Adding preliminary QRE for mn_mono

examples/get_problem_lqre.py

@@ -0,0 +1,73 @@
+################################################################################
+# © Copyright 2024 Zapata Computing Inc.
+################################################################################
+"""This script will generate logical resource estimates using PyLIQTR for the mn_mono
+benchmark instance. It will save the results to a JSON file.
+
+The algorithm performance model is similar to that described in arXiv:2406.06335v1, but
+with a few simplifying assumptions. First, the ground-state overlap is assumed to be
+0.8. Second, the double-factorized truncation threshold is assumed to be 1e-3 Ha.
+
+In order to run this script to work, you must have credentials with read access the
+L3Harris SFTP server. QB performers can obtain the PPK file with credentials from the
+basecamp thread linked below. The `ppk_path` variable should be set to the path of the
+PPK file.
+
+https://3.basecamp.com/3613864/buckets/26823103/messages/7222735635
+"""
+
+import json
+import time
+from typing import Any
+
+import requests
+from pyLIQTR.utils.resource_analysis import estimate_resources
+
+from qb_gsee_benchmark.qre import get_df_qpe_circuit
+from qb_gsee_benchmark.utils import retrieve_fcidump_from_sftp
+
+ppk_path = "/Users/maxradin/.ssh/darpa-qb-key.ppk"
+username = "darpa-qb"
+
+
+url = "https://raw.githubusercontent.com/jp7745/qb-gsee-problem-instances/main/problem_instances/problem_instance.mn_mono.cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8.json"
+response = requests.get(url)
+if response.status_code != 200:
+    raise RuntimeError(f"Failed to retrieve {url}. Status code: {response.status_code}")
+
+problem_instance = response.json()
+
+solution_data: list[dict[str, Any]] = []
+
+results = {}
+for instance in problem_instance["instance_data"]:
+    print(
+        f"Getting logical resource estimates for {instance['instance_data_object_uuid']}..."
+    )
+    fci = retrieve_fcidump_from_sftp(
+        instance["instance_data_object_url"], username=username, ppk_path=ppk_path
+    )
+
+    start = time.time()
+    circuit, num_shots, hardware_failure_tolerance_per_shot = get_df_qpe_circuit(
+        fci=fci,
+        error_tolerance=1.6e-3,
+        failure_tolerance=1e-2,
+        square_overlap=0.8**2,
+        df_threshold=1e-3,
+    )
+    preprocessing_time = time.time() - start
+    print(f"Initialized circuit in {preprocessing_time} seconds.")
+    print(f"Estimating logical resources...")
+    logical_resources = estimate_resources(circuit.circuit)
+
+    results[instance["instance_data_object_uuid"]] = {
+        "num_logical_qubits": logical_resources["LogicalQubits"],
+        "num_t": logical_resources["T"],
+        "preprocessing_time": preprocessing_time,
+        "num_shots": num_shots,
+        "hardware_failure_tolerance_per_shot": hardware_failure_tolerance_per_shot,
+    }
+
+with open(f"lqre-{problem_instance['problem_instance_uuid']}.json", "w") as f:
+    json.dump(results, f)

pyproject.toml

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+[build-system]
+requires = ["setuptools", "wheel",  "setuptools_scm>=6.0"]
+
+# Including this section is same as 'use_scm_version=True' in setup.py
+# See https://github.com/pypa/setuptools_scm for guidance
+[tool.setuptools_scm]
+
+[tool.isort]
+profile = "black"
+
+[tool.mypy]
+# Without this we would have to add an empty __init__.py file for every package.
+namespace_packages = true
+# Without this mypy complains about the same module being imported under different
+# names. Note that this also requires setting `mypy_path`.
+explicit_package_bases = true
+# We usually keep our source code under `src/<namespace>/<library>/...`.
+# This option tells mypy to look under that directory path. 
+# If your repo has a different layout you can add the appropriate paths
+# by setting MYPYPATH env variable.
+mypy_path = "src"
+
+[[tool.mypy.overrides]]
+module = [
+    'scipy.*',
+    'sympy.*',
+    'rapidjson',
+]
+ignore_missing_imports = true
+
+[tool.coverage.run]
+omit = ["*/__init__.py"]
+
+[tool.coverage.report]
+exclude_lines = [
+  "pragma: no cover",
+  "def __repr__",
+  "def __str__",
+  "raise AssertionError",
+  "raise NotImplementedError",
+  "if __name__ == .__main__.:",
+]
+
+[tool.pytest.ini_options]
+log_level="INFO"
+
+[tool.flake8]
+ignore = ['E203', 'E266', 'F401', 'W605']
+max-line-length = 88

setup.cfg

@@ -0,0 +1,40 @@
+[metadata]
+name = qb-gsee-benchmark
+description = "DARPA QB GSEE Benchmark"
+long_description = file: README.md
+long_description_content_type = text/markdown; charset=UTF-8
+url = https://github.com/zapatacomputing/qb-gsee-benchmark
+author = Zapata Computing Inc.
+author_email = [email protected],
+license = <INSERT LICENSE APPROPRIATE LICENSE HERE>
+license_file = LICENSE
+classifiers =
+    Programming Language :: Python :: 3
+    Operating System :: OS Independent
+    License :: OSI Approved :: Apache Software License
+    Topic :: Scientific/Engineering
+
+
+[options]
+zip_safe = False
+include_package_data = True
+package_dir =
+    = src
+packages = find_namespace:
+python_requires = >=3.8
+
+install_requires =
+    pyLIQTR>=1.2.0
+    pyscf
+    openfermion
+    openfermionpyscf
+    numpy
+    paramiko
+
+
+[options.packages.find]
+where = src
+
+[options.extras_require]
+dev =
+    orquestra-python-dev

solution_files/coarse_set/cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8_sol_30d863a7-ffde-40f9-8107-af771ec986b5.json

@@ -0,0 +1,174 @@
+{
+    "$schema": "https://raw.githubusercontent.com/zapatacomputing/qb-gsee-benchmark/refs/heads/main/instances/schemas/solution.schema.0.0.1.json",
+    "solution_uuid": "30d863a7-ffde-40f9-8107-af771ec986b5",
+    "problem_instance_uuid": "cb40f3f7-ffe8-40e8-4544-f26aad5a8bd8",
+    "creation_timestamp": "2024-10-02T19:23:17.097271Z",
+    "short_name": "QPE",
+    "is_resource_estimate": true,
+    "contact_info": [
+        {
+            "name": "Max Radin",
+            "email": "[email protected]",
+            "institution": "Zapata AI"
+        }
+    ],
+    "solution_data": [
+        {
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+                },
+                "postprocessing_time": {
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+                }
+            },
+            "error_bound": 0.001,
+            "confidence_level": 0.99
+        },
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+    ],
+    "compute_hardware_type": "quantum_computer",
+    "compute_details": {
+        "description": "Double factorized QPE resource estimates based on methodology of arXiv:2406.06335. Uses PyLIQTR logical resource estimates with BenchQ footprint analysis. Ground-state overlap assumed to be 0.8 and double-factorized truncation threshold to be 1e-3 Ha. 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."
+    },
+    "digital_signature": null
+}