Merge branch 'master' into ad/move-devs-to-devices-module

doc/releases/changelog-dev.md

@@ -56,6 +56,51 @@
 * Molecules and Hamiltonians can now be constructed for all the elements present in the periodic table.
   [(#5821)](https://github.com/PennyLaneAI/pennylane/pull/5821)
 
+* `qml.for_loop` and `qml.while_loop` now fallback to standard Python control
+  flow if `@qjit` is not present, allowing the same code to work with and without
+  `@qjit` without any rewrites.
+  [(#6014)](https://github.com/PennyLaneAI/pennylane/pull/6014)
+
+  ```python
+  dev = qml.device("lightning.qubit", wires=3)
+
+  @qml.qnode(dev)
+  def circuit(x, n):
+
+      @qml.for_loop(0, n, 1)
+      def init_state(i):
+          qml.Hadamard(wires=i)
+
+      init_state()
+
+      @qml.for_loop(0, n, 1)
+      def apply_operations(i, x):
+          qml.RX(x, wires=i)
+
+          @qml.for_loop(i + 1, n, 1)
+          def inner(j):
+              qml.CRY(x**2, [i, j])
+
+          inner()
+          return jnp.sin(x)
+
+      apply_operations(x)
+      return qml.probs()
+  ```
+
+  ```pycon
+  >>> print(qml.draw(circuit)(0.5, 3))
+  0: ──H──RX(0.50)─╭●────────╭●──────────────────────────────────────┤  Probs
+  1: ──H───────────╰RY(0.25)─│──────────RX(0.48)─╭●──────────────────┤  Probs
+  2: ──H─────────────────────╰RY(0.25)───────────╰RY(0.23)──RX(0.46)─┤  Probs
+  >>> circuit(0.5, 3)
+  array([0.125     , 0.125     , 0.09949758, 0.15050242, 0.07594666,
+       0.11917543, 0.08942104, 0.21545687])
+  >>> qml.qjit(circuit)(0.5, 3)
+  Array([0.125     , 0.125     , 0.09949758, 0.15050242, 0.07594666,
+       0.11917543, 0.08942104, 0.21545687], dtype=float64)
+  ```
+
 * The `qubit_observable` function is modified to return an ascending wire order for molecular 
   Hamiltonians.
   [(#5950)](https://github.com/PennyLaneAI/pennylane/pull/5950)
@@ -172,6 +217,7 @@ Lillian M. A. Frederiksen,
 Pietropaolo Frisoni,
 Emiliano Godinez,
 Renke Huang,
+Josh Izaac,
 Soran Jahangiri,
 Christina Lee,
 Austin Huang,

pennylane/compiler/qjit_api.py

@@ -12,6 +12,7 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.
 """QJIT compatible quantum and compilation operations API"""
+from collections.abc import Callable
 
 from .compiler import (
     AvailableCompilers,
@@ -377,20 +378,54 @@ def loop_rx(x):
         ops_loader = compilers[active_jit]["ops"].load()
         return ops_loader.while_loop(cond_fn)
 
-    raise CompileError("There is no active compiler package.")  # pragma: no cover
+    # if there is no active compiler, simply interpret the while loop
+    # via the Python interpretor.
+    def _decorator(body_fn: Callable) -> Callable:
+        """Transform that will call the input ``body_fn`` until the closure variable ``cond_fn`` is met.
 
+        Args:
+            body_fn (Callable):
 
-def for_loop(lower_bound, upper_bound, step):
-    """A :func:`~.qjit` compatible for-loop for PennyLane programs.
+        Closure Variables:
+            cond_fn (Callable):
 
-    .. note::
+        Returns:
+            Callable: a callable with the same signature as ``body_fn`` and ``cond_fn``.
+        """
+        return WhileLoopCallable(cond_fn, body_fn)
 
-        This function only supports the Catalyst compiler. See
-        :func:`catalyst.for_loop` for more details.
+    return _decorator
 
-        Please see the Catalyst :doc:`quickstart guide <catalyst:dev/quick_start>`,
-        as well as the :doc:`sharp bits and debugging tips <catalyst:dev/sharp_bits>`
-        page for an overview of the differences between Catalyst and PennyLane.
+
+class WhileLoopCallable:  # pylint:disable=too-few-public-methods
+    """Base class to represent a while loop. This class
+    when called with an initial state will execute the while
+    loop via the Python interpreter.
+
+    Args:
+        cond_fn (Callable): the condition function in the while loop
+        body_fn (Callable): the function that is executed within the while loop
+    """
+
+    def __init__(self, cond_fn, body_fn):
+        self.cond_fn = cond_fn
+        self.body_fn = body_fn
+
+    def __call__(self, *init_state):
+        args = init_state
+        fn_res = args if len(args) > 1 else args[0] if len(args) == 1 else None
+
+        while self.cond_fn(*args):
+            fn_res = self.body_fn(*args)
+            args = fn_res if len(args) > 1 else (fn_res,) if len(args) == 1 else ()
+
+        return fn_res
+
+
+def for_loop(lower_bound, upper_bound, step):
+    """A :func:`~.qjit` compatible for-loop for PennyLane programs. When
+    used without :func:`~.qjit`, this function will fall back to a standard
+    Python for loop.
 
     This decorator provides a functional version of the traditional
     for-loop, similar to `jax.cond.fori_loop <https://jax.readthedocs.io/en/latest/_autosummary/jax.lax.fori_loop.html>`__.
@@ -430,19 +465,14 @@ def for_loop(lower_bound, upper_bound, step, loop_fn, *args):
         across iterations is handled automatically by the provided loop bounds, it must not be
         returned from the function.
 
-    Raises:
-        CompileError: if the compiler is not installed
-
     .. seealso:: :func:`~.while_loop`, :func:`~.qjit`
 
     **Example**
 
-
     .. code-block:: python
 
         dev = qml.device("lightning.qubit", wires=1)
 
-        @qml.qjit
         @qml.qnode(dev)
         def circuit(n: int, x: float):
 
@@ -457,15 +487,84 @@ def loop_rx(i, x):
             # apply the for loop
             final_x = loop_rx(x)
 
-            return qml.expval(qml.Z(0)), final_x
+            return qml.expval(qml.Z(0))
 
     >>> circuit(7, 1.6)
-    (array(0.97926626), array(0.55395718))
+    array(0.97926626)
+
+    ``for_loop`` is also :func:`~.qjit` compatible; when used with the
+    :func:`~.qjit` decorator, the for loop will not be unrolled, and instead
+    will be captured as-is during compilation and executed during runtime:
+
+    >>> qml.qjit(circuit)(7, 1.6)
+    Array(0.97926626, dtype=float64)
+
+    .. note::
+
+        Please see the Catalyst :doc:`quickstart guide <catalyst:dev/quick_start>`,
+        as well as the :doc:`sharp bits and debugging tips <catalyst:dev/sharp_bits>`
+        page for an overview of using quantum just-in-time compilation.
+
     """
 
     if active_jit := active_compiler():
         compilers = AvailableCompilers.names_entrypoints
         ops_loader = compilers[active_jit]["ops"].load()
         return ops_loader.for_loop(lower_bound, upper_bound, step)
 
-    raise CompileError("There is no active compiler package.")  # pragma: no cover
+    # if there is no active compiler, simply interpret the for loop
+    # via the Python interpretor.
+    def _decorator(body_fn):
+        """Transform that will call the input ``body_fn`` within a for loop defined by the closure variables lower_bound, upper_bound, and step.
+
+        Args:
+            body_fn (Callable): The function called within the for loop. Note that the loop body
+                function must always have the iteration index as its first
+                argument, which can be used arbitrarily inside the loop body. As the value of the index
+                across iterations is handled automatically by the provided loop bounds, it must not be
+                returned from the function.
+
+        Closure Variables:
+            lower_bound (int): starting value of the iteration index
+            upper_bound (int): (exclusive) upper bound of the iteration index
+            step (int): increment applied to the iteration index at the end of each iteration
+
+        Returns:
+            Callable: a callable with the same signature as ``body_fn``
+        """
+        return ForLoopCallable(lower_bound, upper_bound, step, body_fn)
+
+    return _decorator
+
+
+class ForLoopCallable:  # pylint:disable=too-few-public-methods
+    """Base class to represent a for loop. This class
+    when called with an initial state will execute the while
+    loop via the Python interpreter.
+
+    Args:
+        lower_bound (int): starting value of the iteration index
+        upper_bound (int): (exclusive) upper bound of the iteration index
+        step (int): increment applied to the iteration index at the end of each iteration
+        body_fn (Callable): The function called within the for loop. Note that the loop body
+            function must always have the iteration index as its first
+            argument, which can be used arbitrarily inside the loop body. As the value of the index
+            across iterations is handled automatically by the provided loop bounds, it must not be
+            returned from the function.
+    """
+
+    def __init__(self, lower_bound, upper_bound, step, body_fn):
+        self.lower_bound = lower_bound
+        self.upper_bound = upper_bound
+        self.step = step
+        self.body_fn = body_fn
+
+    def __call__(self, *init_state):
+        args = init_state
+        fn_res = args if len(args) > 1 else args[0] if len(args) == 1 else None
+
+        for i in range(self.lower_bound, self.upper_bound, self.step):
+            fn_res = self.body_fn(i, *args)
+            args = fn_res if len(args) > 1 else (fn_res,) if len(args) == 1 else ()
+
+        return fn_res

tests/test_compiler.py

@@ -353,6 +353,45 @@ def inner(j):
         assert circuit(5, 6) == 30  # 5 * 6
         assert circuit(4, 7) == 28  # 4 * 7
 
+    def test_while_loop_python_fallback(self):
+        """Test that qml.while_loop fallsback to
+        Python without qjit"""
+
+        def f(n, m):
+            @qml.while_loop(lambda i, _: i < n)
+            def outer(i, sm):
+                @qml.while_loop(lambda j: j < m)
+                def inner(j):
+                    return j + 1
+
+                return i + 1, sm + inner(0)
+
+            return outer(0, 0)[1]
+
+        assert f(5, 6) == 30  # 5 * 6
+        assert f(4, 7) == 28  # 4 * 7
+
+    def test_fallback_while_loop_qnode(self):
+        """Test that qml.while_loop inside a qnode fallsback to
+        Python without qjit"""
+        dev = qml.device("lightning.qubit", wires=1)
+
+        @qml.qnode(dev)
+        def circuit(n):
+            @qml.while_loop(lambda v: v[0] < v[1])
+            def loop(v):
+                qml.PauliX(wires=0)
+                return v[0] + 1, v[1]
+
+            loop((0, n))
+            return qml.expval(qml.PauliZ(0))
+
+        assert jnp.allclose(circuit(1), -1.0)
+
+        res = circuit.tape.operations
+        expected = [qml.PauliX(0) for i in range(4)]
+        _ = [qml.assert_equal(i, j) for i, j in zip(res, expected)]
+
     def test_dynamic_wires_for_loops(self):
         """Test for loops with iteration index-dependant wires."""
         dev = qml.device("lightning.qubit", wires=6)
@@ -405,6 +444,57 @@ def inner(j):
 
         assert jnp.allclose(circuit(4), jnp.eye(2**4)[0])
 
+    def test_for_loop_python_fallback(self):
+        """Test that qml.for_loop fallsback to Python
+        interpretation if Catalyst is not available"""
+        dev = qml.device("lightning.qubit", wires=3)
+
+        @qml.qnode(dev)
+        def circuit(x, n):
+
+            # for loop with dynamic bounds
+            @qml.for_loop(0, n, 1)
+            def loop_fn(i):
+                qml.Hadamard(wires=i)
+
+            # nested for loops.
+            # outer for loop updates x
+            @qml.for_loop(0, n, 1)
+            def loop_fn_returns(i, x):
+                qml.RX(x, wires=i)
+
+                # inner for loop
+                @qml.for_loop(i + 1, n, 1)
+                def inner(j):
+                    qml.CRY(x**2, [i, j])
+
+                inner()
+
+                return x + 0.1
+
+            loop_fn()
+            loop_fn_returns(x)
+
+            return qml.expval(qml.PauliZ(0))
+
+        x = 0.5
+        assert jnp.allclose(circuit(x, 3), qml.qjit(circuit)(x, 3))
+
+        res = circuit.tape.operations
+        expected = [
+            qml.Hadamard(wires=[0]),
+            qml.Hadamard(wires=[1]),
+            qml.Hadamard(wires=[2]),
+            qml.RX(0.5, wires=[0]),
+            qml.CRY(0.25, wires=[0, 1]),
+            qml.CRY(0.25, wires=[0, 2]),
+            qml.RX(0.6, wires=[1]),
+            qml.CRY(0.36, wires=[1, 2]),
+            qml.RX(0.7, wires=[2]),
+        ]
+
+        _ = [qml.assert_equal(i, j) for i, j in zip(res, expected)]
+
     def test_cond(self):
         """Test condition with simple true_fn"""
         dev = qml.device("lightning.qubit", wires=1)