AbstractGaussNewton now supports reverse-autodiff for Jacobians.

optimistix/_solver/dogleg.py

@@ -224,6 +224,13 @@ class Dogleg(AbstractGaussNewton[Y, Out, Aux], strict=True):
     The distinguishing feature of this algorithm is the "dog leg" shape of its descent
     path, in which it begins by moving in the steepest descent direction, and then
     switches to moving in the Newton direction.
+
+    Supports the following `options`:
+
+    - `jac`: whether to use forward- or reverse-mode autodifferentiation to compute the
+        Jacobian. Can be either `"fwd"` or `"bwd"`. Defaults to `"fwd"`, which is
+        usually more efficient. Changing this can be useful when the target function has
+        a `jax.custom_vjp`, and so does not support forward-mode autodifferentiation.
     """
 
     rtol: float

optimistix/_solver/gauss_newton.py

@@ -1,5 +1,5 @@
 from collections.abc import Callable
-from typing import Any, Generic, Optional, Union
+from typing import Any, Generic, Literal, Optional, Union
 
 import equinox as eqx
 import jax
@@ -164,10 +164,28 @@ class _GaussNewtonState(
 
 
 def _make_f_info(
-    fn: Callable[[Y, Args], tuple[Any, Aux]], y: Y, args: Args, tags: frozenset
+    fn: Callable[[Y, Args], tuple[Any, Aux]],
+    y: Y,
+    args: Args,
+    tags: frozenset,
+    jac: Literal["fwd", "bwd"],
 ) -> tuple[FunctionInfo.ResidualJac, Aux]:
-    f_eval, lin_fn, aux_eval = jax.linearize(lambda _y: fn(_y, args), y, has_aux=True)
-    jac_eval = lx.FunctionLinearOperator(lin_fn, jax.eval_shape(lambda: y), tags)
+    if jac == "fwd":
+        f_eval, lin_fn, aux_eval = jax.linearize(
+            lambda _y: fn(_y, args), y, has_aux=True
+        )
+        jac_eval = lx.FunctionLinearOperator(lin_fn, jax.eval_shape(lambda: y), tags)
+    elif jac == "bwd":
+        # Materialise the Jacobian in this case.
+        def _for_jacrev(_y):
+            f_eval, aux_eval = fn(_y, args)
+            return f_eval, (f_eval, aux_eval)
+
+        jac_pytree, (f_eval, aux_eval) = jax.jacrev(_for_jacrev, has_aux=True)(y)
+        output_structure = jax.eval_shape(lambda: f_eval)
+        jac_eval = lx.PyTreeLinearOperator(jac_pytree, output_structure, tags)
+    else:
+        raise ValueError("Only `jac='fwd'` or `jac='bwd'` are valid.")
     return FunctionInfo.ResidualJac(f_eval, jac_eval), aux_eval
 
 
@@ -187,6 +205,13 @@ class AbstractGaussNewton(
     - `descent`: `AbstractDescent`
     - `search`: `AbstractSearch`
     - `verbose`: `frozenset[str]`
+
+    Supports the following `options`:
+
+    - `jac`: whether to use forward- or reverse-mode autodifferentiation to compute the
+        Jacobian. Can be either `"fwd"` or `"bwd"`. Defaults to `"fwd"`, which is
+        usually more efficient. Changing this can be useful when the target function has
+        a `jax.custom_vjp`, and so does not support forward-mode autodifferentiation.
     """
 
     rtol: AbstractVar[float]
@@ -208,7 +233,8 @@ def init(
         aux_struct: PyTree[jax.ShapeDtypeStruct],
         tags: frozenset[object],
     ) -> _GaussNewtonState:
-        f_info_struct, _ = eqx.filter_eval_shape(_make_f_info, fn, y, args, tags)
+        jac = options.get("jac", "fwd")
+        f_info_struct, _ = eqx.filter_eval_shape(_make_f_info, fn, y, args, tags, jac)
         f_info = tree_full_like(f_info_struct, 0, allow_static=True)
         return _GaussNewtonState(
             first_step=jnp.array(True),
@@ -233,7 +259,8 @@ def step(
         state: _GaussNewtonState,
         tags: frozenset[object],
     ) -> tuple[Y, _GaussNewtonState, Aux]:
-        f_eval_info, aux_eval = _make_f_info(fn, state.y_eval, args, tags)
+        jac = options.get("jac", "fwd")
+        f_eval_info, aux_eval = _make_f_info(fn, state.y_eval, args, tags, jac)
         # We have a jaxpr in `f_info.jac`, which are compared by identity. Here we
         # arrange to use the same one so that downstream equality checks (e.g. in the
         # `filter_cond` below)
@@ -360,6 +387,13 @@ class GaussNewton(AbstractGaussNewton[Y, Out, Aux], strict=True):
 
     Note that regularised approaches like [`optimistix.LevenbergMarquardt`][] are
     usually preferred instead.
+
+    Supports the following `options`:
+
+    - `jac`: whether to use forward- or reverse-mode autodifferentiation to compute the
+        Jacobian. Can be either `"fwd"` or `"bwd"`. Defaults to `"fwd"`, which is
+        usually more efficient. Changing this can be useful when the target function has
+        a `jax.custom_vjp`, and so does not support forward-mode autodifferentiation.
     """
 
     rtol: float

optimistix/_solver/levenberg_marquardt.py

@@ -264,6 +264,13 @@ class LevenbergMarquardt(AbstractGaussNewton[Y, Out, Aux], strict=True):
     region around the current point.
 
     This is a good algorithm for many least squares problems.
+
+    Supports the following `options`:
+
+    - `jac`: whether to use forward- or reverse-mode autodifferentiation to compute the
+        Jacobian. Can be either `"fwd"` or `"bwd"`. Defaults to `"fwd"`, which is
+        usually more efficient. Changing this can be useful when the target function has
+        a `jax.custom_vjp`, and so does not support forward-mode autodifferentiation.
     """
 
     rtol: float
@@ -316,6 +323,13 @@ class IndirectLevenbergMarquardt(AbstractGaussNewton[Y, Out, Aux], strict=True):
     Generally speaking [`optimistix.LevenbergMarquardt`][] is preferred, as it performs
     nearly the same algorithm, without the computational overhead of an extra (scalar)
     nonlinear solve.
+
+    Supports the following `options`:
+
+    - `jac`: whether to use forward- or reverse-mode autodifferentiation to compute the
+        Jacobian. Can be either `"fwd"` or `"bwd"`. Defaults to `"fwd"`, which is
+        usually more efficient. Changing this can be useful when the target function has
+        a `jax.custom_vjp`, and so does not support forward-mode autodifferentiation.
     """
 
     rtol: float

tests/test_least_squares.py

@@ -127,3 +127,25 @@ def least_squares(x, dynamic_args, *, adjoint):
     # assert tree_allclose(out2, expected_out, atol=atol, rtol=rtol)
     # assert tree_allclose(t_expected_out2, t_expected_out, atol=atol, rtol=rtol)
     # assert tree_allclose(t_out2, t_expected_out, atol=atol, rtol=rtol)
+
+
+def test_gauss_newton_jacrev():
+    @jax.custom_vjp
+    def f(y, _):
+        return dict(bar=y["foo"] ** 2)
+
+    def f_fwd(y, _):
+        return f(y, None), jnp.sign(y["foo"])
+
+    def f_bwd(sign, g):
+        return dict(foo=sign * g["bar"]), None
+
+    f.defvjp(f_fwd, f_bwd)
+
+    solver = optx.LevenbergMarquardt(rtol=1e-8, atol=1e-8)
+    y0 = dict(foo=jnp.arange(3.0))
+    out = optx.least_squares(f, solver, y0, options=dict(jac="bwd"), max_steps=512)
+    assert tree_allclose(out.value, dict(foo=jnp.zeros(3)), rtol=1e-3, atol=1e-2)
+
+    with pytest.raises(TypeError, match="forward-mode autodiff"):
+        optx.least_squares(f, solver, y0, options=dict(jac="fwd"), max_steps=512)