Operator Flow (qiskit-community/qiskit-aqua#852)

dongreenberg · manoelmarques · woodsp-ibm · web-flow · commit ab5b92dfe6c6 · 2020-04-27T17:54:44.000-04:00
* Add abelian property to opvecs and AbelianGrouper to operator init.

* Break up PauliCoB big clifford synthesis function into smaller ones.

* Add AbelianGrouper test.

* Add better input checking in primitives and remove unnecessary print.

* Fix coeffs bugs in pauli_cob.py.

* Reorganize pauli_cob. All tests pass, with grouping on and off.

* Change expectation_value backends to work through setters.

* Reorganize local_simulator_sampler.py a bit to use it in a test.

* Grouping Paulis works!! All tests pass.

* Add "compute TPB pauli" function to pauli_cob.

* Add WIP attempt at evolution over Abelian paulis.

* Fix trotter bug.

* Fix some other Trotter bugs.

* Add parameters to OpPaulis and test. Parameterized evolution passes!!!

* Add parameter binding for Op coefficients.

* Add parameter binding, and binding tests. Tests pass.

* Add division to Operators to make normalization convenient.

* Finish merging MinEigenSolver PR. All tests pass.

* Update QAOA, all tests pass!!

* Update some QAOA imports and typehints.

* Add QDrift trotterization method. All tests pass.

* Start migrating QPE, tests fail.

* fix spell

* fix almost all style errors

* fix copyright

* fix import cycles, changed to relative imports when possible

* relative imports

* Add bind_params to state_fn_circuit.py and op_circuit.py, and tests. Add list unrolling for param binding, and tests. Tests pass.

* Add param list handling for all Op types.

* Make OpVec printing nicer.

* Add op_converter to imports for better backwards compatibility.

* Add AerPauliExpectation tests. Tests pass. Issue with Aer though.

* Fix a few AerPauliExpectation bugs

* Start building toward parameterized Qobj.

* fix some lint errors

* fix some lint errors

* fix style

* fix copyright

* set style to defaults, fix aqua unit test loading

* change loading tests qpe/iqpe

* Fix OpPrimitive lint errors.

* Fix operator_base.py lint errors.

* Fix state_fn.py lint errors.

* Fix OpVec lint errors.

* Fix state_fn_circuit.py lint errors.

* Fix state_fn_dict.py lint errors.

* Fix state_fn_operator.py lint errors.

* Fix state_fn_vector.py lint errors. Tests pass.

* Fix QDrift test to deal with first Op in trotterization list being OpCircuit.

* Fix op_circuit.py lint errors.

* Fix op_pauli.py lint errors.

* Fix op_composition.py lint errors.

* Fix op_kron.py lint errors.

* Fix abelian_grouper.py lint errors. Tests pass.

* Fix pauli_cob.py lint errors. Tests pass.

* Fix Expectation lint errors. Tests pass.

* Fix circuit sampler lint errors. Tests pass.

* Fix other expectation lint errors. Tests pass.

* Fix trotterization lint errors. Tests pass.

* Add MatrixEvolution shell, fix evolution lint errors.

* Fix bug in evolution tests after fixing lint errors.

* Fix cyclic import for lint.

* fix pylint cyclic import error

* Make tests pass. Add aux_ops back to VQE, and make VQE and QAOA take old or new ops.

* fix spell and lint

* Fix swapping issue in evolution.

* Fix composition in OpEvolution.

* Fix add OpSum and kron OpKron in OpEvolution.

* Add to_opflow to legacy base_operator

* Clean OpCircuit and StateFnCircuit __str__

* Fix qaoa mixer.

* fix spell,style

* Ok now really all tests pass.

* add to_matrix_op() methods to ops.

* Start migrating NumpyEigensolver for Opflow

* Start removing back from op_primitive eval functions. All tests pass.

* Update eval logic (to be able to remove back) for operator_combos.

* Add to_matrix_op for OpMatrix and StateFnVector, and change some `if back`s to `if back is not None`

* Finish decoupling back args from evals. All tests pass.

* Remove back from eval logic.

* Remove back from eval. All tests pass.

* Change matrix_expectation.py to rely on to_matrix_op.

* Migrate numpy_eigen_solver.py and numpy_minimum_eigen_solver.

* Remove ToMatrixOp converter.

* set VQE _auto_conversion to False for now

* Add sampling and tests. Fix a rounding error in a test. Fix a not none error in numpy_eigen_solver.py.

* Add array methods to OpVec. Fix typo in OpPauli. Allow reverse_endianness in to_opflow for WeightedPauli.

* Make NumpyEigensolver return a StateFn in result.eigenstate.

* Fix flaky optimization tests. Fix OpVec so iterator interface works.

* Fix StateFnVector sampling. Fix sparse NumpyEigensolution. Fix some aux_op stuff. Fix some other things here and there. Please no more breakage.

* Change some sparsity stuff.

* fix spelling

* Typehints.

* More typehints

* fix copyright

* fix spelling

* More typehints, make globals immutable.

* fix style

* Rearrange tests, Add CZ to globals.

* Refactor some names.

* Rename OpEvolution to EvolutionOp. Tests pass.

* Rename primitive ops. All tests pass.

* Finish renamings.

* Test IBMQ Pauli expectation. All tests pass.

* Update spelling.

* Update Pauli to num_qubits.

* Updating some naming.

* Add diag support to fix knapsack issue.

* fix unit test

* fix unit test

* fix travis

* Turn half of Steve's comments.

* Fix some exponentiation things.

* Fix some exponentiation things.

* Add trotterization_factory. All tests pass.

* Add evolution_factory. All tests pass.

* Add circuit_sampler_factory. All tests pass.

* Rename get_primitives to primitive_strings. Turn some of Julien's changes.

* Only allow sample_circuits to accept circuit_ops. Tests pass.

* Turn more review changes

* fix spell, style

* Add matrix_op exp_i() into HamiltonianGate. Tests fail due to CircuitOp decompose() during composition. If commented out (line 158) tests pass.

* Change CircuitOp and StateFnCircuit to rely on QuantumCircuit instead of Instruction. All tests pass. Add to_circuit_op to relevant ops. Solves all the decompose issues.

* Add matrix_evolution and update QAOA to test matrix_op for cost operator. Add logic to update UCCSD to operator flow. Tests pass.

* Delete PauliToInstruction, as it's obsolete.

* Add to_pauli_op and tests. Tests pass.

* Fix composed_op.py eval bug

* Add sig digit rounding. VQE tests fail.

* better precision for sig digit rounding. Tests pass.

* Fix pep8, add comment

* Add to_circuit_op to statefns, making DictToCircuit mostly obsolete. Tests pass.

* fix cyclic imports

* fix numpy boolean to string coercion

* Update repr and a docstring.

* Make ExpectationValues into converters. Test pass.

* Fix bug from merge.

* Fix bugs, make Minus just a CircuitStateFn and not a ComposedOp.

* Uncomment HamiltonianGate

* Update lots of docstrings part I. Tests pass.

* fix docstring

* More docstrings. Change class.rst so docs are generated for some python operator overloads.

* Add navigation structure for docs to init files

* More docs.

* fix doctrings

* 1) Change local_simulator_sampler.py to circuit_sampler.py
2) Set up circuit_samplers directory to be removed.
3) Add IBMQ VQE test.
4) Change AerPauliExpectation and CircuitSampler to handle expval_measurement/snapshots correctly.

Tests pass.

* 1) Delete circuit_samplers.
2) Allow CircuitSampler to attach_results.

* Update Operator init

* Change Operator directory names. Tests pass.

* fix spell, docs

* Turn Expectations purely into converters. Tests pass.

* fix docs

* skip IBMQ test

* Add Converters docs. Tests pass.

* fix spell

* Add Evolutions docs. Tests pass.

* Add Expectation docs. Tests pass.

* fix spell

* Add StateFn docs. Tests pass.

* Fix typo.

* Add ListOp init docs.

* Fix some ordering

* Little docs edits.

* fix spell

* Little docs edits.

* 1) Add to_legacy_op to OperatorBase to allow non-migrated algos to accept new Operators.
2) Allow QPE and iQPE to accept new Operators, migrate tests. Tests pass.

* Fix typehints for minimum_eigen_solvers

* Make sure expectations can handle mixed observables.

* fix spell

* Turn some more of Steve's comments. Tests pass.

* Turn some more of Steve's comments. Fix a buncha parameter stuff, and make sure mixed Pauli evolution works.

* Turn some more of Steve's comments. Tests pass.

* Turn some comments, fix a QAOA bug.

* Try collapsing ListOp to_matrix a bit.

* Turn more comments, fix some bugs.

* Turn more comments, fix some bugs.

* Update ListOp docs.

* Update ListOp docs.

* Update ListOp docs.

* fix docstring

* Update minimum_eigen_solvers setter typehints.

* Add Changelog and tests for DictToCircuitSum.

* Update VQE's construct_circuit and some changelog elements.

* fix spell

* Allow MinEigenOptimizer to accept StateFn result in result.eigenstate.

* fix style

* Update changelog with more detail. Update VQE to call super.

* Typo

Co-authored-by: Manoel Marques &lt;manoel@us.ibm.com&gt;
Co-authored-by: woodsp &lt;woodsp@us.ibm.com&gt;
diff --git a/qiskit/finance/applications/ising/portfolio.py b/qiskit/finance/applications/ising/portfolio.py
@@ -57,16 +57,16 @@ def get_operator(mu, sigma, q, budget, penalty):  # pylint: disable=invalid-name
     E = np.matmul(np.asmatrix(e).T, np.asmatrix(e))
 
     # map problem to Ising model
-    offset = -1*np.dot(mu, e)/2 + penalty*budget**2 - \
-        budget*n*penalty + n**2*penalty/4 + q/4*np.dot(e, np.dot(sigma, e))
-    mu_z = mu/2 + budget*penalty*e - n*penalty/2*e - q/2*np.dot(sigma, e)
-    sigma_z = penalty/4*E + q/4*sigma
+    offset = -1 * np.dot(mu, e) / 2 + penalty * budget ** 2 - \
+        budget * n * penalty + n ** 2 * penalty / 4 + q / 4 * np.dot(e, np.dot(sigma, e))
+    mu_z = mu / 2 + budget * penalty * e - n * penalty / 2 * e - q / 2 * np.dot(sigma, e)
+    sigma_z = penalty / 4 * E + q / 4 * sigma
 
     # construct operator
     pauli_list = []
     for i in range(n):
         i_ = i
-        # i_ = n-i-1
+        # i_ = n - i - 1
         if np.abs(mu_z[i_]) > 1e-6:
             xp = np.zeros(n, dtype=np.bool)
             zp = np.zeros(n, dtype=np.bool)
@@ -80,7 +80,7 @@ def get_operator(mu, sigma, q, budget, penalty):  # pylint: disable=invalid-name
                 zp = np.zeros(n, dtype=np.bool)
                 zp[i_] = True
                 zp[j_] = True
-                pauli_list.append([2*sigma_z[i_, j_], Pauli(zp, xp)])
+                pauli_list.append([2 * sigma_z[i_, j_], Pauli(zp, xp)])
         offset += sigma_z[i_, i_]
 
     return WeightedPauliOperator(paulis=pauli_list), offset
diff --git a/qiskit/finance/applications/ising/portfolio_diversification.py b/qiskit/finance/applications/ising/portfolio_diversification.py
@@ -17,7 +17,7 @@
 import numpy as np
 from qiskit.quantum_info import Pauli
 
-from qiskit.aqua.operators import WeightedPauliOperator
+from qiskit.aqua.operators import WeightedPauliOperator, StateFn
 
 
 def get_operator(rho, n, q):
@@ -46,52 +46,52 @@ def get_operator(rho, n, q):
     Q2 = np.zeros([N, N])
     Q3 = np.zeros([N, N])
 
-    for x in range(n**2, n**2+n):
+    for x in range(n ** 2, n ** 2 + n):
         q0[x] = 1
 
-    Q0 = A*np.dot(q0, q0.T)
+    Q0 = A * np.dot(q0, q0.T)
     for ii in range(0, n):
         v0 = np.zeros([N, 1])
-        for jj in range(n*ii, n*(ii+1)):
+        for jj in range(n * ii, n * (ii + 1)):
             v0[jj] = 1
         Q1 = Q1 + np.dot(v0, v0.T)
-    Q1 = A*Q1
+    Q1 = A * Q1
 
     for jj in range(0, n):
         v0 = np.zeros([N, 1])
-        v0[n*jj+jj] = 1
-        v0[n**2+jj] = -1
+        v0[n * jj + jj] = 1
+        v0[n ** 2 + jj] = -1
         Q2 = Q2 + np.dot(v0, v0.T)
-    Q2 = A*Q2
+    Q2 = A * Q2
 
     for ii in range(0, n):
         for jj in range(0, n):
-            Q3[ii*n + jj, n**2+jj] = -0.5
+            Q3[ii * n + jj, n ** 2 + jj] = -0.5
             Q3[n ** 2 + jj, ii * n + jj] = -0.5
 
     Q3 = A * Q3
 
-    Q = Q0+Q1+Q2+Q3
+    Q = Q0 + Q1 + Q2 + Q3
 
     # linear term c:
     c0 = np.zeros(N)
     c1 = np.zeros(N)
     c2 = np.zeros(N)
     c3 = np.zeros(N)
 
-    for x in range(n**2):
+    for x in range(n ** 2):
         c0[x] = instance_vec[x]
-    for x in range(n**2, n**2+n):
-        c1[x] = -2*A*q
-    for x in range(n**2):
-        c2[x] = -2*A
-    for x in range(n**2):
+    for x in range(n ** 2, n ** 2 + n):
+        c1[x] = -2 * A * q
+    for x in range(n ** 2):
+        c2[x] = -2 * A
+    for x in range(n ** 2):
         c3[x] = A
 
-    g = c0+c1+c2+c3
+    g = c0 + c1 + c2 + c3
 
     # constant term r
-    c = A*(q**2 + n)
+    c = A * (q ** 2 + n)
 
     # Defining the new matrices in the Z-basis
 
@@ -142,14 +142,16 @@ def get_portfoliodiversification_solution(rho, n, q, result):  # pylint: disable
     # pylint: disable=invalid-name
     del rho, q  # unused
     v = result['eigvecs'][0]
+    if isinstance(v, StateFn):
+        v = v.to_matrix()
     # N = (n + 1) * n  # number of qubits
     N = n ** 2 + n
 
     index_value = [x for x in range(len(v)) if v[x] == max(v)][0]
     string_value = "{0:b}".format(index_value)
 
     while len(string_value) < N:
-        string_value = '0'+string_value
+        string_value = '0' + string_value
 
     x_state = list()
     for elements in string_value:
diff --git a/test/finance/test_portfolio_diversification.py b/test/finance/test_portfolio_diversification.py
@@ -67,7 +67,7 @@ def cplex_solution(self):
 
         my_rhs = [q] + [1 for x in range(0, n)] + \
                  [0 for x in range(0, n)] + [0.1 for x in range(0, n ** 2)]
-        my_sense = "".join(['E' for x in range(0, 1+n)]) + \
+        my_sense = "".join(['E' for x in range(0, 1 + n)]) + \
                    "".join(['E' for x in range(0, n)]) + \
                    "".join(['L' for x in range(0, n ** 2)])
 
@@ -100,12 +100,12 @@ def _populate_by_row(self, prob, my_obj, my_ub, my_lb, my_ctype, my_sense, my_rh
         prob.set_results_stream(None)
 
         rows = []
-        col = list(range(n**2, n**2+n))
+        col = list(range(n ** 2, n ** 2 + n))
         coef = [1 for x in range(0, n)]
         rows.append([col, coef])
 
         for i_i in range(0, n):
-            col = list(range(0+n*i_i, n+n*i_i))
+            col = list(range(0 + n * i_i, n + n * i_i))
             coef = [1 for x in range(0, n)]
 
             rows.append([col, coef])
@@ -117,7 +117,7 @@ def _populate_by_row(self, prob, my_obj, my_ub, my_lb, my_ctype, my_sense, my_rh
 
         for i_i in range(0, n):
             for j_j in range(0, n):
-                col = [i_i*n + j_j, n ** 2 + j_j]
+                col = [i_i * n + j_j, n ** 2 + j_j]
                 coef = [1, -1]
 
                 rows.append([col, coef])
