Reduce overhead of Function call

pytensor/compile/function/types.py

@@ -393,6 +393,8 @@ def __init__(
         assert len(self.input_storage) == len(self.maker.fgraph.inputs)
         assert len(self.output_storage) == len(self.maker.fgraph.outputs)
 
+        self.has_defaults = any(refeed for _, refeed, _ in self.defaults)
+
         # Group indexes of inputs that are potentially aliased to each other
         # Note: Historically, we only worried about aliasing inputs if they belonged to the same type,
         #  even though there could be two distinct types that use the same kinds of underlying objects.
@@ -540,14 +542,40 @@ def __contains__(self, item):
         self._value = ValueAttribute()
         self._container = ContainerAttribute()
 
-        # TODO: Get rid of all this `expanded_inputs` nonsense
-        assert len(self.maker.expanded_inputs) == len(self.input_storage)
+        update_storage = [
+            container
+            for inp, container in zip(
+                self.maker.expanded_inputs, input_storage, strict=True
+            )
+            if inp.update is not None
+        ]
+        # Updates are the last inner outputs that are not returned by Function.__call__
+        self.n_returned_outputs = len(self.output_storage) - len(update_storage)
+
+        # Function.__call__ is responsible for updating the inputs, unless the vm promises to do it itself
+        self.update_input_storage: tuple[int, Container] = ()
+        if getattr(vm, "need_update_inputs", True):
+            self.update_input_storage = tuple(
+                zip(
+                    range(self.n_returned_outputs, len(output_storage)),
+                    update_storage,
+                    strict=True,
+                )
+            )
 
-        # This is used only when `vm.need_update_inputs` is `False`, because
-        # we're using one of the VM objects and it is putting updates back into
-        # the input containers all by itself.
-        self.n_returned_outputs = len(self.output_storage) - sum(
-            inp.update is not None for inp in self.maker.expanded_inputs
+        # In every function call we place inputs in the input_storage, and the vm places outputs in the output_storage
+        # After the call, we want to erase (some of) these references, to allow Python to GC them if unused
+        # Required input containers are the non-default inputs, must always be provided again, so we GC them
+        self.clear_input_storage_data = tuple(
+            container.storage for container in input_storage if container.required
+        )
+        # This is only done when `vm.allow_gc` is True, which can change at runtime.
+        self.clear_output_storage_data = tuple(
+            container.storage
+            for container, variable in zip(
+                self.output_storage, self.maker.fgraph.outputs, strict=True
+            )
+            if variable.owner is not None  # Not a constant output
         )
 
         for node in self.maker.fgraph.apply_nodes:
@@ -747,7 +775,7 @@ def checkSV(sv_ori, sv_rpl):
         elif isinstance(profile, str):
             profile = pytensor.compile.profiling.ProfileStats(message=profile)
 
-        f_cpy = maker.__class__(
+        f_cpy = type(maker)(
             inputs=ins,
             outputs=outs,
             fgraph=fg_cpy,
@@ -765,6 +793,8 @@ def checkSV(sv_ori, sv_rpl):
             # check that.
             accept_inplace=True,
             no_fgraph_prep=True,
+            output_keys=maker.output_keys,
+            name=name,
         ).create(input_storage, storage_map=new_storage_map)
 
         for in_ori, in_cpy, ori, cpy in zip(
@@ -797,8 +827,6 @@ def checkSV(sv_ori, sv_rpl):
 
         f_cpy.trust_input = self.trust_input
         f_cpy.unpack_single = self.unpack_single
-        f_cpy.name = name
-        f_cpy.maker.fgraph.name = name
         return f_cpy
 
     def _restore_defaults(self):
@@ -808,7 +836,7 @@ def _restore_defaults(self):
                     value = value.storage[0]
                 self[i] = value
 
-    def __call__(self, *args, **kwargs):
+    def __call__(self, *args, output_subset=None, **kwargs):
         """
         Evaluates value of a function on given arguments.
 
@@ -836,20 +864,21 @@ def __call__(self, *args, **kwargs):
             List of outputs on indices/keys from ``output_subset`` or all of them,
             if ``output_subset`` is not passed.
         """
+        trust_input = self.trust_input
         input_storage = self.input_storage
+        vm = self.vm
         profile = self.profile
 
         if profile:
             t0 = time.perf_counter()
 
-        output_subset = kwargs.pop("output_subset", None)
         if output_subset is not None:
             warnings.warn("output_subset is deprecated.", FutureWarning)
             if self.output_keys is not None:
                 output_subset = [self.output_keys.index(key) for key in output_subset]
 
         # Reinitialize each container's 'provided' counter
-        if self.trust_input:
+        if trust_input:
             for arg_container, arg in zip(input_storage, args, strict=False):
                 arg_container.storage[0] = arg
         else:
@@ -908,7 +937,7 @@ def __call__(self, *args, **kwargs):
             for k, arg in kwargs.items():
                 self[k] = arg
 
-        if not self.trust_input:
+        if not trust_input:
             # Collect aliased inputs among the storage space
             for potential_group in self._potential_aliased_input_groups:
                 args_share_memory: list[list[int]] = []
@@ -960,11 +989,7 @@ def __call__(self, *args, **kwargs):
         if profile:
             t0_fn = time.perf_counter()
         try:
-            outputs = (
-                self.vm()
-                if output_subset is None
-                else self.vm(output_subset=output_subset)
-            )
+            outputs = vm() if output_subset is None else vm(output_subset=output_subset)
         except Exception:
             self._restore_defaults()
             if hasattr(self.vm, "position_of_error"):
@@ -991,73 +1016,53 @@ def __call__(self, *args, **kwargs):
 
         # Retrieve the values that were computed
         if outputs is None:
-            outputs = [x.data for x in self.output_storage]
-
-        # Remove internal references to required inputs.
-        # These cannot be re-used anyway.
-        for arg_container in input_storage:
-            if arg_container.required:
-                arg_container.storage[0] = None
-
-        # if we are allowing garbage collection, remove the
-        # output reference from the internal storage cells
-        if getattr(self.vm, "allow_gc", False):
-            # strict=False because we are in a hot loop
-            for o_container, o_variable in zip(
-                self.output_storage, self.maker.fgraph.outputs, strict=False
-            ):
-                if o_variable.owner is not None:
-                    # this node is the variable of computation
-                    # WARNING: This circumvents the 'readonly' attribute in x
-                    o_container.storage[0] = None
-
-        if getattr(self.vm, "need_update_inputs", True):
-            # Update the inputs that have an update function
-            # strict=False because we are in a hot loop
-            for input, storage in reversed(
-                list(zip(self.maker.expanded_inputs, input_storage, strict=False))
-            ):
-                if input.update is not None:
-                    storage.data = outputs.pop()
-        else:
-            outputs = outputs[: self.n_returned_outputs]
+            outputs = [x.storage[0] for x in self.output_storage]
+
+        # Set updates and filter them out from the returned outputs
+        for i, input_storage in self.update_input_storage:
+            input_storage.storage[0] = outputs[i]
+        outputs = outputs[: self.n_returned_outputs]
+
+        # Remove input and output values from storage data
+        for storage_data in self.clear_input_storage_data:
+            storage_data[0] = None
+        if getattr(vm, "allow_gc", False):
+            for storage_data in self.clear_output_storage_data:
+                storage_data[0] = None
 
         # Put default values back in the storage
-        self._restore_defaults()
+        if self.has_defaults:
+            self._restore_defaults()
 
         if profile:
             dt_call = time.perf_counter() - t0
             pytensor.compile.profiling.total_fct_exec_time += dt_call
             self.maker.mode.call_time += dt_call
             profile.fct_callcount += 1
             profile.fct_call_time += dt_call
-            if hasattr(self.vm, "update_profile"):
-                self.vm.update_profile(profile)
+            if hasattr(vm, "update_profile"):
+                vm.update_profile(profile)
             if profile.ignore_first_call:
                 profile.reset()
                 profile.ignore_first_call = False
 
         if self.return_none:
             return None
-        elif self.unpack_single and len(outputs) == 1 and output_subset is None:
-            return outputs[0]
-        else:
-            if self.output_keys is not None:
-                assert len(self.output_keys) == len(outputs)
 
-                if output_subset is None:
-                    # strict=False because we are in a hot loop
-                    return dict(zip(self.output_keys, outputs, strict=False))
-                else:
-                    return {
-                        self.output_keys[index]: outputs[index]
-                        for index in output_subset
-                    }
+        if output_subset is not None:
+            outputs = [outputs[i] for i in output_subset]
 
-            if output_subset is None:
-                return outputs
+        if self.output_keys is None:
+            if self.unpack_single:
+                [out] = outputs
+                return out
             else:
-                return [outputs[i] for i in output_subset]
+                return outputs
+        else:
+            output_keys = self.output_keys
+            if output_subset is not None:
+                output_keys = [output_keys[i] for i in output_subset]
+            return dict(zip(output_keys, outputs, strict=True))
 
     value = property(
         lambda self: self._value,
@@ -1077,9 +1082,10 @@ def free(self):
         # 1.no allow_gc return False
         # 2.has allow_gc, if allow_gc is False, return True
         if not getattr(self.vm, "allow_gc", True):
-            for key in self.vm.storage_map:
-                if not isinstance(key, Constant):
-                    self.vm.storage_map[key][0] = None
+            storage_map = self.vm.storage_map
+            for key, value in storage_map.items():
+                if key.owner is not None:  # Not a constant
+                    value[0] = None
 
             for node in self.nodes_with_inner_function:
                 if hasattr(node.fn, "free"):
@@ -1091,10 +1097,6 @@ def get_shared(self):
         """
         return [i.variable for i in self.maker.inputs if i.implicit]
 
-    def sync_shared(self):
-        # NOTE: sync was needed on old gpu backend
-        pass
-
     def dprint(self, **kwargs):
         """Debug print itself