Implement pack/unpack helpers

Author: jessegrabowski

pytensor/tensor/extra_ops.py

@@ -28,7 +28,7 @@
 from pytensor.scalar import upcast
 from pytensor.tensor import TensorLike, as_tensor_variable
 from pytensor.tensor import basic as ptb
-from pytensor.tensor.basic import alloc, join, second
+from pytensor.tensor.basic import alloc, arange, join, second
 from pytensor.tensor.exceptions import NotScalarConstantError
 from pytensor.tensor.math import abs as pt_abs
 from pytensor.tensor.math import all as pt_all
@@ -47,7 +47,7 @@
 from pytensor.tensor.math import max as pt_max
 from pytensor.tensor.math import sum as pt_sum
 from pytensor.tensor.shape import Shape_i
-from pytensor.tensor.subtensor import advanced_inc_subtensor1, set_subtensor
+from pytensor.tensor.subtensor import advanced_inc_subtensor1, set_subtensor, take
 from pytensor.tensor.type import TensorType, dvector, int_dtypes, integer_dtypes, vector
 from pytensor.tensor.utils import normalize_reduce_axis
 from pytensor.tensor.variable import TensorVariable
@@ -2074,6 +2074,73 @@ def concat_with_broadcast(tensor_list, axis=0):
     return join(axis, *bcast_tensor_inputs)
 
 
+def pack(
+    *tensors: TensorVariable,
+) -> tuple[TensorVariable, list[tuple[TensorVariable]]]:
+    """
+    Given a list of tensors of varying shapes and dimensions, ravels and concatenates them into a single 1d vector.
+
+    Parameters
+    ----------
+    tensors: TensorVariable
+        Tensors to be packed into a single vector.
+
+    Returns
+    -------
+    flat_tensor: TensorVariable
+        A new symbolic variable representing the concatenated 1d vector of all tensor inputs
+    packed_shapes: list of tuples of TensorVariable
+        A list of tuples, where each tuple contains the symbolic shape of the original tensors.
+    """
+    if not tensors:
+        raise ValueError("Cannot pack an empty list of tensors.")
+
+    # Get the shapes of the input tensors
+    packed_shapes = [
+        t.type.shape if not any(s is None for s in t.type.shape) else t.shape
+        for t in tensors
+    ]
+
+    # Flatten each tensor and concatenate them into a single 1D vector
+    flat_tensor = join(0, *[t.ravel() for t in tensors])
+
+    return flat_tensor, packed_shapes
+
+
+def unpack(
+    flat_tensor: TensorVariable, packed_shapes: list[tuple[TensorVariable | int]]
+) -> tuple[TensorVariable, ...]:
+    """
+    Unpack a flat tensor into its original shapes based on the provided packed shapes.
+
+    Parameters
+    ----------
+    flat_tensor: TensorVariable
+        A 1D tensor that contains the concatenated values of the original tensors.
+    packed_shapes: list of tuples of TensorVariable
+        A list of tuples, where each tuple contains the symbolic shape of the original tensors.
+
+    Returns
+    -------
+    unpacked_tensors: tuple of TensorVariable
+        A tuple containing the unpacked tensors with their original shapes.
+    """
+    if not packed_shapes:
+        raise ValueError("Cannot unpack an empty list of shapes.")
+
+    start = 0
+    unpacked_tensors = []
+    for shape in packed_shapes:
+        size = prod(shape, no_zeros_in_input=True)
+        end = start + size
+        unpacked_tensors.append(
+            take(flat_tensor, arange(start, end, dtype="int").reshape(shape))
+        )
+        start = end
+
+    return tuple(unpacked_tensors)
+
+
 __all__ = [
     "searchsorted",
     "cumsum",
@@ -2096,4 +2163,6 @@ def concat_with_broadcast(tensor_list, axis=0):
     "logspace",
     "linspace",
     "broadcast_arrays",
+    "pack",
+    "unpack",
 ]

tests/tensor/test_extra_ops.py

@@ -9,7 +9,7 @@
 from pytensor.compile.mode import Mode
 from pytensor.configdefaults import config
 from pytensor.graph import rewrite_graph
-from pytensor.graph.basic import Constant, applys_between, equal_computations
+from pytensor.graph.basic import Constant, Variable, applys_between, equal_computations
 from pytensor.npy_2_compat import old_np_unique
 from pytensor.raise_op import Assert
 from pytensor.tensor import alloc
@@ -37,11 +37,13 @@
     diff,
     fill_diagonal,
     fill_diagonal_offset,
+    pack,
     ravel_multi_index,
     repeat,
     searchsorted,
     squeeze,
     to_one_hot,
+    unpack,
     unravel_index,
 )
 from pytensor.tensor.type import (
@@ -1378,3 +1380,69 @@ def test_concat_with_broadcast():
         a = pt.tensor("a", shape=(1, 3, 5))
         b = pt.tensor("b", shape=(3, 5))
         pt.concat_with_broadcast([a, b], axis=1)
+
+
+@pytest.mark.parametrize(
+    "shapes, expected_flat_shape",
+    [([(), (5,), (3, 3)], 15), ([(), (None,), (None, None)], None)],
+    ids=["static", "symbolic"],
+)
+def test_pack_all_shapes_known(shapes, expected_flat_shape):
+    rng = np.random.default_rng()
+
+    x = pt.tensor("x", shape=shapes[0])
+    y = pt.tensor("y", shape=shapes[1])
+    z = pt.tensor("z", shape=shapes[2])
+
+    has_static_shape = [not any(s is None for s in shape) for shape in shapes]
+
+    flat_packed, packed_shapes = pack(x, y, z)
+
+    assert flat_packed.type.shape[0] == expected_flat_shape
+
+    for i, (packed_shape, has_static) in enumerate(
+        zip(packed_shapes, has_static_shape)
+    ):
+        if has_static:
+            assert packed_shape == shapes[i]
+        else:
+            assert isinstance(packed_shape, Variable)
+
+    new_outputs = unpack(flat_packed, packed_shapes)
+
+    assert len(new_outputs) == 3
+    assert all(
+        out.type.shape == var.type.shape for out, var in zip(new_outputs, [x, y, z])
+    )
+
+    fn = function([x, y, z], new_outputs, mode="FAST_COMPILE")
+
+    input_vals = [
+        rng.normal(size=shape) for var, shape in zip([x, y, z], [(), (5,), (3, 3)])
+    ]
+    new_output_vals = fn(*input_vals)
+    for input, output in zip(input_vals, new_output_vals):
+        np.testing.assert_allclose(input, output)
+
+
+def test_make_replacements_with_pack_unpack():
+    rng = np.random.default_rng()
+
+    x = pt.tensor("x", shape=())
+    y = pt.tensor("y", shape=(5,))
+    z = pt.tensor("z", shape=(3, 3))
+
+    loss = (x + y.sum() + z.sum()) ** 2
+
+    flat_packed, packed_shapes = pack(x, y, z)
+    new_input = flat_packed.type()
+    new_outputs = unpack(new_input, packed_shapes)
+
+    loss = pytensor.graph.graph_replace(loss, dict(zip([x, y, z], new_outputs)))
+    fn = pytensor.function([new_input], loss, mode="FAST_COMPILE")
+
+    input_vals = [rng.normal(size=(var.type.shape)) for var in [x, y, z]]
+    flat_inputs = np.r_[*[input.ravel() for input in input_vals]]
+    output_val = fn(flat_inputs)
+
+    assert np.allclose(output_val, sum([input.sum() for input in input_vals]) ** 2)