@synsci/cli-darwin-x64-baseline 1.1.76 → 1.1.78

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (830) hide show
  1. package/bin/skills/adaptyv/SKILL.md +114 -0
  2. package/bin/skills/adaptyv/reference/api_reference.md +308 -0
  3. package/bin/skills/adaptyv/reference/examples.md +913 -0
  4. package/bin/skills/adaptyv/reference/experiments.md +360 -0
  5. package/bin/skills/adaptyv/reference/protein_optimization.md +637 -0
  6. package/bin/skills/aeon/SKILL.md +374 -0
  7. package/bin/skills/aeon/references/anomaly_detection.md +154 -0
  8. package/bin/skills/aeon/references/classification.md +144 -0
  9. package/bin/skills/aeon/references/clustering.md +123 -0
  10. package/bin/skills/aeon/references/datasets_benchmarking.md +387 -0
  11. package/bin/skills/aeon/references/distances.md +256 -0
  12. package/bin/skills/aeon/references/forecasting.md +140 -0
  13. package/bin/skills/aeon/references/networks.md +289 -0
  14. package/bin/skills/aeon/references/regression.md +118 -0
  15. package/bin/skills/aeon/references/segmentation.md +163 -0
  16. package/bin/skills/aeon/references/similarity_search.md +187 -0
  17. package/bin/skills/aeon/references/transformations.md +246 -0
  18. package/bin/skills/alphafold-database/SKILL.md +513 -0
  19. package/bin/skills/alphafold-database/references/api_reference.md +423 -0
  20. package/bin/skills/anndata/SKILL.md +400 -0
  21. package/bin/skills/anndata/references/best_practices.md +525 -0
  22. package/bin/skills/anndata/references/concatenation.md +396 -0
  23. package/bin/skills/anndata/references/data_structure.md +314 -0
  24. package/bin/skills/anndata/references/io_operations.md +404 -0
  25. package/bin/skills/anndata/references/manipulation.md +516 -0
  26. package/bin/skills/arboreto/SKILL.md +243 -0
  27. package/bin/skills/arboreto/references/algorithms.md +138 -0
  28. package/bin/skills/arboreto/references/basic_inference.md +151 -0
  29. package/bin/skills/arboreto/references/distributed_computing.md +242 -0
  30. package/bin/skills/arboreto/scripts/basic_grn_inference.py +97 -0
  31. package/bin/skills/astropy/SKILL.md +331 -0
  32. package/bin/skills/astropy/references/coordinates.md +273 -0
  33. package/bin/skills/astropy/references/cosmology.md +307 -0
  34. package/bin/skills/astropy/references/fits.md +396 -0
  35. package/bin/skills/astropy/references/tables.md +489 -0
  36. package/bin/skills/astropy/references/time.md +404 -0
  37. package/bin/skills/astropy/references/units.md +178 -0
  38. package/bin/skills/astropy/references/wcs_and_other_modules.md +373 -0
  39. package/bin/skills/benchling-integration/SKILL.md +480 -0
  40. package/bin/skills/benchling-integration/references/api_endpoints.md +883 -0
  41. package/bin/skills/benchling-integration/references/authentication.md +379 -0
  42. package/bin/skills/benchling-integration/references/sdk_reference.md +774 -0
  43. package/bin/skills/biopython/SKILL.md +443 -0
  44. package/bin/skills/biopython/references/advanced.md +577 -0
  45. package/bin/skills/biopython/references/alignment.md +362 -0
  46. package/bin/skills/biopython/references/blast.md +455 -0
  47. package/bin/skills/biopython/references/databases.md +484 -0
  48. package/bin/skills/biopython/references/phylogenetics.md +566 -0
  49. package/bin/skills/biopython/references/sequence_io.md +285 -0
  50. package/bin/skills/biopython/references/structure.md +564 -0
  51. package/bin/skills/biorxiv-database/SKILL.md +483 -0
  52. package/bin/skills/biorxiv-database/references/api_reference.md +280 -0
  53. package/bin/skills/biorxiv-database/scripts/biorxiv_search.py +445 -0
  54. package/bin/skills/bioservices/SKILL.md +361 -0
  55. package/bin/skills/bioservices/references/identifier_mapping.md +685 -0
  56. package/bin/skills/bioservices/references/services_reference.md +636 -0
  57. package/bin/skills/bioservices/references/workflow_patterns.md +811 -0
  58. package/bin/skills/bioservices/scripts/batch_id_converter.py +347 -0
  59. package/bin/skills/bioservices/scripts/compound_cross_reference.py +378 -0
  60. package/bin/skills/bioservices/scripts/pathway_analysis.py +309 -0
  61. package/bin/skills/bioservices/scripts/protein_analysis_workflow.py +408 -0
  62. package/bin/skills/brenda-database/SKILL.md +719 -0
  63. package/bin/skills/brenda-database/references/api_reference.md +537 -0
  64. package/bin/skills/brenda-database/scripts/brenda_queries.py +844 -0
  65. package/bin/skills/brenda-database/scripts/brenda_visualization.py +772 -0
  66. package/bin/skills/brenda-database/scripts/enzyme_pathway_builder.py +1053 -0
  67. package/bin/skills/cellxgene-census/SKILL.md +511 -0
  68. package/bin/skills/cellxgene-census/references/census_schema.md +182 -0
  69. package/bin/skills/cellxgene-census/references/common_patterns.md +351 -0
  70. package/bin/skills/chembl-database/SKILL.md +389 -0
  71. package/bin/skills/chembl-database/references/api_reference.md +272 -0
  72. package/bin/skills/chembl-database/scripts/example_queries.py +278 -0
  73. package/bin/skills/cirq/SKILL.md +346 -0
  74. package/bin/skills/cirq/references/building.md +307 -0
  75. package/bin/skills/cirq/references/experiments.md +572 -0
  76. package/bin/skills/cirq/references/hardware.md +515 -0
  77. package/bin/skills/cirq/references/noise.md +515 -0
  78. package/bin/skills/cirq/references/simulation.md +350 -0
  79. package/bin/skills/cirq/references/transformation.md +416 -0
  80. package/bin/skills/clinicaltrials-database/SKILL.md +507 -0
  81. package/bin/skills/clinicaltrials-database/references/api_reference.md +358 -0
  82. package/bin/skills/clinicaltrials-database/scripts/query_clinicaltrials.py +215 -0
  83. package/bin/skills/clinpgx-database/SKILL.md +638 -0
  84. package/bin/skills/clinpgx-database/references/api_reference.md +757 -0
  85. package/bin/skills/clinpgx-database/scripts/query_clinpgx.py +518 -0
  86. package/bin/skills/clinvar-database/SKILL.md +362 -0
  87. package/bin/skills/clinvar-database/references/api_reference.md +227 -0
  88. package/bin/skills/clinvar-database/references/clinical_significance.md +218 -0
  89. package/bin/skills/clinvar-database/references/data_formats.md +358 -0
  90. package/bin/skills/cobrapy/SKILL.md +463 -0
  91. package/bin/skills/cobrapy/references/api_quick_reference.md +655 -0
  92. package/bin/skills/cobrapy/references/workflows.md +593 -0
  93. package/bin/skills/cosmic-database/SKILL.md +336 -0
  94. package/bin/skills/cosmic-database/references/cosmic_data_reference.md +220 -0
  95. package/bin/skills/cosmic-database/scripts/download_cosmic.py +231 -0
  96. package/bin/skills/dask/SKILL.md +456 -0
  97. package/bin/skills/dask/references/arrays.md +497 -0
  98. package/bin/skills/dask/references/bags.md +468 -0
  99. package/bin/skills/dask/references/best-practices.md +277 -0
  100. package/bin/skills/dask/references/dataframes.md +368 -0
  101. package/bin/skills/dask/references/futures.md +541 -0
  102. package/bin/skills/dask/references/schedulers.md +504 -0
  103. package/bin/skills/datacommons-client/SKILL.md +255 -0
  104. package/bin/skills/datacommons-client/references/getting_started.md +417 -0
  105. package/bin/skills/datacommons-client/references/node.md +250 -0
  106. package/bin/skills/datacommons-client/references/observation.md +185 -0
  107. package/bin/skills/datacommons-client/references/resolve.md +246 -0
  108. package/bin/skills/datamol/SKILL.md +706 -0
  109. package/bin/skills/datamol/references/conformers_module.md +131 -0
  110. package/bin/skills/datamol/references/core_api.md +130 -0
  111. package/bin/skills/datamol/references/descriptors_viz.md +195 -0
  112. package/bin/skills/datamol/references/fragments_scaffolds.md +174 -0
  113. package/bin/skills/datamol/references/io_module.md +109 -0
  114. package/bin/skills/datamol/references/reactions_data.md +218 -0
  115. package/bin/skills/deepchem/SKILL.md +597 -0
  116. package/bin/skills/deepchem/references/api_reference.md +303 -0
  117. package/bin/skills/deepchem/references/workflows.md +491 -0
  118. package/bin/skills/deepchem/scripts/graph_neural_network.py +338 -0
  119. package/bin/skills/deepchem/scripts/predict_solubility.py +224 -0
  120. package/bin/skills/deepchem/scripts/transfer_learning.py +375 -0
  121. package/bin/skills/deeptools/SKILL.md +531 -0
  122. package/bin/skills/deeptools/assets/quick_reference.md +58 -0
  123. package/bin/skills/deeptools/references/effective_genome_sizes.md +116 -0
  124. package/bin/skills/deeptools/references/normalization_methods.md +410 -0
  125. package/bin/skills/deeptools/references/tools_reference.md +533 -0
  126. package/bin/skills/deeptools/references/workflows.md +474 -0
  127. package/bin/skills/deeptools/scripts/validate_files.py +195 -0
  128. package/bin/skills/deeptools/scripts/workflow_generator.py +454 -0
  129. package/bin/skills/denario/SKILL.md +215 -0
  130. package/bin/skills/denario/references/examples.md +494 -0
  131. package/bin/skills/denario/references/installation.md +213 -0
  132. package/bin/skills/denario/references/llm_configuration.md +265 -0
  133. package/bin/skills/denario/references/research_pipeline.md +471 -0
  134. package/bin/skills/diffdock/SKILL.md +483 -0
  135. package/bin/skills/diffdock/assets/batch_template.csv +4 -0
  136. package/bin/skills/diffdock/assets/custom_inference_config.yaml +90 -0
  137. package/bin/skills/diffdock/references/confidence_and_limitations.md +182 -0
  138. package/bin/skills/diffdock/references/parameters_reference.md +163 -0
  139. package/bin/skills/diffdock/references/workflows_examples.md +392 -0
  140. package/bin/skills/diffdock/scripts/analyze_results.py +334 -0
  141. package/bin/skills/diffdock/scripts/prepare_batch_csv.py +254 -0
  142. package/bin/skills/diffdock/scripts/setup_check.py +278 -0
  143. package/bin/skills/dnanexus-integration/SKILL.md +383 -0
  144. package/bin/skills/dnanexus-integration/references/app-development.md +247 -0
  145. package/bin/skills/dnanexus-integration/references/configuration.md +646 -0
  146. package/bin/skills/dnanexus-integration/references/data-operations.md +400 -0
  147. package/bin/skills/dnanexus-integration/references/job-execution.md +412 -0
  148. package/bin/skills/dnanexus-integration/references/python-sdk.md +523 -0
  149. package/bin/skills/document-skills/docx/LICENSE.txt +30 -0
  150. package/bin/skills/document-skills/docx/SKILL.md +233 -0
  151. package/bin/skills/document-skills/docx/docx-js.md +350 -0
  152. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-chart.xsd +1499 -0
  153. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-chartDrawing.xsd +146 -0
  154. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-diagram.xsd +1085 -0
  155. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-lockedCanvas.xsd +11 -0
  156. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-main.xsd +3081 -0
  157. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-picture.xsd +23 -0
  158. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/dml-spreadsheetDrawing.xsd +185 -0
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  160. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/pml.xsd +1676 -0
  161. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/shared-additionalCharacteristics.xsd +28 -0
  162. package/bin/skills/document-skills/docx/ooxml/schemas/ISO-IEC29500-4_2016/shared-bibliography.xsd +144 -0
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  193. package/bin/skills/document-skills/docx/ooxml/scripts/validate.py +69 -0
  194. package/bin/skills/document-skills/docx/ooxml/scripts/validation/__init__.py +15 -0
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@@ -0,0 +1,572 @@
1
+ # Running Quantum Experiments
2
+
3
+ This guide covers designing and executing quantum experiments, including parameter sweeps, data collection, and using the ReCirq framework.
4
+
5
+ ## Experiment Design
6
+
7
+ ### Basic Experiment Structure
8
+
9
+ ```python
10
+ import cirq
11
+ import numpy as np
12
+ import pandas as pd
13
+
14
+ class QuantumExperiment:
15
+ """Base class for quantum experiments."""
16
+
17
+ def __init__(self, qubits, simulator=None):
18
+ self.qubits = qubits
19
+ self.simulator = simulator or cirq.Simulator()
20
+ self.results = []
21
+
22
+ def build_circuit(self, **params):
23
+ """Build circuit with given parameters."""
24
+ raise NotImplementedError
25
+
26
+ def run(self, params_list, repetitions=1000):
27
+ """Run experiment with parameter sweep."""
28
+ for params in params_list:
29
+ circuit = self.build_circuit(**params)
30
+ result = self.simulator.run(circuit, repetitions=repetitions)
31
+ self.results.append({
32
+ 'params': params,
33
+ 'result': result
34
+ })
35
+ return self.results
36
+
37
+ def analyze(self):
38
+ """Analyze experimental results."""
39
+ raise NotImplementedError
40
+ ```
41
+
42
+ ### Parameter Sweeps
43
+
44
+ ```python
45
+ import sympy
46
+
47
+ # Define parameters
48
+ theta = sympy.Symbol('theta')
49
+ phi = sympy.Symbol('phi')
50
+
51
+ # Create parameterized circuit
52
+ def parameterized_circuit(qubits, theta, phi):
53
+ return cirq.Circuit(
54
+ cirq.ry(theta)(qubits[0]),
55
+ cirq.rz(phi)(qubits[1]),
56
+ cirq.CNOT(qubits[0], qubits[1]),
57
+ cirq.measure(*qubits, key='result')
58
+ )
59
+
60
+ # Define sweep
61
+ sweep = cirq.Product(
62
+ cirq.Linspace('theta', 0, np.pi, 20),
63
+ cirq.Linspace('phi', 0, 2*np.pi, 20)
64
+ )
65
+
66
+ # Run sweep
67
+ circuit = parameterized_circuit(cirq.LineQubit.range(2), theta, phi)
68
+ results = cirq.Simulator().run_sweep(circuit, params=sweep, repetitions=1000)
69
+ ```
70
+
71
+ ### Data Collection
72
+
73
+ ```python
74
+ def collect_experiment_data(circuit, sweep, simulator, repetitions=1000):
75
+ """Collect and organize experimental data."""
76
+
77
+ data = []
78
+ results = simulator.run_sweep(circuit, params=sweep, repetitions=repetitions)
79
+
80
+ for params, result in zip(sweep, results):
81
+ # Extract parameters
82
+ param_dict = {k: v for k, v in params.param_dict.items()}
83
+
84
+ # Extract measurements
85
+ counts = result.histogram(key='result')
86
+
87
+ # Store in structured format
88
+ data.append({
89
+ **param_dict,
90
+ 'counts': counts,
91
+ 'total': repetitions
92
+ })
93
+
94
+ return pd.DataFrame(data)
95
+
96
+ # Collect data
97
+ df = collect_experiment_data(circuit, sweep, cirq.Simulator())
98
+
99
+ # Save to file
100
+ df.to_csv('experiment_results.csv', index=False)
101
+ ```
102
+
103
+ ## ReCirq Framework
104
+
105
+ ReCirq provides a structured framework for reproducible quantum experiments.
106
+
107
+ ### ReCirq Experiment Structure
108
+
109
+ ```python
110
+ """
111
+ Standard ReCirq experiment structure:
112
+
113
+ experiment_name/
114
+ ├── __init__.py
115
+ ├── experiment.py # Main experiment code
116
+ ├── tasks.py # Data generation tasks
117
+ ├── data_collection.py # Parallel data collection
118
+ ├── analysis.py # Data analysis
119
+ └── plots.py # Visualization
120
+ """
121
+ ```
122
+
123
+ ### Task-Based Data Collection
124
+
125
+ ```python
126
+ from dataclasses import dataclass
127
+ from typing import List
128
+ import cirq
129
+
130
+ @dataclass
131
+ class ExperimentTask:
132
+ """Single task in parameter sweep."""
133
+ theta: float
134
+ phi: float
135
+ repetitions: int = 1000
136
+
137
+ def build_circuit(self, qubits):
138
+ """Build circuit for this task."""
139
+ return cirq.Circuit(
140
+ cirq.ry(self.theta)(qubits[0]),
141
+ cirq.rz(self.phi)(qubits[1]),
142
+ cirq.CNOT(qubits[0], qubits[1]),
143
+ cirq.measure(*qubits, key='result')
144
+ )
145
+
146
+ def run(self, qubits, simulator):
147
+ """Execute task."""
148
+ circuit = self.build_circuit(qubits)
149
+ result = simulator.run(circuit, repetitions=self.repetitions)
150
+ return {
151
+ 'theta': self.theta,
152
+ 'phi': self.phi,
153
+ 'result': result
154
+ }
155
+
156
+ # Create tasks
157
+ tasks = [
158
+ ExperimentTask(theta=t, phi=p)
159
+ for t in np.linspace(0, np.pi, 10)
160
+ for p in np.linspace(0, 2*np.pi, 10)
161
+ ]
162
+
163
+ # Execute tasks
164
+ qubits = cirq.LineQubit.range(2)
165
+ simulator = cirq.Simulator()
166
+ results = [task.run(qubits, simulator) for task in tasks]
167
+ ```
168
+
169
+ ### Parallel Data Collection
170
+
171
+ ```python
172
+ from multiprocessing import Pool
173
+ import functools
174
+
175
+ def run_task_parallel(task, qubits, simulator):
176
+ """Run single task (for parallel execution)."""
177
+ return task.run(qubits, simulator)
178
+
179
+ def collect_data_parallel(tasks, qubits, simulator, n_workers=4):
180
+ """Collect data using parallel processing."""
181
+
182
+ # Create partial function with fixed arguments
183
+ run_func = functools.partial(
184
+ run_task_parallel,
185
+ qubits=qubits,
186
+ simulator=simulator
187
+ )
188
+
189
+ # Run in parallel
190
+ with Pool(n_workers) as pool:
191
+ results = pool.map(run_func, tasks)
192
+
193
+ return results
194
+
195
+ # Use parallel collection
196
+ results = collect_data_parallel(tasks, qubits, cirq.Simulator(), n_workers=8)
197
+ ```
198
+
199
+ ## Common Quantum Algorithms
200
+
201
+ ### Variational Quantum Eigensolver (VQE)
202
+
203
+ ```python
204
+ import scipy.optimize
205
+
206
+ def vqe_experiment(hamiltonian, ansatz_func, initial_params):
207
+ """Run VQE to find ground state energy."""
208
+
209
+ def cost_function(params):
210
+ """Energy expectation value."""
211
+ circuit = ansatz_func(params)
212
+
213
+ # Measure expectation value of Hamiltonian
214
+ simulator = cirq.Simulator()
215
+ result = simulator.simulate(circuit)
216
+ energy = hamiltonian.expectation_from_state_vector(
217
+ result.final_state_vector,
218
+ qubit_map={q: i for i, q in enumerate(circuit.all_qubits())}
219
+ )
220
+ return energy.real
221
+
222
+ # Optimize parameters
223
+ result = scipy.optimize.minimize(
224
+ cost_function,
225
+ initial_params,
226
+ method='COBYLA'
227
+ )
228
+
229
+ return result
230
+
231
+ # Example: H2 molecule
232
+ def h2_ansatz(params, qubits):
233
+ """UCC ansatz for H2."""
234
+ theta = params[0]
235
+ return cirq.Circuit(
236
+ cirq.X(qubits[1]),
237
+ cirq.ry(theta)(qubits[0]),
238
+ cirq.CNOT(qubits[0], qubits[1])
239
+ )
240
+
241
+ # Define Hamiltonian (simplified)
242
+ qubits = cirq.LineQubit.range(2)
243
+ hamiltonian = cirq.PauliSum.from_pauli_strings([
244
+ cirq.PauliString({qubits[0]: cirq.Z}),
245
+ cirq.PauliString({qubits[1]: cirq.Z}),
246
+ cirq.PauliString({qubits[0]: cirq.Z, qubits[1]: cirq.Z})
247
+ ])
248
+
249
+ # Run VQE
250
+ result = vqe_experiment(
251
+ hamiltonian,
252
+ lambda p: h2_ansatz(p, qubits),
253
+ initial_params=[0.0]
254
+ )
255
+
256
+ print(f"Ground state energy: {result.fun}")
257
+ print(f"Optimal parameters: {result.x}")
258
+ ```
259
+
260
+ ### Quantum Approximate Optimization Algorithm (QAOA)
261
+
262
+ ```python
263
+ def qaoa_circuit(graph, params, p_layers):
264
+ """QAOA circuit for MaxCut problem."""
265
+
266
+ qubits = cirq.LineQubit.range(graph.number_of_nodes())
267
+ circuit = cirq.Circuit()
268
+
269
+ # Initial superposition
270
+ circuit.append(cirq.H(q) for q in qubits)
271
+
272
+ # QAOA layers
273
+ for layer in range(p_layers):
274
+ gamma = params[layer]
275
+ beta = params[p_layers + layer]
276
+
277
+ # Problem Hamiltonian (cost)
278
+ for edge in graph.edges():
279
+ i, j = edge
280
+ circuit.append(cirq.ZZPowGate(exponent=gamma)(qubits[i], qubits[j]))
281
+
282
+ # Mixer Hamiltonian
283
+ circuit.append(cirq.rx(2 * beta)(q) for q in qubits)
284
+
285
+ circuit.append(cirq.measure(*qubits, key='result'))
286
+ return circuit
287
+
288
+ # Run QAOA
289
+ import networkx as nx
290
+
291
+ graph = nx.cycle_graph(4)
292
+ p_layers = 2
293
+
294
+ def qaoa_cost(params):
295
+ """Evaluate QAOA cost function."""
296
+ circuit = qaoa_circuit(graph, params, p_layers)
297
+ simulator = cirq.Simulator()
298
+ result = simulator.run(circuit, repetitions=1000)
299
+
300
+ # Calculate MaxCut objective
301
+ total_cost = 0
302
+ counts = result.histogram(key='result')
303
+
304
+ for bitstring, count in counts.items():
305
+ cost = 0
306
+ bits = [(bitstring >> i) & 1 for i in range(graph.number_of_nodes())]
307
+ for edge in graph.edges():
308
+ i, j = edge
309
+ if bits[i] != bits[j]:
310
+ cost += 1
311
+ total_cost += cost * count
312
+
313
+ return -total_cost / 1000 # Maximize cut
314
+
315
+ # Optimize
316
+ initial_params = np.random.random(2 * p_layers) * np.pi
317
+ result = scipy.optimize.minimize(qaoa_cost, initial_params, method='COBYLA')
318
+
319
+ print(f"Optimal cost: {-result.fun}")
320
+ print(f"Optimal parameters: {result.x}")
321
+ ```
322
+
323
+ ### Quantum Phase Estimation
324
+
325
+ ```python
326
+ def qpe_circuit(unitary, eigenstate_prep, n_counting_qubits):
327
+ """Quantum Phase Estimation circuit."""
328
+
329
+ counting_qubits = cirq.LineQubit.range(n_counting_qubits)
330
+ target_qubit = cirq.LineQubit(n_counting_qubits)
331
+
332
+ circuit = cirq.Circuit()
333
+
334
+ # Prepare eigenstate
335
+ circuit.append(eigenstate_prep(target_qubit))
336
+
337
+ # Apply Hadamard to counting qubits
338
+ circuit.append(cirq.H(q) for q in counting_qubits)
339
+
340
+ # Controlled unitaries
341
+ for i, q in enumerate(counting_qubits):
342
+ power = 2 ** (n_counting_qubits - 1 - i)
343
+ # Apply controlled-U^power
344
+ for _ in range(power):
345
+ circuit.append(cirq.ControlledGate(unitary)(q, target_qubit))
346
+
347
+ # Inverse QFT on counting qubits
348
+ circuit.append(inverse_qft(counting_qubits))
349
+
350
+ # Measure counting qubits
351
+ circuit.append(cirq.measure(*counting_qubits, key='phase'))
352
+
353
+ return circuit
354
+
355
+ def inverse_qft(qubits):
356
+ """Inverse Quantum Fourier Transform."""
357
+ n = len(qubits)
358
+ ops = []
359
+
360
+ for i in range(n // 2):
361
+ ops.append(cirq.SWAP(qubits[i], qubits[n - i - 1]))
362
+
363
+ for i in range(n):
364
+ for j in range(i):
365
+ ops.append(cirq.CZPowGate(exponent=-1/2**(i-j))(qubits[j], qubits[i]))
366
+ ops.append(cirq.H(qubits[i]))
367
+
368
+ return ops
369
+ ```
370
+
371
+ ## Data Analysis
372
+
373
+ ### Statistical Analysis
374
+
375
+ ```python
376
+ def analyze_measurement_statistics(results):
377
+ """Analyze measurement statistics."""
378
+
379
+ counts = results.histogram(key='result')
380
+ total = sum(counts.values())
381
+
382
+ # Calculate probabilities
383
+ probabilities = {state: count/total for state, count in counts.items()}
384
+
385
+ # Shannon entropy
386
+ entropy = -sum(p * np.log2(p) for p in probabilities.values() if p > 0)
387
+
388
+ # Most likely outcome
389
+ most_likely = max(counts.items(), key=lambda x: x[1])
390
+
391
+ return {
392
+ 'probabilities': probabilities,
393
+ 'entropy': entropy,
394
+ 'most_likely_state': most_likely[0],
395
+ 'most_likely_probability': most_likely[1] / total
396
+ }
397
+ ```
398
+
399
+ ### Expectation Value Calculation
400
+
401
+ ```python
402
+ def calculate_expectation_value(circuit, observable, simulator):
403
+ """Calculate expectation value of observable."""
404
+
405
+ # Remove measurements
406
+ circuit_no_measure = cirq.Circuit(
407
+ m for m in circuit if not isinstance(m, cirq.MeasurementGate)
408
+ )
409
+
410
+ result = simulator.simulate(circuit_no_measure)
411
+ state_vector = result.final_state_vector
412
+
413
+ # Calculate ⟨ψ|O|ψ⟩
414
+ expectation = observable.expectation_from_state_vector(
415
+ state_vector,
416
+ qubit_map={q: i for i, q in enumerate(circuit.all_qubits())}
417
+ )
418
+
419
+ return expectation.real
420
+ ```
421
+
422
+ ### Fidelity Estimation
423
+
424
+ ```python
425
+ def state_fidelity(state1, state2):
426
+ """Calculate fidelity between two states."""
427
+ return np.abs(np.vdot(state1, state2)) ** 2
428
+
429
+ def process_fidelity(result1, result2):
430
+ """Calculate process fidelity from measurement results."""
431
+
432
+ counts1 = result1.histogram(key='result')
433
+ counts2 = result2.histogram(key='result')
434
+
435
+ # Normalize to probabilities
436
+ total1 = sum(counts1.values())
437
+ total2 = sum(counts2.values())
438
+
439
+ probs1 = {k: v/total1 for k, v in counts1.items()}
440
+ probs2 = {k: v/total2 for k, v in counts2.items()}
441
+
442
+ # Classical fidelity (Bhattacharyya coefficient)
443
+ all_states = set(probs1.keys()) | set(probs2.keys())
444
+ fidelity = sum(np.sqrt(probs1.get(s, 0) * probs2.get(s, 0))
445
+ for s in all_states) ** 2
446
+
447
+ return fidelity
448
+ ```
449
+
450
+ ## Visualization
451
+
452
+ ### Plot Parameter Landscapes
453
+
454
+ ```python
455
+ import matplotlib.pyplot as plt
456
+
457
+ def plot_parameter_landscape(theta_vals, phi_vals, energies):
458
+ """Plot 2D parameter landscape."""
459
+
460
+ plt.figure(figsize=(10, 8))
461
+ plt.contourf(theta_vals, phi_vals, energies, levels=50, cmap='viridis')
462
+ plt.colorbar(label='Energy')
463
+ plt.xlabel('θ')
464
+ plt.ylabel('φ')
465
+ plt.title('Energy Landscape')
466
+ plt.show()
467
+ ```
468
+
469
+ ### Plot Convergence
470
+
471
+ ```python
472
+ def plot_optimization_convergence(optimization_history):
473
+ """Plot optimization convergence."""
474
+
475
+ iterations = range(len(optimization_history))
476
+ energies = [result['energy'] for result in optimization_history]
477
+
478
+ plt.figure(figsize=(10, 6))
479
+ plt.plot(iterations, energies, 'b-', linewidth=2)
480
+ plt.xlabel('Iteration')
481
+ plt.ylabel('Energy')
482
+ plt.title('Optimization Convergence')
483
+ plt.grid(True)
484
+ plt.show()
485
+ ```
486
+
487
+ ### Plot Measurement Distributions
488
+
489
+ ```python
490
+ def plot_measurement_distribution(results):
491
+ """Plot measurement outcome distribution."""
492
+
493
+ counts = results.histogram(key='result')
494
+
495
+ plt.figure(figsize=(12, 6))
496
+ plt.bar(counts.keys(), counts.values())
497
+ plt.xlabel('Measurement Outcome')
498
+ plt.ylabel('Counts')
499
+ plt.title('Measurement Distribution')
500
+ plt.xticks(rotation=45)
501
+ plt.tight_layout()
502
+ plt.show()
503
+ ```
504
+
505
+ ## Best Practices
506
+
507
+ 1. **Structure experiments clearly**: Use ReCirq patterns for reproducibility
508
+ 2. **Separate tasks**: Divide data generation, collection, and analysis
509
+ 3. **Use parameter sweeps**: Explore parameter space systematically
510
+ 4. **Save intermediate results**: Don't lose expensive computation
511
+ 5. **Parallelize when possible**: Use multiprocessing for independent tasks
512
+ 6. **Track metadata**: Record experiment conditions, timestamps, versions
513
+ 7. **Validate on simulators**: Test experimental code before hardware
514
+ 8. **Implement error handling**: Robust code for long-running experiments
515
+ 9. **Version control data**: Track experimental data alongside code
516
+ 10. **Document thoroughly**: Clear documentation for reproducibility
517
+
518
+ ## Example: Complete Experiment
519
+
520
+ ```python
521
+ # Full experimental workflow
522
+ class VQEExperiment(QuantumExperiment):
523
+ """Complete VQE experiment."""
524
+
525
+ def __init__(self, hamiltonian, ansatz, qubits):
526
+ super().__init__(qubits)
527
+ self.hamiltonian = hamiltonian
528
+ self.ansatz = ansatz
529
+ self.history = []
530
+
531
+ def build_circuit(self, params):
532
+ return self.ansatz(params, self.qubits)
533
+
534
+ def cost_function(self, params):
535
+ circuit = self.build_circuit(params)
536
+ result = self.simulator.simulate(circuit)
537
+ energy = self.hamiltonian.expectation_from_state_vector(
538
+ result.final_state_vector,
539
+ qubit_map={q: i for i, q in enumerate(self.qubits)}
540
+ )
541
+ self.history.append({'params': params, 'energy': energy.real})
542
+ return energy.real
543
+
544
+ def run(self, initial_params):
545
+ result = scipy.optimize.minimize(
546
+ self.cost_function,
547
+ initial_params,
548
+ method='COBYLA',
549
+ options={'maxiter': 100}
550
+ )
551
+ return result
552
+
553
+ def analyze(self):
554
+ # Plot convergence
555
+ energies = [h['energy'] for h in self.history]
556
+ plt.plot(energies)
557
+ plt.xlabel('Iteration')
558
+ plt.ylabel('Energy')
559
+ plt.title('VQE Convergence')
560
+ plt.show()
561
+
562
+ return {
563
+ 'final_energy': self.history[-1]['energy'],
564
+ 'optimal_params': self.history[-1]['params'],
565
+ 'num_iterations': len(self.history)
566
+ }
567
+
568
+ # Run experiment
569
+ experiment = VQEExperiment(hamiltonian, h2_ansatz, qubits)
570
+ result = experiment.run(initial_params=[0.0])
571
+ analysis = experiment.analyze()
572
+ ```