, ML Solvability Ratio: {'PCA': 0.0, 'NNMF': 0.0}, F1 Score: [1. 1.]
Solver: DF_QPE/5dad4064-cd11-412f-85cb-d722afe3b3de, ML Solvability Ratio: {'PCA': 0.0394, 'NNMF': 0.0199}, F1 Score: [1. 1.]
Solver: CISD/418f060e-496b-4024-8d2d-9b1f8791e76d, ML Solvability Ratio: {'PCA': 0.0233, 'NNMF': 0.0051}, F1 Score: [0.98069498 0.89361702]
Solver: CCSD/0a29e54f-bef9-4d19-bafa-d94b1c4b37aa, ML Solvability Ratio: {'PCA': 0.011, 'NNMF': 0.0418}, F1 Score: [0.98795181 0.94736842]
Solver: HF/5f5e617a-19c2-4d82-bebc-b2d6b3dcb012, ML Solvability Ratio: {'PCA': 0.0, 'NNMF': 0.0}, F1 Score: [0. 0.0754717]
Solver: MP2/b420358b-5def-41e6-8c5d-b9d93b6aecd2, ML Solvability Ratio: {'PCA': 0.0, 'NNMF': 0.0}, F1 Score: [0. 0.0754717]
Solver: CCSD(T)/c09217e6-d0f7-4b0f-81c4-79210b7ac878, ML Solvability Ratio: {'PCA': 0.2847, 'NNMF': 0.092}, F1 Score: [0.96855346 0.96598639]
Solver: DF_QPE/7c8ef984-4d3a-4468-8900-e0da3bd8b22d, ML Solvability Ratio: {'PCA': 0.0, 'NNMF': 0.0}, F1 Score: [0.93706294 0.1 ]
Solver: DF_QPE/5d768520-b3d0-4292-bbb4-9776fa128107, ML Solvability Ratio: {'PCA': 0.0394, 'NNMF': 0.0199}, F1 Score: [1. 1.]
Solver: DMRG_Niagara_cluster_lowest_energy/16537433-9f4c-4eae-a65d-787dc3b35b59, ML Solvability Ratio: {'PCA': 0.4126, 'NNMF': 0.3022}, F1 Score: [0.91304348 0.96261682]
Solver: DF_QPE/2610d8de-bd3a-469e-9a80-473e8988755f, ML Solvability Ratio: {'PCA': 0.0716, 'NNMF': 0.0}, F1 Score: [1. 1.]
NOTE: only attempted tasks are plotted on the chart. Triangle up/down indicates solved/unsolved.
NOTE: only attempted tasks are plotted on the chart. Triangle up/down indicates solved/unsolved.
NOTE: only attempted tasks are plotted on the chart. Triangle up/down indicates solved/unsolved.
NOTE: only attempted tasks are plotted on the chart. Triangle up/down indicates solved/unsolved.
NOTE: only attempted tasks are plotted on the chart. Triangle up/down indicates solved/unsolved.
solver_uuid:2dde727e-a881-44fa-aabf-bba6248e4baf
solver_short_name:SHCI_opt
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with optimized orbitals followed by SHCI+PT
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 7743f706-cd77-42f7-88fa-c0b0717c0151
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 66
number_of_problem_instances_solved: 37
number_of_tasks: 228
number_of_tasks_attempted: 226
number_of_tasks_solved: 148
number_of_tasks_solved_within_run_time_limit: 226
number_of_tasks_solved_within_accuracy_threshold: 148
max_run_time_of_attempted_tasks: 57334.2
sum_of_run_time_of_attempted_tasks: 1100317.5919999995
solvability_ratio: 1.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.8333333333333334, 0.9931972789115646]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:f6b36bde-be4a-4eee-975b-2c5f7e553f5f
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap_csv': 'overlaps.csv', 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'pyLIQTR', 'software_version': '1.3.6'}, {'software_name': 'qb-gsee-benchmark', 'software_version': '0.1.0a3.dev68+g2b90efd'}, {'software_name': 'Python', 'software_version': '3.10.12 (main, Feb 4 2025, 14:57:36) [GCC 11.4.0]'}, {'software_name': 'qualtran', 'software_version': '0.4.0'}]
quantum_hardware_details:{'quantum_hardware_description': 'Ultra-optimistic hardware model based on the superconducting architecture described in https://arxiv.org/abs/2011.03494.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 1e-06, 'cycle_time_microseconds': 0.1, 'parallelize_shots': False}}
logical_resource_estimate_solution_uuid:7d2dadd5-bec8-46e0-b3d2-82d5f8111940
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: cc5ea241-3722-4742-8172-d88a1500fed1
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 24
number_of_problem_instances_solved: 4
number_of_tasks: 228
number_of_tasks_attempted: 137
number_of_tasks_solved: 5
number_of_tasks_solved_within_run_time_limit: 5
number_of_tasks_solved_within_accuracy_threshold: 137
max_run_time_of_attempted_tasks: 7188148035230.209
sum_of_run_time_of_attempted_tasks: 9230378074762.195
solvability_ratio: 0.013
comments: solvability ratio based on PCA embedding.
f1_score: [0.9931972789115646, 0.8333333333333334]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:4ed500f1-0650-41e3-af00-e4d0359394b4
solver_short_name:SHCI_pt_1e-4
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 1e-4 + PT
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: db173e2f-7d0d-4b8c-ba96-62344f04c449
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 26
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 135
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 135
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 1.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.7142857142857143, 0.9712230215827338]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:7e730dfb-57ee-480b-a8a1-4b73f5f07c54
solver_short_name:SHCI_var_1e-4
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 1e-4
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 68de82dd-fd03-4aa4-8635-09a990c8b4aa
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 17
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 91
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 91
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 0.6562
comments: solvability ratio based on PCA embedding.
f1_score: [0.9838709677419355, 0.989010989010989]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:ad964781-302e-4728-a26d-39918e0a6cdb
solver_short_name:SHCI_pt_2e-4
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 2e-4 + PT
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: ebbc7a8a-27a0-4dd2-a160-7726b9d85c71
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 26
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 132
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 132
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 1.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.8936170212765957, 0.9806949806949807]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:c71b90bd-3250-4c0c-b4e7-fc9878f141f6
solver_short_name:SHCI_pt_2e-5
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 2e-5 + PT
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 3eabd7f3-4755-41b3-a239-a68852b30ae0
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 30
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 140
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 140
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 0.9317
comments: solvability ratio based on PCA embedding.
f1_score: [0.7647058823529411, 0.9705882352941176]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:d626506c-7aae-4ad6-802a-b29af5f2bb93
solver_short_name:SHCI_pt_5e-5
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 5e-5 + PT
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 3fd47743-77bf-4e09-888b-aa98a46cacb7
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 28
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 138
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 138
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 1.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.9375, 0.9927007299270073]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:0db183e3-a86d-491b-9125-599556e37c7a
solver_short_name:SHCI_var_2e-4
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 2e-4
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: fa996883-ba64-4415-90f0-7507d5b0fc15
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 17
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 83
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 83
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 0.8125
comments: solvability ratio based on PCA embedding.
f1_score: [0.9928057553956835, 0.9940119760479041]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:86bfe50c-9342-4d54-bb68-abc8abd95688
solver_short_name:SHCI_var_2e-5
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 2e-5
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 60467ee4-c5fc-4f1b-9f9d-fa165a79bbc1
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 22
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 128
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 128
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 0.6486
comments: solvability ratio based on PCA embedding.
f1_score: [0.88, 0.9765625]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:01949b95-c427-4693-9134-01f47f688c09
solver_short_name:SHCI_var_5e-5
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:SHCI with eps_var 5e-5
software_details:SHCI Arrow Code (https://github.com/QMC-Cornell/shci).
performance_metrics_uuid: 89295e5a-a925-4d00-bf89-cf694f0ea240
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 18
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 115
number_of_tasks_solved_within_run_time_limit: 227
number_of_tasks_solved_within_accuracy_threshold: 115
max_run_time_of_attempted_tasks: 77244.15200000002
sum_of_run_time_of_attempted_tasks: 1220721.7950000002
solvability_ratio: 0.8749
comments: solvability ratio based on PCA embedding.
f1_score: [0.8395061728395061, 0.9422222222222222]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:4b07b89f-c66f-4e72-8c24-df3e4222cb41
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap_csv': 'overlaps.csv', 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'pyLIQTR', 'software_version': '1.3.6'}, {'software_name': 'qb-gsee-benchmark', 'software_version': '0.1.0a3.dev68+g2b90efd'}, {'software_name': 'Python', 'software_version': '3.10.12 (main, Feb 4 2025, 14:57:36) [GCC 11.4.0]'}, {'software_name': 'qualtran', 'software_version': '0.4.0'}]
quantum_hardware_details:{'quantum_hardware_description': 'Optimistic superconducting hardware model based on that described in https://arxiv.org/abs/2011.03494. Assumes that enough QPUs are available to run all shots in parallel.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 0.0001, 'cycle_time_microseconds': 1, 'parallelize_shots': True}}
logical_resource_estimate_solution_uuid:5ed24527-1892-46f9-8a7a-a9fe92993b48
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: b36af712-25ce-4874-a7da-9be4c98b999c
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 22
number_of_problem_instances_solved: 3
number_of_tasks: 228
number_of_tasks_attempted: 131
number_of_tasks_solved: 3
number_of_tasks_solved_within_run_time_limit: 3
number_of_tasks_solved_within_accuracy_threshold: 131
max_run_time_of_attempted_tasks: 26774753292.953506
sum_of_run_time_of_attempted_tasks: 381759348210.49603
solvability_ratio: 0.0
comments: solvability ratio based on PCA embedding.
f1_score: [1.0, 1.0]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:5dad4064-cd11-412f-85cb-d722afe3b3de
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap_csv': 'overlaps.csv', 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'pyLIQTR', 'software_version': '1.3.6'}, {'software_name': 'qb-gsee-benchmark', 'software_version': '0.1.0a3.dev68+g2b90efd'}, {'software_name': 'Python', 'software_version': '3.10.12 (main, Feb 4 2025, 14:57:36) [GCC 11.4.0]'}, {'software_name': 'qualtran', 'software_version': '0.4.0'}]
quantum_hardware_details:{'quantum_hardware_description': 'Optimistic superconducting hardware model based on that described in https://arxiv.org/abs/2011.03494.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 0.0001, 'cycle_time_microseconds': 1, 'parallelize_shots': False}}
logical_resource_estimate_solution_uuid:b38ef522-b636-4e49-9e75-b3dc9955f58b
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: 9c823edd-a5a6-4d58-9442-757f45224dba
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 22
number_of_problem_instances_solved: 2
number_of_tasks: 228
number_of_tasks_attempted: 131
number_of_tasks_solved: 2
number_of_tasks_solved_within_run_time_limit: 2
number_of_tasks_solved_within_accuracy_threshold: 131
max_run_time_of_attempted_tasks: 1394057080220.9934
sum_of_run_time_of_attempted_tasks: 10701894024019.273
solvability_ratio: 0.0394
comments: solvability ratio based on PCA embedding.
f1_score: [1.0, 1.0]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:418f060e-496b-4024-8d2d-9b1f8791e76d
solver_short_name:CISD
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:CISD
software_details:pyscf (https://github.com/pyscf/pyscf).
performance_metrics_uuid: c600b91f-b452-44ad-82ba-9d9ea1cad9b0
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 13
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 21
number_of_tasks_solved_within_run_time_limit: 228
number_of_tasks_solved_within_accuracy_threshold: 21
max_run_time_of_attempted_tasks: 62.58296537399292
sum_of_run_time_of_attempted_tasks: 2147.015964984894
solvability_ratio: 0.0233
comments: solvability ratio based on PCA embedding.
f1_score: [0.9806949806949807, 0.8936170212765957]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:0a29e54f-bef9-4d19-bafa-d94b1c4b37aa
solver_short_name:CCSD
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:CCSD
software_details:pyscf (https://github.com/pyscf/pyscf).
performance_metrics_uuid: 813f1f13-a63b-457a-a6a8-97e7e96114f9
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 64
number_of_problem_instances_solved: 14
number_of_tasks: 228
number_of_tasks_attempted: 217
number_of_tasks_solved: 27
number_of_tasks_solved_within_run_time_limit: 217
number_of_tasks_solved_within_accuracy_threshold: 27
max_run_time_of_attempted_tasks: 460.71552085876465
sum_of_run_time_of_attempted_tasks: 7096.755430221558
solvability_ratio: 0.011
comments: solvability ratio based on PCA embedding.
f1_score: [0.9879518072289156, 0.9473684210526315]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:5f5e617a-19c2-4d82-bebc-b2d6b3dcb012
solver_short_name:HF
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:Hartree Fock
software_details:pyscf (https://github.com/pyscf/pyscf).
performance_metrics_uuid: 80d2f5d5-fdd2-4b5f-ab16-889f3e78e721
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 6
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 6
number_of_tasks_solved_within_run_time_limit: 228
number_of_tasks_solved_within_accuracy_threshold: 6
max_run_time_of_attempted_tasks: 20.338801622390747
sum_of_run_time_of_attempted_tasks: 800.5601267814636
solvability_ratio: 0.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.0, 0.07547169811320754]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:b420358b-5def-41e6-8c5d-b9d93b6aecd2
solver_short_name:MP2
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:MP2
software_details:pyscf (https://github.com/pyscf/pyscf).
performance_metrics_uuid: ecc26c93-2d41-4493-94f6-c89c10daa291
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 65
number_of_problem_instances_solved: 6
number_of_tasks: 228
number_of_tasks_attempted: 220
number_of_tasks_solved: 6
number_of_tasks_solved_within_run_time_limit: 220
number_of_tasks_solved_within_accuracy_threshold: 6
max_run_time_of_attempted_tasks: 2.230440139770508
sum_of_run_time_of_attempted_tasks: 78.57580351829529
solvability_ratio: 0.0
comments: solvability ratio based on PCA embedding.
f1_score: [0.0, 0.07547169811320754]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:c09217e6-d0f7-4b0f-81c4-79210b7ac878
solver_short_name:CCSD(T)
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'LCRC Improv (per node)', 'cpu_description': '2x AMD EPYC 7713 64C', 'ram_available_gb': '256GB', 'clock_speed': '2 GHz', 'total_num_cores': 128}
algorithm_details:CCSD(T)
software_details:pyscf (https://github.com/pyscf/pyscf).
performance_metrics_uuid: 9438d859-a2f8-497c-875a-45e2cee03f83
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 64
number_of_problem_instances_solved: 23
number_of_tasks: 228
number_of_tasks_attempted: 217
number_of_tasks_solved: 71
number_of_tasks_solved_within_run_time_limit: 217
number_of_tasks_solved_within_accuracy_threshold: 71
max_run_time_of_attempted_tasks: 469.1432478427887
sum_of_run_time_of_attempted_tasks: 7918.634609699249
solvability_ratio: 0.2847
comments: solvability ratio based on PCA embedding.
f1_score: [0.9685534591194969, 0.9659863945578231]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:7c8ef984-4d3a-4468-8900-e0da3bd8b22d
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap': 0.94868329805, 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'benchq', 'software_version': '0.7.1.dev10+g80b8279.d20250116'}, {'software_name': 'openfermion', 'software_version': '1.6.1'}, {'software_name': 'Python', 'software_version': '3.11.5 (main, Sep 11 2023, 08:31:25) [Clang 14.0.6 ]'}, {'software_name': 'benchq', 'software_version': '0.7.1.dev10+g80b8279.d20250116'}]
quantum_hardware_details:{'quantum_hardware_description': 'Superconducting hardware model based on the optimistic model described in https://arxiv.org/abs/2011.03494.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 0.0001, 'cycle_time_microseconds': 1}}
logical_resource_estimate_solution_uuid:e135679c-e314-4808-9634-252bc376d295
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: 487b4325-bf34-4159-9caa-4489155664e1
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 4
number_of_problem_instances_solved: 1
number_of_tasks: 228
number_of_tasks_attempted: 24
number_of_tasks_solved: 1
number_of_tasks_solved_within_run_time_limit: 1
number_of_tasks_solved_within_accuracy_threshold: 24
max_run_time_of_attempted_tasks: 451622221.769206
sum_of_run_time_of_attempted_tasks: 4206142119.5542016
solvability_ratio: 0.0
comments: solvability ratio based on PCA embedding., ML model calculated without GridSearchCV
f1_score: [0.9370629370629371, 0.1]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:5d768520-b3d0-4292-bbb4-9776fa128107
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap_csv': 'overlaps.csv', 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'pyLIQTR', 'software_version': '1.3.6'}, {'software_name': 'qb-gsee-benchmark', 'software_version': '0.1.0a3.dev68+g2b90efd'}, {'software_name': 'Python', 'software_version': '3.10.12 (main, Feb 4 2025, 14:57:36) [GCC 11.4.0]'}, {'software_name': 'qualtran', 'software_version': '0.4.0'}]
quantum_hardware_details:{'quantum_hardware_description': 'Superconducting hardware model based on that described in https://arxiv.org/abs/2011.03494 with an extremely optimistic physical error rate.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 1e-06, 'cycle_time_microseconds': 1, 'parallelize_shots': False}}
logical_resource_estimate_solution_uuid:608bffed-be36-4414-ab5c-fd3ee6838530
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: bb8afd44-6ed2-496e-a6d3-c8eb210fc8dc
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 24
number_of_problem_instances_solved: 2
number_of_tasks: 228
number_of_tasks_attempted: 137
number_of_tasks_solved: 2
number_of_tasks_solved_within_run_time_limit: 2
number_of_tasks_solved_within_accuracy_threshold: 137
max_run_time_of_attempted_tasks: 71881480309947.6
sum_of_run_time_of_attempted_tasks: 92303779447162.08
solvability_ratio: 0.0394
comments: solvability ratio based on PCA embedding.
f1_score: [1.0, 1.0]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:16537433-9f4c-4eae-a65d-787dc3b35b59
solver_short_name:DMRG_Niagara_cluster_lowest_energy
compute_hardware_type:classical_computer
classical_hardware_details:{'computing_environment_name': 'Niagara Cluster, Compute Canada', 'cpu_description': '40 Intel "Skylake" cores at 2.4 GHz or 40 Intel "CascadeLake" cores at 2.5 GHz', 'ram_available_gb': '202 GB (188 GiB)', 'clock_speed': '2.4 GHz or 2.5 GHz', 'total_num_cores': 40}
algorithm_details:DMRG with the lowest variational energy obtained so far.
software_details:Block2 v0.5.3rc16 with dmrghandler, commit version d603fdc6409fc194a416aa3a519362d5d91790d9 or later.
performance_metrics_uuid: 6032e9f4-b772-4af8-96e5-a51787f99099
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 68
number_of_problem_instances_solved: 13
number_of_tasks: 228
number_of_tasks_attempted: 228
number_of_tasks_solved: 107
number_of_tasks_solved_within_run_time_limit: 228
number_of_tasks_solved_within_accuracy_threshold: 107
max_run_time_of_attempted_tasks: 80820.729907066
sum_of_run_time_of_attempted_tasks: 1841774.710900084
solvability_ratio: 0.4126
comments: solvability ratio based on PCA embedding.
f1_score: [0.9130434782608695, 0.9626168224299065]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
solver_uuid:2610d8de-bd3a-469e-9a80-473e8988755f
solver_short_name:DF_QPE
compute_hardware_type:quantum_computer
algorithm_details:{'algorithm_description': 'Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Note that the truncation error is not included in the error bounds and that the SCF compute time is not included in the preprocessing time. Ground-state overlap is taken to be that estimated for the dominant CSF as estimated by DMRG and that this DMRG runtime is not included in the classical compute costs.', 'algorithm_parameters': {'overlap_csv': 'overlaps.csv', 'sf_threshold': 1e-12, 'df_threshold': 0.001, 'max_orbitals': 70}}
software_details:[{'software_name': 'pyLIQTR', 'software_version': '1.3.6'}, {'software_name': 'qb-gsee-benchmark', 'software_version': '0.1.0a3.dev68+g2b90efd'}, {'software_name': 'Python', 'software_version': '3.10.12 (main, Feb 4 2025, 14:57:36) [GCC 11.4.0]'}, {'software_name': 'qualtran', 'software_version': '0.4.0'}]
quantum_hardware_details:{'quantum_hardware_description': 'Ultra-optimistic hardware model based on the superconducting architecture described in https://arxiv.org/abs/2011.03494.', 'quantum_hardware_parameters': {'num_factories': 4, 'physical_error_rate': 0.0001, 'cycle_time_microseconds': 0.1, 'parallelize_shots': False}}
logical_resource_estimate_solution_uuid:ce296b29-5026-4b14-ba76-c131ef6d354e
logical_resource_estimate_solver_uuid:f2d73e1f-3058-43c4-a634-b6c267c84ff1
performance_metrics_uuid: defbfe66-4fb0-44f8-b134-3de902450373
creation_timestamp: 2025-03-14T12:02:28.971006+00:00
number_of_problem_instances: 68
number_of_problem_instances_attempted: 22
number_of_problem_instances_solved: 3
number_of_tasks: 228
number_of_tasks_attempted: 131
number_of_tasks_solved: 4
number_of_tasks_solved_within_run_time_limit: 4
number_of_tasks_solved_within_accuracy_threshold: 131
max_run_time_of_attempted_tasks: 139405710024.59732
sum_of_run_time_of_attempted_tasks: 1070189510131.8345
solvability_ratio: 0.0716
comments: solvability ratio based on PCA embedding.
f1_score: [1.0, 1.0]
ml_metrics_calculator_version: 1
Note: plot only contains attempted tasks.
Note: plot only contains attempted tasks.
Note: attempted may be True or False. Tasks with a reference_energy can be labeled as solved or failed-to-solve. A task with a reference_energy that was NOT attempted is labeled as a failed-to-solve. White stars indicate Hamiltonians for which we do not have a reference_energy.
Features: ['max_vertex_degree', 'min_vertex_degree', 'mean_vertex_degree', 'std_dev_vertex_degree', 'max_weight', 'min_weight', 'mean_weight', 'std_dev_weight', 'max_edge_order', 'mean_edge_order', 'std_dev_edge_order', 'one_norm', 'log_fci_dim', 'n_elec', 'n_orbs', 'df_gap']
NNMF Component 1: [0.44176701 0.45449395 0.45163263 0.4206377 0.51199883 0. 0. 0.04944855 0.87023998 0.88722992 0.85986962 0.45957332 0.87154483 0.56686512 0.8574673 0.51617008]
NNMF Component 2: [0. 0. 0. 0. 0.05545233 1.03487444 0.54168445 0.41821312 0.07259491 0.01856936 0.0876162 0. 0.1752886 0.11462803 0.07264437 0. ]
Features: ['max_vertex_degree', 'min_vertex_degree', 'mean_vertex_degree', 'std_dev_vertex_degree', 'max_weight', 'min_weight', 'mean_weight', 'std_dev_weight', 'max_edge_order', 'mean_edge_order', 'std_dev_edge_order', 'one_norm', 'log_fci_dim', 'n_elec', 'n_orbs', 'df_gap']
PCA Component 1: [-0.22922229 -0.21461603 -0.23398401 -0.21923522 -0.16402432 0.39183587 0.20302013 0.14659357 -0.3134204 -0.33485059 -0.30553226 -0.22630863 -0.2258685 -0.10070305 -0.31226268 -0.20457232]
PCA Component 2: [ 0.22146419 0.13713247 0.22479465 0.21502049 0.02836024 0.66237732 0.34970611 0.22348305 0.1309698 0.08010198 0.14460543 0.21623573 -0.07605394 -0.30861836 0.14283042 0.10453104]
