Generalize lift of Subtensor over Elemwise

Split off Subtensor of Unbroadcast into its own rewrite

Author: ricardoV94

pytensor/tensor/rewriting/subtensor_lift.py

@@ -108,73 +108,79 @@ def local_subtensor_of_dot(fgraph, node):
     return [r]
 
 
-# fast_compile to allow opt subtensor(cast{float32}(make_vector))
-@register_canonicalize("fast_compile")
+@register_canonicalize("shape_unsafe")
+@register_specialize("shape_unsafe")
 @node_rewriter([Subtensor])
-def local_subtensor_lift(fgraph, node):
+def local_subtensor_of_elemwise(fgraph, node):
+    """Lift a Subtensor through an Elemwise and its implicit broadcasting behavior.
+
+    exp(x)[:, 0] -> exp(x[:, 0])
+    add(x, y)[0] -> add(x[0], y[0])
+    add(x[None], y)[2] -> add(x, y[2])
     """
-    unary(x)[idx] -> unary(x[idx])#any broadcast pattern.
+    elem, *idx = node.inputs
 
-    Handles the following unary ops:
-    elemwise(x,...)[idx] -> elemwise(x[idx],...)
-      when x,... are broadcasted scalar or not broadcasted at all
+    if not (elem.owner and isinstance(elem.owner.op, Elemwise)):
+        return None
 
-    """
-    if isinstance(node.op, Subtensor):
-        u = node.inputs[0]
-        if u.owner is None or len(fgraph.clients[u]) > 1:
-            return False
-
-        if isinstance(u.owner.op, Elemwise) and len(u.owner.inputs) == 1:
-            idx = node.inputs[1:]
-            x_idx = node.op(u.owner.inputs[0], *idx)
-            # Copy over previous output stacktrace
-            copy_stack_trace(node.outputs, x_idx)
-            ret = u.owner.op(x_idx)
-            # Copy over previous output stacktrace
-            # and stacktrace from previous unary operation
-            copy_stack_trace([node.outputs[0], node.inputs[0]], ret)
-            return [ret]
+    if len(fgraph.clients[elem]) > 1:
+        # Elemwise output is used beyond the Subtensor.
+        # Get out to avoid repeated computations
+        return None
 
-        if isinstance(u.owner.op, Elemwise):
-            new_inputs = []
-            if all(sum(i.type.broadcastable) == 0 for i in u.owner.inputs):
-                # There is no broadcastable in the inputs
-                idx = node.inputs[1:]
-                new_inputs = [node.op(i, *idx) for i in u.owner.inputs]
-                # Copy over previous output stacktrace
-                copy_stack_trace(node.outputs[0], new_inputs)
-
-                ret = u.owner.op(*new_inputs)
-                # Copy over previous output stacktrace
-                # and stacktrace from previous unary operation
-                copy_stack_trace([node.outputs[0], node.inputs[0]], ret)
-                return [ret]
-            elif all(sum(i.type.broadcastable) in [i.ndim, 0] for i in u.owner.inputs):
-                # There is no broadcastable in the inputs or it is scalar
-                idx = node.inputs[1:]
-                new_inputs = []
-                for i in u.owner.inputs:
-                    if sum(i.type.broadcastable) == 0:
-                        new_inputs.append(node.op(i, *idx))
-                    else:
-                        # If the subtensor remove some dims, we must
-                        # lower the number of dimensions of this scalar.
-                        if node.outputs[0].ndim == i.ndim:
-                            new_inputs.append(i)
-                        else:
-                            new_inputs.append(
-                                i.dimshuffle(["x"] * node.outputs[0].ndim)
-                            )
-
-                # Copy over previous output stacktrace
-                copy_stack_trace(node.outputs[0], new_inputs)
-
-                ret = u.owner.op(*new_inputs)
-                # Copy over previous output stacktrace
-                # and stacktrace from previous unary operation
-                copy_stack_trace([node.outputs[0], node.inputs[0]], ret)
-                return [ret]
+    idx_tuple = indices_from_subtensor(idx, node.op.idx_list)
+
+    elem_inputs = elem.owner.inputs
+    elem_bcast = elem.type.broadcastable
+    if all(inp.type.broadcastable == elem_bcast for inp in elem_inputs):
+        # No need to worry about implicit broadcasting.
+        indexed_inputs = [inp[idx_tuple] for inp in elem_inputs]
+
+    else:
+        # The original indices may not make sense on some of the broadcasted dimensions
+        new_idxs = [list(idx_tuple) for _ in elem_inputs]
+        for dim, (dim_idx, dim_bcast_out, *dim_bcast_inputs) in enumerate(
+            zip(
+                idx_tuple,
+                elem_bcast,
+                *(inp.type.broadcastable for inp in elem_inputs),
+                # Indices can be shorter than input ndims
+                strict=False,
+            )
+        ):
+            if is_full_slice(dim_idx):
+                # Full slice can be safely applied to all inputs
+                continue
+
+            if all(dim_bcast_inp == elem_bcast for dim_bcast_inp in dim_bcast_inputs):
+                # This dim is not broadcasted for any of the inputs, original index can be applied to all inputs
+                continue
+
+            # Some dims are broadcasted, so we need to adapt their indices
+            # Slice indexing keeps the dimension, so we use a full slice for broadcasted inputs
+            # Integer indexing drops the dimension, so we index by zero for the broadcsated inputs
+            safe_bcast_dim_idx = slice(None) if isinstance(dim_idx, slice) else 0
+            for inp_idx, dim_bcast_inp in zip(new_idxs, dim_bcast_inputs, strict=True):
+                if dim_bcast_inp:
+                    inp_idx[dim] = safe_bcast_dim_idx
+
+        indexed_inputs = [
+            inp[tuple(new_idx)]
+            for inp, new_idx in zip(elem_inputs, new_idxs, strict=True)
+        ]
+
+    [old_out] = node.outputs
+
+    # Copy stack trace to new inputs
+    [copy_stack_trace(old_out, new_inp) for new_inp in indexed_inputs]
+
+    # Define elemwise operation on indexed inputs
+    new_out = elem.owner.op(*indexed_inputs)
+
+    # Copy stack trace to new output
+    copy_stack_trace([old_out, *node.inputs], new_out)
+
+    return [new_out]
 
 
 @register_canonicalize("shape_unsafe")

tests/tensor/rewriting/test_subtensor_lift.py

@@ -1,6 +1,5 @@
 import numpy as np
 import pytest
-import unittest_tools as utt
 
 from pytensor import (
     Mode,
@@ -25,13 +24,11 @@
 from pytensor.tensor import (
     add,
     exp,
-    inplace,
     iscalar,
     iscalars,
     lscalar,
     lscalars,
     matrix,
-    scalar,
     shape,
     slicetype,
     specify_shape,
@@ -43,6 +40,7 @@
 from pytensor.tensor.elemwise import DimShuffle, Elemwise
 from pytensor.tensor.rewriting.subtensor_lift import (
     local_subtensor_make_vector,
+    local_subtensor_of_elemwise,
     local_subtensor_shape_constant,
 )
 from pytensor.tensor.shape import SpecifyShape, _shape
@@ -58,22 +56,8 @@
 NO_OPTIMIZATION_MODE = Mode(linker="py", optimizer=None)
 
 
-class TestLocalSubtensorLift:
-    def test_basic(self):
-        # basic test that the Op works
-        x = matrix("x")
-        f = function([x], exp(x)[0], mode=mode_opt)
-
-        # Check stacktrace was copied over correctly after opt was applied
-        assert check_stack_trace(f, ops_to_check="all")
-
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, Subtensor)  # first subtensor
-        assert prog[1].op == exp
-        assert len(prog) == 2
-        f([[0, 1], [2, 3]])  # let debugmode test something
-
-    def test_basic_1(self):
+class TestLocalSubtensorOfElemwise:
+    def test_unary_multiple_clients(self):
         # as test0, but we reuse the output of the elemwise
         # So we should not lift the subtensor
         x = matrix("x")
@@ -87,85 +71,16 @@ def test_basic_1(self):
         assert isinstance(prog[1].op, Subtensor)  # first subtensor
         assert isinstance(prog[2].op, DeepCopyOp)
         assert len(prog) == 3
-        f([[0, 1], [2, 3]])  # let debugmode test something
-
-    def test_basic_2(self):
-        # basic test that the optimization work with scalar broadcasted
-        x = matrix("x")
-        y = scalar("y")
-        z = matrix("z")
-        f = function([x, y, z], exp(x + y + z)[0], mode=mode_opt)
-
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, Subtensor)
-        assert isinstance(prog[1].op, DimShuffle)
-        assert isinstance(prog[2].op, Subtensor)
-        assert isinstance(prog[3].op.scalar_op, ps.Composite)  # Composite{add,add}
-        assert len(prog) == 4
-
-        # Check stacktrace was copied over correctly after opt was applied
-        assert check_stack_trace(f, ops_to_check=[Subtensor])
-
-        # let debugmode test something
-        f([[0, 1], [2, 3]], 4, [[4, 5], [6, 7]])
-
-    def test_basic_3(self):
-        # as 1, but take a slice
-        x = matrix("x")
-        y = scalar("y")
-        z = matrix("z")
-        f = function([x, y, z], exp(x + y + z)[0:2], mode=mode_opt)
-
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, Subtensor)
-        assert isinstance(prog[1].op, DimShuffle)
-        assert isinstance(prog[2].op, Subtensor)
-        assert isinstance(prog[3].op.scalar_op, ps.Composite)  # Composite{add,add}
-        assert len(prog) == 4
-
-        # Check stacktrace was copied over correctly after opt was applied
-        assert check_stack_trace(f, ops_to_check=[Subtensor])
-
-        # let debugmode test something
-        f([[0, 1], [2, 3]], 4, [[4, 5], [6, 7]])
-
-    def test_basic_4(self):
-        # basic test that the optimization does work with broadcasting
-        # for unary elemwise.
-        y = vector("y")
-        f = function([y], exp(y.dimshuffle(0, "x"))[0], mode=mode_opt)
-
-        # Check stacktrace was copied over correctly after opt was applied
-        assert check_stack_trace(f, ops_to_check="all")
-
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, Subtensor)
-        assert isinstance(prog[1].op, DimShuffle)
-        assert prog[2].op == exp
-        assert len(prog) == 3
-        f([4, 5])  # let debugmode test something
-
-    @utt.assertFailure_fast
-    def test_basic_5(self):
-        # basic test that the optimization doesn't work with broadcasting
-        # ... It *could* be extended to,
-        # ... but right now it doesn't, so it shouldn't try.
-        x = matrix("x")
-        y = vector("y")
-        f = function([x, y], exp(x + y)[0], mode=mode_opt)
 
-        # Opt doesn't apply, so no need for check_stack_trace
-        # assert check_stack_trace(f, ops_to_check='all')
-
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, DimShuffle)
-        assert prog[1].op == add
-        assert isinstance(prog[2].op, Subtensor)  # first subtensor
-        assert prog[3].op == inplace.exp_inplace
-        assert len(prog) == 4
-        f([[0, 1], [2, 3]], [4, 5])  # let debugmode test something
+        x_test = [[0, 1], [2, 3]]
+        res1, res2 = f(x_test)
+        np.testing.assert_allclose(
+            res1,
+            np.exp(x_test)[0],
+        )
+        np.testing.assert_allclose(res2, np.exp(x_test))
 
-    def test_basic_6(self):
+    def test_multinary_multiple_clients(self):
         # test that we don't lift when we reuse the output of the
         # elemwise for other computation.
         x = matrix("x")
@@ -181,26 +96,84 @@ def test_basic_6(self):
         # first subtensor
         assert isinstance(prog[2].op, Subtensor)
         assert len(prog) == 3
-        f([[0, 1], [2, 3]], [4, 5])  # let debugmode test something
 
-    def test_basic_7(self):
-        # basic test that the optimization works with a scalar as input,
-        # and a scalar as output (no broadcasting of the scalar needed).
-        # The optimization used to fail and display an ERROR message.
+        x_test = np.array([[0, 1], [2, 3]]).astype(x.dtype)
+        y_test = np.array([4, 5]).astype(y.dtype)
+        res1, res2 = f(x_test, y_test)
+        np.testing.assert_allclose(
+            res1,
+            np.exp(x_test + y_test)[0],
+        )
+        np.testing.assert_allclose(
+            res2,
+            np.exp(x_test + y_test) + x_test,
+        )
+
+    @pytest.mark.parametrize(
+        "original_fn, expected_fn",
+        [
+            # Unary integer indexing
+            (lambda x, y: exp(x)[0], lambda x, y: exp(x[0])),
+            # Unary integer with expand_dims
+            (lambda x, y: exp(x[:, None])[0], lambda x, y: exp(x[0][None])),
+            # Integer indexing on non-broadcastable dimension
+            (lambda x, y: add(x, y)[0], lambda x, y: add(x[0], y[0])),
+            # Slice indexing on non-broadcastable dimension
+            (lambda x, y: add(x, y)[1:], lambda x, y: add(x[1:], y[1:])),
+            # Integer indexing on broacastable dimension
+            (lambda x, y: add(x[None], y[None])[0], lambda x, y: add(x, y)),
+            (lambda x, y: add(x[None], y[None])[0, 1], lambda x, y: add(x[1], y[1])),
+            (
+                lambda x, y: add(x[None, :], y[:, None])[2],
+                lambda x, y: add(x, y[2][None]),
+            ),
+            (
+                lambda x, y: add(x[:, None], y[None, :])[:, 2],
+                lambda x, y: add(x, y[2][None]),
+            ),
+            # Slice indexing on broadcastable dimension
+            (
+                lambda x, y: add(x[None], y[None])[1:],
+                lambda x, y: add(x[None][1:], y[None][1:]),
+            ),
+            (
+                lambda x, y: add(x[None, :], y[:, None])[1:],
+                lambda x, y: add(x[None, :], y[1:][:, None]),
+            ),
+        ],
+    )
+    def test_local_subtensor_of_elemwise(self, original_fn, expected_fn):
+        rng = np.random.default_rng(257)
+        x = pt.matrix("x", shape=(5, 3))
+        y = pt.matrix("y", shape=(5, 3))
+        x_test = rng.normal(size=x.type.shape).astype(x.dtype)
+        y_test = rng.normal(size=y.type.shape).astype(y.dtype)
+
+        out = original_fn(x, y)
+        expected_opt_out = expected_fn(x, y)
+        opt_out = rewrite_graph(out)
+        assert equal_computations([opt_out], [expected_opt_out]), debugprint(
+            [expected_opt_out, opt_out], print_type=True
+        )
+        eval_kwargs = dict(mode=NO_OPTIMIZATION_MODE, on_unused_input="ignore")
+        np.testing.assert_allclose(
+            opt_out.eval({x: x_test, y: y_test}, **eval_kwargs),
+            out.eval({x: x_test, y: y_test}, **eval_kwargs),
+        )
 
-        x = vector("x")
-        y = scalar("y")
-        f = function([x, y], exp(x + y)[0], mode=mode_opt)
+    def test_local_subtensor_of_elemwise_multiple_clients(self):
+        x = pt.matrix("x", shape=(5, 3))
+        y = pt.matrix("y", shape=(5, 3))
+        out1 = add(x, y)
+        out2 = out1[0]
 
-        # Check stacktrace was copied over correctly after opt was applied
-        assert check_stack_trace(f, ops_to_check=Subtensor)
+        # Rewrite should fail when another node uses out1 directly (in this case it's an extra output)
+        fgraph = FunctionGraph([x, y], [out1, out2], clone=False)
+        assert local_subtensor_of_elemwise.transform(fgraph, out2.owner) is None
 
-        prog = f.maker.fgraph.toposort()
-        assert isinstance(prog[0].op, Subtensor)
-        # Composite{add,exp}
-        assert isinstance(prog[1].op.scalar_op, ps.Composite)
-        assert len(prog) == 2
-        f([1, 2, 3], 4)  # let debugmode test something
+        # Otherwise it should work
+        fgraph.remove_output(0)
+        assert local_subtensor_of_elemwise.transform(fgraph, out2.owner) is not None
 
 
 @pytest.mark.parametrize(