Merge branch 'Deprecate_hamiltonian_in_PauliSentence_and_PauliWord' of …

…https://github.com/PennyLaneAI/pennylane into Deprecate_hamiltonian_in_PauliSentence_and_PauliWord

doc/releases/changelog-dev.md

@@ -74,6 +74,10 @@
 * Sets up the framework for the development of an `assert_equal` function for testing operator comparison.
   [(#5634)](https://github.com/PennyLaneAI/pennylane/pull/5634)
 
+* PennyLane operators can now automatically be captured as instructions in JAXPR. See the experimental
+  `capture` module for more information.
+  [(#5511)](https://github.com/PennyLaneAI/pennylane/pull/5511)
+
 * The `decompose` transform has an `error` kwarg to specify the type of error that should be raised, 
   allowing error types to be more consistent with the context the `decompose` function is used in.
   [(#5669)](https://github.com/PennyLaneAI/pennylane/pull/5669)
@@ -95,12 +99,19 @@
 
 <h3>Bug fixes 🐛</h3>
 
+* Use vanilla NumPy arrays in `test_projector_expectation` to avoid differentiating `qml.Projector` with respect to the state attribute.
+  [(#5683)](https://github.com/PennyLaneAI/pennylane/pull/5683)
+
+* `qml.Projector` is now compatible with jax-jit.
+  [(#5595)](https://github.com/PennyLaneAI/pennylane/pull/5595)
+
 * Finite shot circuits with a `qml.probs` measurement, both with a `wires` or `op` argument, can now be compiled with `jax.jit`.
   [(#5619)](https://github.com/PennyLaneAI/pennylane/pull/5619)
 
-* `param_shift`, `finite_diff`, `compile`, `merge_rotations`, and `transpile` now all work
-  with circuits with non-commuting measurements.
+* `param_shift`, `finite_diff`, `compile`, `insert`, `merge_rotations`, and `transpile` now
+  all work with circuits with non-commuting measurements.
   [(#5424)](https://github.com/PennyLaneAI/pennylane/pull/5424)
+  [(#5681)](https://github.com/PennyLaneAI/pennylane/pull/5681)
 
 * A correction is added to `bravyi_kitaev` to call the correct function for a FermiSentence input.
   [(#5671)](https://github.com/PennyLaneAI/pennylane/pull/5671)

pennylane/capture/__init__.py

@@ -40,5 +40,78 @@
     >>> qml.capture.enabled()
     False
 
+**Custom Operator Behaviour**
+
+Any operator that inherits from :class:`~.Operator` gains a default ability to be captured
+in a Jaxpr. Any positional argument is bound as a tracer, wires are processed out into individual tracers,
+and any keyword arguments are passed as keyword metadata.
+
+.. code-block:: python
+
+    class MyOp1(qml.operation.Operator):
+
+        def __init__(self, arg1, wires, key=None):
+            super().__init__(arg1, wires=wires)
+
+    def qfunc(a):
+        MyOp1(a, wires=(0,1), key="a")
+
+    qml.capture.enable()
+    print(jax.make_jaxpr(qfunc)(0.1))
+
+.. code-block::
+
+    { lambda ; a:f32[]. let
+        _:AbstractOperator() = MyOp1[key=a n_wires=2] a 0 1
+    in () }
+
+But an operator developer may need to override custom behavior for calling ``cls._primitive.bind``
+(where ``cls`` indicates the class) if:
+
+* The operator does not accept wires, like :class:`~.SymbolicOp` or :class:`~.CompositeOp`.
+* The operator needs to enforce a data/ metadata distinction, like :class:`~.PauliRot`.
+
+In such cases, the operator developer can override ``cls._primitive_bind_call``, which
+will be called when constructing a new class instance instead of ``type.__call__``.  For example,
+
+.. code-block:: python
+
+    class JustMetadataOp(qml.operation.Operator):
+
+        def __init__(self, metadata):
+            super().__init__(wires=[])
+            self._metadata = metadata
+
+        @classmethod
+        def _primitive_bind_call(cls, metadata):
+            return cls._primitive.bind(metadata=metadata)
+
+
+    def qfunc():
+        JustMetadataOp("Y")
+
+    qml.capture.enable()
+    print(jax.make_jaxpr(qfunc)())
+
+.. code-block::
+
+    { lambda ; . let _:AbstractOperator() = JustMetadataOp[metadata=Y]  in () }
+
+As you can see, the input ``"Y"``, while being passed as a positional argument, is converted to
+metadata within the custom ``_primitive_bind_call`` method.
+
+If needed, developers can also override the implementation method of the primitive like was done with ``Controlled``.
+``Controlled`` needs to do so to handle packing and unpacking the control wires.
+
+.. code-block:: python
+
+    class MyCustomOp(qml.operation.Operator):
+        pass
+
+    @MyCustomOp._primitive.def_impl
+    def _(*args, **kwargs):
+        return type.__call__(MyCustomOp, *args, **kwargs)
 """
 from .switches import disable, enable, enabled
+from .capture_meta import CaptureMeta
+from .primitives import create_operator_primitive

pennylane/capture/capture_meta.py

@@ -0,0 +1,46 @@
+# Copyright 2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+"""
+Defines a metaclass for automatic integration of any ``Operator`` with plxpr program capture.
+
+See ``explanations.md`` for technical explanations of how this works.
+"""
+
+from .switches import enabled
+
+
+# pylint: disable=no-self-argument, too-few-public-methods
+class CaptureMeta(type):
+    """A metatype that dispatches class creation to ``cls._primitve_bind_call`` instead
+    of normal class creation.
+
+    See ``pennylane/capture/explanations.md`` for more detailed information on how this technically
+    works.
+    """
+
+    def _primitive_bind_call(cls, *args, **kwargs):
+        raise NotImplementedError(
+            "Types using CaptureMeta must implement cls._primitive_bind_call to"
+            " gain integration with plxpr program capture."
+        )
+
+    def __call__(cls, *args, **kwargs):
+        # this method is called everytime we want to create an instance of the class.
+        # default behavior uses __new__ then __init__
+
+        if enabled():
+            # when tracing is enabled, we want to
+            # use bind to construct the class if we want class construction to add it to the jaxpr
+            return cls._primitive_bind_call(*args, **kwargs)
+        return type.__call__(cls, *args, **kwargs)

pennylane/capture/explanations.md

@@ -0,0 +1,237 @@
+This documentation explains the principles behind `qml.capture.CaptureMeta`.
+
+
+```python
+import jax
+```
+
+# Primitive basics
+
+
+```python
+my_func_prim = jax.core.Primitive("my_func")
+
+@my_func_prim.def_impl
+def _(x):
+    return x**2
+
+@my_func_prim.def_abstract_eval
+def _(x):
+    return jax.core.ShapedArray((1,), x.dtype)
+
+def my_func(x):
+    return my_func_prim.bind(x)
+```
+
+
+```python
+>>> jaxpr = jax.make_jaxpr(my_func)(0.1)
+>>> jaxpr
+{ lambda ; a:f32[]. let b:f32[1] = my_func a in (b,) }
+>>> jaxpr.jaxpr.eqns
+[a:f32[1] = my_func b]
+```
+
+## Metaprogramming
+
+
+```python
+class MyMetaClass(type):
+
+    def __init__(cls, *args, **kwargs):
+        print(f"Creating a new type {cls} with {args}, {kwargs}. ")
+
+        # giving every class a property
+        cls.a = "a"
+
+    def __call__(cls, *args, **kwargs):
+        print(f"creating an instance of type {cls} with {args}, {kwargs}. ")
+        inst = cls.__new__(cls, *args, **kwargs)
+        inst.__init__(*args, **kwargs)
+        return inst
+```
+
+Now let's define a class with this meta class.
+
+You can see that when we *define* the class, we have called `MyMetaClass.__init__` to create the new type
+
+
+```python
+class MyClass(metaclass=MyMetaClass):
+
+    def __init__(self, *args, **kwargs):
+        print("now creating an instance in __init__")
+        self.args = args
+        self.kwargs = kwargs
+```
+
+    Creating a new type <class '__main__.MyClass'> with ('MyClass', (), {'__module__': '__main__', '__qualname__': 'MyClass', '__init__': <function MyClass.__init__ at 0x11c59cae0>}), {}. 
+
+
+And that we have set a class property `a`
+
+
+```python
+>>> MyClass.a
+'a'
+```
+
+But can we actually create instances of these classes?
+
+
+```python
+>> obj = MyClass(0.1, a=2)
+>>> obj
+creating an instance of type <class '__main__.MyClass'> with (0.1,), {'a': 2}. 
+now creating an instance in __init__
+<__main__.MyClass at 0x11c5a2810>
+```
+
+
+So far, we've just added print statements around default behavior.  Let's try something more radical
+
+
+```python
+class MetaClass2(type):
+
+    def __call__(cls, *args, **kwargs):
+        return 2.0
+
+class MyClass2(metaclass=MetaClass2):
+
+    def __init__(self, *args, **kwargs):
+        print("Am I here?")
+        self.args = args
+```
+
+You can see now that instead of actually getting an instance of `MyClass2`, we just get `2.0`. 
+
+Using a metaclass, we can hijack what happens when a type is called.
+
+
+```python
+>>> out = MyClass2(1.0)
+>>> out, out == 2.0
+(2.0, True)
+```
+
+## Putting Primitives and Metaprogramming together
+
+We have two goals that we need to accomplish with our meta class.
+
+1. Create an associated primitive every time we define a new class type
+2. Hijack creating a new instance to use `primitive.bind` instead
+
+
+```python
+class PrimitiveMeta(type):
+
+    def __init__(cls, *args, **kwargs):
+        # here we set up the primitive
+        primitive = jax.core.Primitive(cls.__name__)
+
+        @primitive.def_impl
+        def _(*inner_args, **inner_kwargs):
+            # just normal class creation if not tracing
+            return type.__call__(cls, *inner_args, **inner_kwargs)
+
+        @primitive.def_abstract_eval
+        def _(*inner_args, **inner_kwargs):
+            # here we say that we just return an array of type float32 and shape (1,)
+            # other abstract types could be used instead
+            return jax.core.ShapedArray((1,), jax.numpy.float32)
+
+        cls._primitive = primitive
+
+    def __call__(cls, *args, **kwargs):
+        return cls._primitive.bind(*args, **kwargs)
+```
+
+
+```python
+class PrimitiveClass(metaclass=PrimitiveMeta):
+
+    def __init__(self, a):
+        self.a = a
+
+    def __repr__(self):
+        return f"PrimitiveClass({self.a})"
+```
+
+What happens if we just create a class normally as is?
+
+
+```python
+>>> PrimitiveClass(1.0)
+PrimitiveClass(1.0)
+```
+
+But now it can also be used in tracing as well
+
+
+```python
+>>> jax.make_jaxpr(PrimitiveClass)(1.0)
+{ lambda ; a:f32[]. let b:f32[1] = PrimitiveClass a in (b,) }
+```
+
+Great!👍
+
+Now you can see that the problem is that we lied in our definition of abstract evaluation.  Jax thinks that `PrimitiveClass` returns something of shape `(1,)` and type `float32`.
+
+But jax doesn't have an abstract type that really describes "PrimitiveClass".  So we need to define an register our own.
+
+
+```python
+class AbstractPrimitiveClass(jax.core.AbstractValue):
+
+    def __eq__(self, other):
+        return isinstance(other, AbstractPrimitiveClass)
+
+    def __hash__(self):
+        return hash("AbstractPrimitiveClass")
+
+jax.core.raise_to_shaped_mappings[AbstractPrimitiveClass] = lambda aval, _: aval
+```
+
+Now we can redefine our class to use this abstract class
+
+
+```python
+class PrimitiveMeta2(type):
+
+    def __init__(cls, *args, **kwargs):
+        # here we set up the primitive
+        primitive = jax.core.Primitive(cls.__name__)
+
+        @primitive.def_impl
+        def _(*inner_args, **inner_kwargs):
+            # just normal class creation if not tracing
+            return type.__call__(cls, *inner_args, **inner_kwargs)
+
+        @primitive.def_abstract_eval
+        def _(*inner_args, **inner_kwargs):
+            # here we say that we just return an array of type float32 and shape (1,)
+            # other abstract types could be used instead
+            return AbstractPrimitiveClass()
+
+        cls._primitive = primitive
+
+    def __call__(cls, *args, **kwargs):
+        return cls._primitive.bind(*args, **kwargs)
+
+class PrimitiveClass2(metaclass=PrimitiveMeta2):
+
+    def __init__(self, a):
+        self.a = a
+
+    def __repr__(self):
+        return f"PrimitiveClass({self.a})"
+```
+
+Now in our jaxpr, we can see thet `PrimitiveClass2` returns something of type `AbstractPrimitiveClass`.
+
+
+```python
+>>> jax.make_jaxpr(PrimitiveClass2)(0.1)
+{ lambda ; a:f32[]. let b:AbstractPrimitiveClass() = PrimitiveClass2 a in (b,) }
+```