Implement Scan value transforms

Author: ricardoV94

pymc/logprob/scan.py

@@ -459,8 +459,6 @@ def find_measurable_scans(fgraph, node):
 
             # We're going to set those values on our `new_val_var` so that it can
             # serve as a complete replacement for the old input `outer_input_var`.
-            # from pytensor.graph import clone_replace
-            #
             new_val_var = outer_input_var.owner.clone_with_new_inputs(
                 [new_val_var] + outer_input_var.owner.inputs[1:]
             ).default_output()

pymc/logprob/transforms.py

@@ -42,12 +42,13 @@
 import pytensor.tensor as at
 
 from pytensor.gradient import DisconnectedType, jacobian
-from pytensor.graph.basic import Apply, Node, Variable
+from pytensor.graph.basic import Apply, Node, Variable, clone_replace
 from pytensor.graph.features import AlreadyThere, Feature
 from pytensor.graph.fg import FunctionGraph
 from pytensor.graph.op import Op
 from pytensor.graph.rewriting.basic import GraphRewriter, in2out, node_rewriter
 from pytensor.scalar import Add, Exp, Log, Mul
+from pytensor.scan.op import Scan
 from pytensor.tensor.math import add, exp, log, mul
 from pytensor.tensor.rewriting.basic import (
     register_specialize,
@@ -186,11 +187,94 @@ def transform_values(fgraph: FunctionGraph, node: Node) -> Optional[List[Node]]:
     return trans_node.outputs
 
 
+@node_rewriter(tracks=[Scan])
+def transform_scan_values(fgraph: FunctionGraph, node: Node) -> Optional[List[Node]]:
+    """Apply transforms to Scan value variables.
+
+    This specialized rewrite is needed because Scan replaces the original value variables
+    by a more complex graph. We want to apply the transform to the original value variable
+    in this subgraph, leaving the rest intact
+    """
+
+    rv_map_feature: Optional[PreserveRVMappings] = getattr(fgraph, "preserve_rv_mappings", None)
+    values_to_transforms: Optional[TransformValuesMapping] = getattr(
+        fgraph, "values_to_transforms", None
+    )
+
+    if rv_map_feature is None or values_to_transforms is None:
+        return None  # pragma: no cover
+
+    rv_vars = []
+    value_vars = []
+
+    for out in node.outputs:
+        value = rv_map_feature.rv_values.get(out, None)
+        if value is None:
+            continue
+        rv_vars.append(out)
+        value_vars.append(value)
+
+    if not value_vars:
+        return None
+
+    transforms = [
+        values_to_transforms.get(rv_map_feature.original_values[value], None)
+        for value_var in value_vars
+    ]
+
+    if all(transform is None for transform in transforms):
+        return None
+
+    new_op = _create_transformed_rv_op(node.op, transforms)
+    trans_node = node.clone()
+    trans_node.op = new_op
+
+    # We now assume that the old value variable represents the *transformed space*.
+    # This means that we need to replace all instance of the old value variable
+    # with "inversely/un-" transformed versions of itself.
+    for rv_var, value_var, transform in zip(rv_vars, value_vars, transforms):
+        rv_var_out_idx = node.outputs.index(rv_var)
+        trans_node.outputs[rv_var_out_idx].name = rv_var.name
+
+        if transform is None:
+            continue
+
+        # We access the original value variable and apply the transform to that
+        original_value_var = rv_map_feature.original_values[value_var]
+        trans_original_value_var = transform.backward(original_value_var, *trans_node.inputs)
+
+        # We then replace the reference to the original value variable in the scan value
+        # variable by the back-transform projection computed above
+
+        # The first input corresponds to the original value variable. We are careful to
+        # only clone_replace that part of the graph, as we don't want to break the
+        # mappings between other rvs that are likely to be present in the rest of the
+        # scan value variable graph
+        # TODO: Is it true that the original value only appears in the first input
+        #  and that no other RV can appear there?
+        (trans_original_value_var,) = clone_replace(
+            (value_var.owner.inputs[0],),
+            replace={original_value_var: trans_original_value_var},
+        )
+        trans_value_var = value_var.owner.clone_with_new_inputs(
+            inputs=[trans_original_value_var] + value_var.owner.inputs[1:]
+        ).default_output()
+
+        new_value_var = transformed_variable(trans_value_var, original_value_var)
+
+        if value_var.name and getattr(transform, "name", None):
+            new_value_var.name = f"{value_var.name}_{transform.name}"
+
+        rv_map_feature.update_rv_maps(rv_var, new_value_var, trans_node.outputs[rv_var_out_idx])
+
+    return trans_node.outputs
+
+
 class TransformValuesMapping(Feature):
     r"""A `Feature` that maintains a map between value variables and their transforms."""
 
     def __init__(self, values_to_transforms):
-        self.values_to_transforms = values_to_transforms
+        self.values_to_transforms = values_to_transforms.copy()
 
     def on_attach(self, fgraph):
         if hasattr(fgraph, "values_to_transforms"):
@@ -203,6 +287,7 @@ class TransformValuesRewrite(GraphRewriter):
     r"""Transforms value variables according to a map."""
 
     transform_rewrite = in2out(transform_values, ignore_newtrees=True)
+    scan_transform_rewrite = in2out(transform_scan_values, ignore_newtrees=True)
 
     def __init__(
         self,
@@ -226,7 +311,8 @@ def add_requirements(self, fgraph):
         fgraph.attach_feature(values_transforms_feature)
 
     def apply(self, fgraph: FunctionGraph):
-        return self.transform_rewrite.rewrite(fgraph)
+        self.transform_rewrite.rewrite(fgraph)
+        self.scan_transform_rewrite.rewrite(fgraph)
 
 
 class MeasurableTransform(MeasurableElemwise):

pymc/tests/logprob/test_transforms.py

@@ -45,6 +45,7 @@
 from pytensor.compile.builders import OpFromGraph
 from pytensor.graph.basic import equal_computations
 from pytensor.graph.fg import FunctionGraph
+from pytensor.scan import scan
 
 from pymc.distributions.transforms import _default_transform, log, logodds
 from pymc.logprob.abstract import MeasurableVariable, _get_measurable_outputs, _logprob
@@ -781,3 +782,56 @@ def test_invalid_broadcasted_transform_rv_fails():
     logp = joint_logprob({y_rv: y_vv})
     logp.eval({y_vv: [0, 0, 0, 0], loc: [0, 0, 0, 0]})
     assert False, "Should have failed before"
+
+
+def test_scan_transform():
+    """Test that Scan valued variables can be transformed"""
+
+    init = at.random.beta(1, 1, name="init")
+    init_vv = init.clone()
+
+    innov, _ = scan(
+        fn=lambda prev_innov: at.random.beta(prev_innov * 10, (1 - prev_innov) * 10),
+        outputs_info=[init],
+        n_steps=4,
+    )
+    innov.name = "innov"
+    innov_vv = innov.clone()
+
+    tr = TransformValuesRewrite(
+        {
+            init_vv: LogOddsTransform(),
+            innov_vv: LogOddsTransform(),
+        }
+    )
+    logp = factorized_joint_logprob(
+        {init: init_vv, innov: innov_vv}, extra_rewrites=tr, use_jacobian=True
+    )[innov_vv]
+    logp_fn = pytensor.function([init_vv, innov_vv], logp, on_unused_input="ignore")
+
+    # Create an unrolled scan graph as reference
+    innov = []
+    prev_innov = init
+    for i in range(4):
+        next_innov = at.random.beta(prev_innov * 10, (1 - prev_innov) * 10, name=f"innov[i]")
+        innov.append(next_innov)
+        prev_innov = next_innov
+    innov = at.stack(innov)
+    innov.name = "innov"
+
+    tr = TransformValuesRewrite(
+        {
+            init_vv: LogOddsTransform(),
+            innov_vv: LogOddsTransform(),
+        }
+    )
+    ref_logp = factorized_joint_logprob(
+        {init: init_vv, innov: innov_vv}, extra_rewrites=tr, use_jacobian=True
+    )[innov_vv]
+    ref_logp_fn = pytensor.function([init_vv, innov_vv], ref_logp, on_unused_input="ignore")
+
+    test_point = {
+        "init": np.array(-0.5),
+        "innov": np.full((4,), -0.5),
+    }
+    np.testing.assert_allclose(logp_fn(**test_point), ref_logp_fn(**test_point))