Merge branch 'evolve-sparse-observable' into c-api-demo

crates/accelerate/src/circuit_library/pauli_feature_map.rs

@@ -178,17 +178,17 @@ fn _get_evolution_layer<'a>(
             // to call CircuitData::from_packed_operations. This is needed since we might
             // have to interject barriers, which are not a standard gate and prevents us
             // from using CircuitData::from_standard_gates.
-            let evo = pauli_evolution::pauli_evolution(
+            let evo = pauli_evolution::sparse_term_evolution(
                 pauli,
                 indices.into_iter().rev().collect(),
                 multiply_param(&angle, alpha, py),
                 true,
                 false,
-            )
-            .map(|(gate, params, qargs)| {
-                (gate.into(), params, qargs.to_vec(), vec![] as Vec<Clbit>)
-            })
-            .collect::<Vec<Instruction>>();
+            );
+            // .map(|(gate, params, qargs)| {
+            //     (gate.into(), params, qargs.to_vec(), vec![] as Vec<Clbit>)
+            // })
+            // .collect::<Vec<Instruction>>();
             insts.extend(evo);
         }
     }

crates/accelerate/src/sparse_observable/mod.rs

@@ -1837,6 +1837,10 @@ impl PySparseTerm {
         Ok(obs.into())
     }
 
+    fn to_label(&self) -> PyResult<String> {
+        Ok(self.inner.view().to_sparse_str())
+    }
+
     fn __eq__(slf: Bound<Self>, other: Bound<PyAny>) -> PyResult<bool> {
         if slf.is(&other) {
             return Ok(true);

qiskit/circuit/library/pauli_evolution.py

@@ -20,11 +20,23 @@
 from qiskit.circuit.gate import Gate
 from qiskit.circuit.quantumcircuit import ParameterValueType
 from qiskit.circuit.parameterexpression import ParameterExpression
-from qiskit.quantum_info import Pauli, SparsePauliOp
+from qiskit.quantum_info import Pauli, SparsePauliOp, SparseObservable
 
 if TYPE_CHECKING:
     from qiskit.synthesis.evolution import EvolutionSynthesis
 
+BIT_LABELS = {
+    0b0001: "Z",
+    0b1001: "0",
+    0b0101: "1",
+    0b0010: "X",
+    0b1010: "+",
+    0b0110: "-",
+    0b0011: "Y",
+    0b1011: "r",
+    0b0111: "l",
+}
+
 
 class PauliEvolutionGate(Gate):
     r"""Time-evolution of an operator consisting of Paulis.
@@ -90,15 +102,19 @@ class PauliEvolutionGate(Gate):
 
     def __init__(
         self,
-        operator: Pauli | SparsePauliOp | list[Pauli | SparsePauliOp],
+        operator: (
+            Pauli
+            | SparsePauliOp
+            | SparseObservable
+            | list[Pauli | SparsePauliOp | SparseObservable]
+        ),
         time: ParameterValueType = 1.0,
         label: str | None = None,
         synthesis: EvolutionSynthesis | None = None,
     ) -> None:
         """
         Args:
-            operator (Pauli | SparsePauliOp | list):
-                The operator to evolve. Can also be provided as list of non-commuting
+            operator: The operator to evolve. Can also be provided as list of non-commuting
                 operators where the elements are sums of commuting operators.
                 For example: ``[XY + YX, ZZ + ZI + IZ, YY]``.
             time: The evolution time.
@@ -110,9 +126,9 @@ class docstring for an example.
                 product formula with a single repetition.
         """
         if isinstance(operator, list):
-            operator = [_to_sparse_pauli_op(op) for op in operator]
+            operator = [_to_sparse_op(op) for op in operator]
         else:
-            operator = _to_sparse_pauli_op(operator)
+            operator = _to_sparse_op(operator)
 
         if label is None:
             label = _get_default_label(operator)
@@ -159,32 +175,43 @@ def validate_parameter(self, parameter: ParameterValueType) -> ParameterValueTyp
         return super().validate_parameter(parameter)
 
 
-def _to_sparse_pauli_op(operator):
+def _to_sparse_op(
+    operator: Pauli | SparsePauliOp | SparseObservable,
+) -> SparsePauliOp | SparseObservable:
     """Cast the operator to a SparsePauliOp."""
 
     if isinstance(operator, Pauli):
-        sparse_pauli = SparsePauliOp(operator)
-    elif isinstance(operator, SparsePauliOp):
-        sparse_pauli = operator
+        sparse = SparsePauliOp(operator)
+    elif isinstance(operator, (SparseObservable, SparsePauliOp)):
+        sparse = operator
     else:
         raise ValueError(f"Unsupported operator type for evolution: {type(operator)}.")
 
-    if any(np.iscomplex(sparse_pauli.coeffs)):
+    if any(np.iscomplex(sparse.coeffs)):
         raise ValueError("Operator contains complex coefficients, which are not supported.")
-    if any(isinstance(coeff, ParameterExpression) for coeff in sparse_pauli.coeffs):
+    if any(isinstance(coeff, ParameterExpression) for coeff in sparse.coeffs):
         raise ValueError("Operator contains ParameterExpression, which are not supported.")
 
-    return sparse_pauli
+    return sparse
+
+
+def _operator_label(operator):
+    if isinstance(operator, SparseObservable):
+        if len(operator) == 1:
+            return _sparse_term_label(operator[0])
+        return "(" + " + ".join(_sparse_term_label(term) for term in operator) + ")"
+
+    # else: is a SparsePauliOp
+    if len(operator.paulis) == 1:
+        return operator.paulis.to_labels()[0]
+    return "(" + " + ".join(operator.paulis.to_labels()) + ")"
 
 
 def _get_default_label(operator):
     if isinstance(operator, list):
-        label = f"exp(-it ({[' + '.join(op.paulis.to_labels()) for op in operator]}))"
-    else:
-        if len(operator.paulis) == 1:
-            label = f"exp(-it {operator.paulis.to_labels()[0]})"
-        # for just a single Pauli don't add brackets around the sum
-        else:
-            label = f"exp(-it ({' + '.join(operator.paulis.to_labels())}))"
+        return f"exp(-it ({[_operator_label(op) for op in operator]}))"
+    return f"exp(-it {_operator_label(operator)})"
+
 
-    return label
+def _sparse_term_label(term):
+    return "".join(BIT_LABELS[bit] for bit in reversed(term.bit_terms))

qiskit/synthesis/evolution/lie_trotter.py

@@ -61,8 +61,10 @@ def __init__(
         ) = None,
         wrap: bool = False,
         preserve_order: bool = True,
+        *,
+        atomic_evolution_sparse_observable: bool = False,
     ) -> None:
-        """
+        r"""
         Args:
             reps: The number of time steps.
             insert_barriers: Whether to insert barriers between the atomic evolutions.
@@ -83,6 +85,11 @@ def __init__(
             preserve_order: If ``False``, allows reordering the terms of the operator to
                 potentially yield a shallower evolution circuit. Not relevant
                 when synthesizing operator with a single term.
+            atomic_evolution_sparse_observable: If a custom ``atomic_evolution`` is passed,
+                which does not yet support :class:`.SparseObservable`\ s as input, set this
+                argument to ``False`` to automatically apply a conversion to :class:`.SparsePauliOp`.
+                This argument is supported until Qiskit 2.2, at which point all atomic evolutions
+                are required to support :class:`.SparseObservable`\ s as input.
         """
         super().__init__(
             1,
@@ -92,6 +99,7 @@ def __init__(
             atomic_evolution,
             wrap,
             preserve_order=preserve_order,
+            atomic_evolution_sparse_observable=atomic_evolution_sparse_observable,
         )
 
     @property

qiskit/synthesis/evolution/product_formula.py

@@ -14,6 +14,7 @@
 
 from __future__ import annotations
 
+import warnings
 import inspect
 import itertools
 from collections.abc import Callable, Sequence
@@ -24,7 +25,7 @@
 import rustworkx as rx
 from qiskit.circuit.parameterexpression import ParameterExpression
 from qiskit.circuit.quantumcircuit import QuantumCircuit, ParameterValueType
-from qiskit.quantum_info import SparsePauliOp, Pauli
+from qiskit.quantum_info import SparsePauliOp, Pauli, SparseObservable
 from qiskit.utils.deprecation import deprecate_arg
 from qiskit._accelerate.circuit_library import pauli_evolution
 
@@ -70,8 +71,10 @@ def __init__(
         ) = None,
         wrap: bool = False,
         preserve_order: bool = True,
+        *,
+        atomic_evolution_sparse_observable: bool = False,
     ) -> None:
-        """
+        r"""
         Args:
             order: The order of the product formula.
             reps: The number of time steps.
@@ -94,6 +97,11 @@ def __init__(
             preserve_order: If ``False``, allows reordering the terms of the operator to
                 potentially yield a shallower evolution circuit. Not relevant
                 when synthesizing operator with a single term.
+            atomic_evolution_sparse_observable: If a custom ``atomic_evolution`` is passed,
+                which does not yet support :class:`.SparseObservable`\ s as input, set this
+                argument to ``False`` to automatically apply a conversion to :class:`.SparsePauliOp`.
+                This argument is supported until Qiskit 2.2, at which point all atomic evolutions
+                are required to support :class:`.SparseObservable`\ s as input.
         """
         super().__init__()
         self.order = order
@@ -113,17 +121,10 @@ def __init__(
         # if atomic evolution is not provided, set a default
         if atomic_evolution is None:
             self.atomic_evolution = None
-
-        elif len(inspect.signature(atomic_evolution).parameters) == 2:
-
-            def wrap_atomic_evolution(output, operator, time):
-                definition = atomic_evolution(operator, time)
-                output.compose(definition, wrap=wrap, inplace=True)
-
-            self.atomic_evolution = wrap_atomic_evolution
-
         else:
-            self.atomic_evolution = atomic_evolution
+            self.atomic_evolution = wrap_custom_atomic_evolution(
+                atomic_evolution, wrap, atomic_evolution_sparse_observable
+            )
 
     def expand(
         self, evolution: PauliEvolutionGate
@@ -204,7 +205,7 @@ def _custom_evolution(self, num_qubits, pauli_rotations):
         for i, pauli_rotation in enumerate(pauli_rotations):
             if self._atomic_evolution is not None:
                 # use the user-provided evolution with a global operator
-                operator = SparsePauliOp.from_sparse_list([pauli_rotation], num_qubits)
+                operator = SparseObservable.from_sparse_list([pauli_rotation], num_qubits)
                 self.atomic_evolution(circuit, operator, time=1)  # time is inside the Pauli coeff
 
             else:  # this means self._wrap is True
@@ -303,3 +304,42 @@ def _term_sort_key(term: SparsePauliLabel) -> typing.Any:
 
     terms = list(itertools.chain(*terms_by_color.values()))
     return terms
+
+
+def wrap_custom_atomic_evolution(atomic_evolution, wrap, support_sparse_observable):
+    r"""Wrap a custom atomic evolution into compatible format for the product formula.
+
+    This includes an inplace action, i.e. the signature is (circuit, operator, time) and
+    ensuring that ``SparseObservable``\ s are supported.
+    """
+    # first, ensure that the atomic evolution works in-place
+    if len(inspect.signature(atomic_evolution).parameters) == 2:
+
+        def inplace_atomic_evolution(output, operator, time):
+            definition = atomic_evolution(operator, time)
+            output.compose(definition, wrap=wrap, inplace=True)
+
+    else:
+        inplace_atomic_evolution = atomic_evolution
+
+    # next, enable backward compatible use of atomic evolutions, that did not support
+    # SparseObservable inputs
+    if support_sparse_observable is False:
+        warnings.warn(
+            "The atomic_evolution should support SparseObservables as operator input. "
+            "Until Qiskit 2.2, an automatic conversion to SparsePauliOp is done, which can "
+            "be turned off by passing the argument atomic_evolution_sparse_observable=True.",
+            category=PendingDeprecationWarning,
+            stacklevel=2,
+        )
+
+        def sparseobs_atomic_evolution(output, operator, time):
+            if isinstance(operator, SparseObservable):
+                operator = SparsePauliOp.from_sparse_observable(operator)
+
+            inplace_atomic_evolution(output, operator, time)
+
+    else:
+        sparseobs_atomic_evolution = inplace_atomic_evolution
+
+    return sparseobs_atomic_evolution

qiskit/synthesis/evolution/qdrift.py

@@ -69,6 +69,8 @@ def __init__(
         seed: int | None = None,
         wrap: bool = False,
         preserve_order: bool = True,
+        *,
+        atomic_evolution_sparse_observable: bool = False,
     ) -> None:
         r"""
         Args:
@@ -92,9 +94,21 @@ def __init__(
             preserve_order: If ``False``, allows reordering the terms of the operator to
                 potentially yield a shallower evolution circuit. Not relevant
                 when synthesizing operator with a single term.
+            atomic_evolution_sparse_observable: If a custom ``atomic_evolution`` is passed,
+                which does not yet support :class:`.SparseObservable`\ s as input, set this
+                argument to ``False`` to automatically apply a conversion to :class:`.SparsePauliOp`.
+                This argument is supported until Qiskit 2.2, at which point all atomic evolutions
+                are required to support :class:`.SparseObservable`\ s as input.
         """
         super().__init__(
-            1, reps, insert_barriers, cx_structure, atomic_evolution, wrap, preserve_order
+            1,
+            reps,
+            insert_barriers,
+            cx_structure,
+            atomic_evolution,
+            wrap,
+            preserve_order,
+            atomic_evolution_sparse_observable=atomic_evolution_sparse_observable,
         )
         self.sampled_ops = None
         self.rng = np.random.default_rng(seed)