Fix bug with VQE method 2, using code from PR #575 (closed)

vqe/qiskit/vqe_benchmark.py

@@ -125,7 +125,7 @@ def VQEEnergy(n_spin_orbs, na, nb, circuit_id=0, method=1):
             off_diag.append(p)
 
     # modify the name of diagonal circuit
-    qc_list[0].name = qubit_op[1].primitive.to_list()[0][0] + " " + str(np.real(diag_coeff))
+    qc_list[0].name = qubit_op[1].to_list()[0][0] + " " + str(np.real(diag_coeff))
     normalization /= len(qc_list)
     return qc_list
 
@@ -293,11 +293,22 @@ def analyze_and_print_result(qc, result, num_qubits, references, num_shots):
 
     # compute fidelity
     fidelity = metrics.polarization_fidelity(counts, correct_dist)
+
+    if verbose:
+        print(f"... fidelity = {fidelity}")
 
-    # modify fidelity based on the coefficient
+    # modify fidelity based on the coefficient (only for method 2)
+    # Note: method 1 total name has 3 components, method 2 has only 2; 
     if (len(total_name.split()) == 2):
-        fidelity *= ( abs(float(total_name.split()[1])) / normalization )
-
+
+        coefficient = abs(float(total_name.split()[1])) / normalization
+        fidelity = {f : v * coefficient for f, v in fidelity.items()}
+        if verbose:
+            print(f"... total_name={total_name}, coefficient={coefficient}, product_fidelity={fidelity}")
+
+    if verbose:
+        print(f"... total fidelity = {fidelity}")
+
     return fidelity
 
 ################ Benchmark Loop
@@ -308,7 +319,7 @@ def analyze_and_print_result(qc, result, num_qubits, references, num_shots):
 # Execute program with default parameters
 def run(min_qubits=4, max_qubits=8, skip_qubits=1,
         max_circuits=3, num_shots=4092, method=1,
-        backend_id="qasm_simulator", provider_backend=None,
+        backend_id=None, provider_backend=None,
         hub="ibm-q", group="open", project="main", exec_options=None,
         context=None):
 
@@ -443,5 +454,44 @@ def execution_handler(qc, result, num_qubits, type, num_shots):
     # Plot metrics for all circuit sizes
     metrics.plot_metrics(f"Benchmark Results - {benchmark_name} ({method}) - Qiskit")
 
-# if main, execute methods     
-if __name__ == "__main__": run()
+#######################
+# MAIN
+
+import argparse
+def get_args():
+    parser = argparse.ArgumentParser(description="Variational Quantum Eigensolver Benchmark")
+    #parser.add_argument("--api", "-a", default=None, help="Programming API", type=str)
+    #parser.add_argument("--target", "-t", default=None, help="Target Backend", type=str)
+    parser.add_argument("--backend_id", "-b", default=None, help="Backend Identifier", type=str)
+    parser.add_argument("--num_qubits", "-n", default=0, help="Number of qubits (min = max = N)", type=int)
+    parser.add_argument("--min_qubits", "-min", default=4, help="Minimum number of qubits", type=int)
+    parser.add_argument("--max_qubits", "-max", default=8, help="Maximum number of qubits", type=int) 
+    parser.add_argument("--skip_qubits", "-k", default=1, help="Number of qubits to skip", type=int)
+    parser.add_argument("--max_circuits", "-c", default=3, help="Maximum circuit repetitions", type=int)  
+    parser.add_argument("--num_shots", "-s", default=4092, help="Number of shots", type=int)
+    parser.add_argument("--method", "-m", default=1, help="Algorithm Method", type=int)
+    parser.add_argument("--nonoise", "-non", action="store_true", help="Use Noiseless Simulator")
+    parser.add_argument("--verbose", "-v", action="store_true", help="Verbose")
+
+    return parser.parse_args()
+
+if __name__ == "__main__":
+    import argparse
+    args = get_args()
+
+    # special argument handling
+    ex.verbose = args.verbose
+    verbose = args.verbose
+
+    if args.num_qubits > 0: args.min_qubits = args.max_qubits = args.num_qubits
+
+    # execute benchmark program
+    run(min_qubits=args.min_qubits, max_qubits=args.max_qubits,
+        skip_qubits=args.skip_qubits, max_circuits=args.max_circuits,
+        num_shots=args.num_shots,
+        method=args.method,
+        backend_id=args.backend_id,
+        exec_options = {"noise_model" : None} if args.nonoise else {},
+        #api=args.api
+        )
+