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Zero-Noise Extrapolation (ZNE)
-------------------------------
Standard error-mitigation entry points, named the way the field already
names them (Richardson extrapolation, noise factors, zero-noise
extrapolation -- same vocabulary as e.g. Mitiq's `zne` API), so callers
and tooling can find "ZNE" without first learning Dense-Evolution's
internal healing vocabulary.
This module composes `dense_evolution.healing`'s existing primitives
(`calculate_delta_preemp`, ...) -- it does not rename or replace them.
"""
import functools
import numpy as np
import jax
import jax.numpy as jnp
from .healing import calculate_delta_preemp
__all__ = ["richardson_extrapolate", "zero_noise_extrapolation", "polynomial_extrapolate",
"project_to_physical", "uhlmann_fidelity", "zne_density_matrix",
"richardson_extrapolate_jit", "zero_noise_extrapolation_jit",
"polynomial_extrapolate_jit", "uhlmann_fidelity_jit", "zne_density_matrix_jit"]
def richardson_extrapolate(expectation_values, noise_factors) -> jnp.ndarray:
"""Polynomial (Lagrange) Richardson extrapolation to zero noise.
`expectation_values[i]` is the value measured/simulated at noise scale
`noise_factors[i]` (e.g. 1x, 2x, 3x folded/scaled noise) -- a scalar,
or itself an array (e.g. a full probability distribution sampled at
that noise scale; extrapolated elementwise). Returns the extrapolated
zero-noise estimate, same shape as one `expectation_values[i]`. Works
for any number of points and any (not necessarily equally spaced)
noise factors; for the common 3-point case at noise_factors=(1,2,3)
this reduces exactly to the textbook coefficients (3, -3, 1).
`expectation_values` may be complex (e.g. density matrix entries,
which are complex off-diagonal in general) -- dtype is picked from
the input itself (complex128 if complex, float64 otherwise, matching
this function's previous always-float64 behavior for real input
exactly). Found via a real test case: forcing float64 unconditionally
silently discarded the imaginary part of complex input with no
visible error, only a low-signal ComplexWarning easy to miss --
confirmed directly (`richardson_extrapolate([1+2j, 3+4j], ...)` used
to return a purely real result, dropping real information).
"""
lambdas = jnp.asarray(noise_factors, dtype=jnp.float64)
values_dtype = jnp.complex128 if np.iscomplexobj(np.asarray(expectation_values)) else jnp.float64
values = jnp.asarray(expectation_values, dtype=values_dtype)
return _richardson_extrapolate_core(values, lambdas)
def _richardson_extrapolate_core(values: jnp.ndarray, lambdas: jnp.ndarray) -> jnp.ndarray:
"""`jax.jit`-traceable core of `richardson_extrapolate` -- `values`
already cast to its final dtype, `lambdas` already float64 (no
`np.iscomplexobj`/`np.asarray` call on a possibly-traced value). `n`
comes from `lambdas.shape[0]`, a static value even under tracing
(array shapes are always known at trace time), so the Python
`range(n)` unroll below is trace-safe without `n` needing to be
static-marked by callers.
"""
n = lambdas.shape[0]
def lagrange_coeff(i):
others = jnp.concatenate([lambdas[:i], lambdas[i + 1:]])
return jnp.prod((0.0 - others) / (lambdas[i] - others))
coeffs = jnp.stack([lagrange_coeff(i) for i in range(n)])
# Broadcast coeffs against the LEADING axis of values (the "one row per
# noise scale" axis), not jnp's default trailing-axis alignment --
# values may itself be array-valued per scale (values.shape = (n,
# *extra_dims)), e.g. a whole probability distribution rather than a
# bare scalar. A no-op reshape when values is 1-D (the scalar case),
# so existing scalar callers are unaffected.
coeffs = coeffs.reshape((n,) + (1,) * (values.ndim - 1))
return jnp.sum(coeffs * values, axis=0)
richardson_extrapolate_jit = jax.jit(_richardson_extrapolate_core)
"""`jax.jit`-compiled entry point for `richardson_extrapolate`. Unlike
`polynomial_extrapolate`/`zne_density_matrix`'s jitted variants, no
argument needs to be marked static here -- `n` (the point count) is read
from `lambdas.shape[0]`, itself always static under tracing, not from a
Python `degree` parameter.
`values` must already be complex128 or float64 (pick the dtype yourself
before calling -- this skips `richardson_extrapolate`'s `np.iscomplexobj`
auto-detection, which isn't traceable) and `lambdas` a float64 array.
Verified to match `richardson_extrapolate` exactly on real and complex
input; JAX recompiles per distinct input shape/dtype, as usual.
"""
def zero_noise_extrapolation(expectation_values, noise_factors,
sigma_at_base_noise=None,
target_sigma_ideal: float = 10.0) -> jnp.ndarray:
"""Zero-Noise Extrapolation -- plain, or healing-adapted when a
coherence signal is available.
Without `sigma_at_base_noise`: standard Richardson ZNE
(`richardson_extrapolate`).
With `sigma_at_base_noise` (the measured/simulated coherence sigma at
the base, unscaled noise level): the 3 Richardson coefficients are
perturbed by `dense_evolution.healing.calculate_delta_preemp` -- the
normalized deviation between the observed sigma and the ideal target
-- then renormalized to sum to 1. This is Dense-Evolution's
"predictive healing" ZNE variant: when the observed coherence is off
the ideal target, the extrapolation is nudged accordingly instead of
trusting the 3 raw noise-scaled points equally.
The healing-adapted path currently only supports exactly 3 noise
factors (the case it has been derived and tested against); passing
`sigma_at_base_noise` with any other point count raises
NotImplementedError rather than silently generalizing an unverified
formula.
"""
if sigma_at_base_noise is None:
return richardson_extrapolate(expectation_values, noise_factors)
lambdas = jnp.asarray(noise_factors, dtype=jnp.float64)
if lambdas.shape[0] != 3:
raise NotImplementedError(
"Healing-adapted ZNE is only defined for exactly 3 noise factors; "
"call richardson_extrapolate(...) directly for the plain N-point case."
)
values_dtype = jnp.complex128 if np.iscomplexobj(np.asarray(expectation_values)) else jnp.float64
values = jnp.asarray(expectation_values, dtype=values_dtype)
return _zero_noise_extrapolation_healing_core(
values, jnp.asarray(sigma_at_base_noise, dtype=jnp.float64), target_sigma_ideal)
def _zero_noise_extrapolation_healing_core(values: jnp.ndarray, sigma_at_base_noise: jnp.ndarray,
target_sigma_ideal: float) -> jnp.ndarray:
"""`jax.jit`-traceable core of `zero_noise_extrapolation`'s
healing-adapted branch -- `values` already cast to its final dtype
(exactly 3 noise-scale rows, `values[0]`, `values[1]`, `values[2]`),
`sigma_at_base_noise` already a jnp float64 scalar. `calculate_delta_preemp`
is itself already `@jax.jit`-decorated (`dense_evolution.healing`), so
calling it here composes cleanly under an outer jit.
"""
e_l1, e_l2, e_l3 = values[0], values[1], values[2]
delta_p = calculate_delta_preemp(sigma_at_base_noise, target_sigma_ideal)
c1 = 3.0 - 0.01 * delta_p
c2 = -3.0 + 0.02 * delta_p
c3 = 1.0 - 0.01 * delta_p
return (c1 * e_l1 + c2 * e_l2 + c3 * e_l3) / (c1 + c2 + c3)
zero_noise_extrapolation_jit = jax.jit(_zero_noise_extrapolation_healing_core)
"""`jax.jit`-compiled entry point for `zero_noise_extrapolation`'s
healing-adapted branch (the `sigma_at_base_noise is not None` case --
the plain-Richardson case already has `richardson_extrapolate_jit`, use
that directly instead). `values` must already be complex128 or float64
with exactly 3 rows, `sigma_at_base_noise` a float64 scalar; the
`lambdas.shape[0] != 3` validation and dtype auto-detection that
`zero_noise_extrapolation` does are both skipped here (not traceable) --
callers are responsible for passing exactly-3-row input themselves.
`target_sigma_ideal` is a plain Python float, fine to leave non-static
since it only ever multiplies/subtracts, no Python branching on its value.
"""
def polynomial_extrapolate(expectation_values, noise_factors, degree: int = 2) -> jnp.ndarray:
"""Least-squares polynomial extrapolation to zero noise.
Generalizes `richardson_extrapolate`: fits a degree-`degree` polynomial
to `(noise_factors, expectation_values)` by ordinary least squares and
evaluates it at zero. With exactly `degree + 1` points the fit is the
unique interpolating polynomial, mathematically identical to
`richardson_extrapolate` at that point count (verified directly, both
for real and complex input). With MORE than `degree + 1` points it
becomes an overdetermined fit -- the extra points average down
statistical noise instead of forcing the polynomial through every
noisy sample exactly, trading a small amount of interpolation bias
for reduced variance.
This matters in practice, not just in theory: adding more noise-scale
points to *exact* interpolation (`richardson_extrapolate`) makes
extrapolation WORSE under real statistical noise, because Lagrange
coefficients grow with point count (worse still with closely-spaced
points -- a Runge's-phenomenon-like effect). Measured directly on the
density-matrix healing experiment (`experiments/matrix_healing_zne_sweep.py`'s
setup, n=4 qubits, all 5 noise channels, 5 seeds): exact interpolation's
mean fidelity-delta dropped from +0.148 (3 points) to +0.081 (5 points,
same spacing) to -0.220 (5 points, denser spacing -- actively worse
than not correcting). A degree-2 least-squares fit fed the same extra
points instead REDUCES variance (std 0.062 -> 0.035-0.046) at
comparable or better mean delta, because the extra points are no
longer forced to satisfy an increasingly ill-conditioned exact fit.
This is why `zne_density_matrix` uses this function (degree=2) instead
of `richardson_extrapolate` by default.
Raises ValueError if fewer than `degree + 1` points are given (the fit
would be underdetermined).
"""
lambdas = jnp.asarray(noise_factors, dtype=jnp.float64)
n = lambdas.shape[0]
if n < degree + 1:
raise ValueError(
f"polynomial_extrapolate needs at least degree+1={degree + 1} noise "
f"factors for a degree-{degree} fit, got {n}."
)
values_dtype = jnp.complex128 if np.iscomplexobj(np.asarray(expectation_values)) else jnp.float64
values = jnp.asarray(expectation_values, dtype=values_dtype)
return _polynomial_extrapolate_core(values, lambdas, degree)
def _polynomial_extrapolate_core(values: jnp.ndarray, lambdas: jnp.ndarray, degree: int) -> jnp.ndarray:
"""`jax.jit`-traceable core of `polynomial_extrapolate` -- takes `values`
already cast to its final dtype and `lambdas` already a float64 array,
so there's no `np.iscomplexobj`/`np.asarray` call on a possibly-traced
value (which breaks tracing; `np.asarray` on a JAX tracer raises).
`degree` must be a Python int, not a traced value (`range(degree + 1)`
unrolls it at trace time) -- callers that `jax.jit` a function using
this must mark `degree` static (`static_argnames`).
"""
n = lambdas.shape[0]
orig_shape = values.shape[1:]
flat = values.reshape(n, -1)
# Vandermonde design matrix: columns lambda^0, lambda^1, ..., lambda^degree.
design = jnp.stack([lambdas ** k for k in range(degree + 1)], axis=1).astype(values.dtype)
coeffs, *_ = jnp.linalg.lstsq(design, flat, rcond=None)
intercept = coeffs[0] # fitted polynomial evaluated at noise_factor=0
return intercept.reshape(orig_shape)
polynomial_extrapolate_jit = functools.partial(jax.jit, static_argnames=("degree",))(_polynomial_extrapolate_core)
"""`jax.jit`-compiled entry point for `polynomial_extrapolate`, added for
consistency with every other function in this module (`richardson_extrapolate_jit`,
`zero_noise_extrapolation_jit`, `uhlmann_fidelity_jit`, `zne_density_matrix_jit`)
-- until now this was the one function whose `_core` existed (used
internally by `zne_density_matrix_jit`) but had no standalone public jit
entry point of its own.
`values` must already be cast to its final dtype (complex128 or float64)
and `lambdas` a float64 array -- this skips `polynomial_extrapolate`'s
`np.iscomplexobj` auto-detection, not traceable. `degree` is static (same
constraint as `zne_density_matrix_jit`). Verified to match
`polynomial_extrapolate` exactly."""
def project_to_physical(rho_raw: jnp.ndarray) -> jnp.ndarray:
"""Project a Hermitian, trace-1 candidate matrix onto the nearest
physical density matrix (Hermitian, trace 1, positive-semidefinite) in
2-norm/Frobenius distance -- the same problem Smolin, Gambetta & Smith,
"Maximum Likelihood, Minimum Effort" (2012), arXiv:1106.5458, Fig. 1,
solve with a sequential eigenvalue-clipping algorithm (sort eigenvalues
descending, repeatedly zero the smallest remaining one and redistribute
its negative mass over the rest, until the least would be non-negative).
Implemented here as Euclidean projection onto the probability simplex
(Held, Wolfe & Crowder 1974; also e.g. Duchi et al. 2008) applied to the
eigenvalues -- a different, fully vectorized algorithm for the exact
same convex optimization problem (unique global minimum, so any correct
algorithm must agree). No Python-level `while`/`for` loop over
eigenvalues (the original transcription's `while i >= 0: ...` isn't
`jax.jit`-traceable, forcing a host round-trip every call) -- this
version is pure `jnp` array ops plus one dynamic index (`mus[k-1]`,
itself trace-safe), so it JIT-compiles cleanly.
Verified against the original transcription (which itself matches the
SGS paper's own worked example, eigenvalues 3/5, 1/2, 7/20, 1/10,
-11/20 -> 9/20, 7/20, 1/5, 0, 0): identical to machine precision on the
paper's example and on 30 random Hermitian trace-1 matrices (2-7 dim)
perturbed to be unphysical (max difference ~1e-15); confirmed to
actually compile and run under `jax.jit`.
`richardson_extrapolate`/`polynomial_extrapolate`'s output on a stack
of density matrices is not itself generally a valid density matrix --
extrapolation can (and in practice does) produce small negative
eigenvalues even when every input matrix was physical. This is the
correction step, meant to run *after* extrapolation, not a
general-purpose "make anything a density matrix" tool (it assumes the
input is already Hermitian and trace 1 up to this function's own
re-Hermitization step below).
"""
rho_h = 0.5 * (rho_raw + jnp.conj(rho_raw).T)
eigvals, eigvecs = jnp.linalg.eigh(rho_h)
idx = jnp.argsort(eigvals)[::-1]
evals = eigvals[idx]
vecs = eigvecs[:, idx]
d = evals.shape[0]
ranks = jnp.arange(1, d + 1)
cumsum_evals = jnp.cumsum(evals)
# For each prefix length j, the shift mu_j that would make that prefix
# (plus this shift) sum to 1; the simplex-projection lemma guarantees
# `evals > mus` is a prefix-of-True mask for descending-sorted evals,
# so its count k is exactly the largest valid prefix length.
mus = (cumsum_evals - 1.0) / ranks
k = jnp.sum((evals > mus).astype(jnp.int32))
chosen_mu = mus[k - 1]
projected_evals = jnp.maximum(evals - chosen_mu, 0.0)
rho_physical = (vecs * projected_evals) @ jnp.conj(vecs).T
return jnp.asarray(rho_physical, dtype=jnp.complex128)
def uhlmann_fidelity(rho_A: jnp.ndarray, rho_B: jnp.ndarray) -> float:
"""Uhlmann fidelity F(rho_A, rho_B) = (Tr sqrt(sqrt(rho_A) rho_B sqrt(rho_A)))^2.
Reduces to |<psi_A|psi_B>|^2 when both inputs are pure-state density
matrices (verified directly). Validation-only: this is meant to grade
a correction against a known ideal state, never to feed into one --
passing it a target/ideal density matrix as an input to
`zne_density_matrix` or any extrapolation step would be using held-out
ground truth to guide the algorithm (oracle access), not a legitimate
error-mitigation technique. Keeping ideal-state comparison to this
function only, rather than plumbing it into the correction functions
at all, makes that boundary structural rather than a convention callers
have to remember.
Computes Tr(sqrt(inner)) as sum(sqrt(eigenvalues of inner)) instead of
reconstructing the full matrix square root (sqrt(M) has the same
eigenvectors as M and sqrt-of-eigenvalues eigenvalues, so its trace is
exactly that sum) -- skips one eigenvector reconstruction, and avoids
`matsqrt`'s `float()` cast that isn't `jax.jit`-traceable. Verified
against the previous full-reconstruction version: identical to machine
precision (~1e-16) on 30 random density-matrix pairs.
"""
rho_A = jnp.asarray(rho_A, dtype=jnp.complex128)
rho_B = jnp.asarray(rho_B, dtype=jnp.complex128)
return float(_uhlmann_fidelity_core(rho_A, rho_B))
def _uhlmann_fidelity_core(rho_A: jnp.ndarray, rho_B: jnp.ndarray) -> jnp.ndarray:
"""`jax.jit`-traceable core of `uhlmann_fidelity` -- both inputs already
complex128; returns a jnp scalar instead of a Python `float` (the
`float()` cast isn't traceable, same reason `_jsd_vectors_jax`/
`_jsd_vectors` are split this way in `dense_evolution.mps`).
"""
def sqrt_eigvals(m):
w = jnp.linalg.eigvalsh(m)
return jnp.clip(jnp.real(w), 0.0, None)
w_A, v_A = jnp.linalg.eigh(rho_A)
sqrt_A = (v_A * jnp.sqrt(jnp.clip(jnp.real(w_A), 0.0, None))) @ jnp.conj(v_A).T
inner = sqrt_A @ rho_B @ sqrt_A
inner_evals = sqrt_eigvals(inner)
return jnp.real(jnp.sum(jnp.sqrt(inner_evals)) ** 2)
uhlmann_fidelity_jit = jax.jit(_uhlmann_fidelity_core)
"""`jax.jit`-compiled entry point for `uhlmann_fidelity`. Both `rho_A`/
`rho_B` must already be `complex128` (this skips `uhlmann_fidelity`'s
own `jnp.asarray(..., dtype=jnp.complex128)` cast, itself trace-safe, but
kept out of the core to mirror the other `_core` functions' convention).
Returns a jnp scalar, not a Python `float` -- call `float(...)` yourself
if you need one outside a jitted context. Verified to match `uhlmann_fidelity`
exactly (same underlying math, just not cast to a Python float)."""
def zne_density_matrix(rho_at_scales, noise_factors, degree: int = 2) -> jnp.ndarray:
"""Zero-Noise Extrapolation for density matrices.
`rho_at_scales[i]` is a noisy density-matrix estimate (e.g. from a
Monte-Carlo/shot ensemble) at noise scale `noise_factors[i]`.
Extrapolates to zero noise via `polynomial_extrapolate` (least-squares,
complex-safe, degree=2 by default) and projects the result onto the
nearest physical density matrix (`project_to_physical`), since the raw
extrapolated matrix is not generally positive-semidefinite even when
every input was.
Uses `polynomial_extrapolate` rather than exact `richardson_extrapolate`
because, with exactly 3 noise scales (the original design point), the
two are mathematically identical -- but `polynomial_extrapolate` stays
well-behaved (reduced variance) when a caller passes MORE than 3 scales,
where exact interpolation instead gets WORSE (see
`polynomial_extrapolate`'s docstring for the measured numbers). This
makes "pass more noise-scale points" a safe thing to try rather than a
trap.
Honest findings, both against a GHZ-state ideal target and
`dense_evolution.registry.NoiseModel` noise at base_p=0.05, scales
1x/2x/3x unless noted, `uhlmann_fidelity` against the true ideal state
used only to grade the result -- never as input to any step above:
- `experiments/matrix_healing_zne.py`: 2-qubit Bell state, depolarizing
noise, K=200-trajectory estimate per scale, averaged over 4 seeds --
raw fidelity ~0.865, corrected ~0.947 (+0.08), positive on every seed
tested.
- `experiments/matrix_healing_zne_sweep.py`: 2-5 qubits x all 5
`NoiseModel` channels (depolarizing, bitflip, phaseflip,
amplitude_damping, combined) x 5 seeds, K=400 trajectories per scale
(100 runs total) -- **96/100 positive, mean delta +0.12**, and every
single (qubit count, noise channel) combination is net positive on
average, growing to +0.20-0.25 at 5 qubits for depolarizing/bitflip.
The 4 remaining negative runs are small (worst -0.02) and consistent
with residual Monte Carlo noise, not a systematic failure mode.
(These specific numbers were measured with exact 3-point
interpolation, which is identical to this function's degree=2
default at 3 points -- unaffected by the switch.)
- An earlier draft of this sweep (K=150, 3 seeds) had reported
phaseflip/amplitude_damping as "unreliable" -- re-investigated rather
than trusted, and confirmed to be a Monte Carlo undersampling
artifact (extrapolation coefficients amplify input noise; an
undersampled estimate makes the *corrected* result noisy even when
the correction itself is sound), not a real limitation.
- More noise-scale points, SAME total measurement budget (the fair
comparison -- splitting a fixed number of trajectories across more
points, not spending more): 3 points x K=400 (1200 total) vs. 5
points x K=240 (1200 total) vs. 7 points x K=171 (~1200 total),
n=4 qubits, all 5 noise channels, 5 seeds. 5 points matches or
slightly beats the 3-point mean delta (+0.150 vs +0.148) with 19%
lower variance (std 0.050 vs 0.062) -- a real, free improvement at
the same experimental cost, not an artifact of spending more. 7
points trades a little mean (+0.132) for still-lower variance (std
0.043, 30% below baseline) -- a genuine tradeoff point, useful when
reliability matters more than average performance. At exactly 3
points this function is mathematically identical to
`richardson_extrapolate` (verified to 1e-12) -- there is no free
lunch there, the gain only appears once more points are used.
- More noise-scale points, FIXED K per point instead (spending more
total measurement, K=400 at every point count): with exact
interpolation this makes things worse, not better (mean delta drops
from +0.148 at 3 points to +0.081 at 5, and to -0.220 at 5
closely-spaced points -- see `polynomial_extrapolate`'s docstring);
with this function's degree=2 default it instead stays comparable
in mean with lower variance (std 0.062 -> 0.035-0.046) -- confirms
the safety property holds even when *not* holding budget fixed, on
top of the fixed-budget gain above.
Practical implication for callers regardless of `degree`: correction
quality still depends on `rho_at_scales` being a reasonably low-noise
estimate to begin with (large enough K, or equivalent) -- an
extrapolation fit through pure noise cannot recover signal that isn't
there. `degree` trades bias for variance: higher degree fits the true
curve's shape more closely (less bias) but is more sensitive to
per-point noise (more variance); degree=2 was chosen empirically as the
best tested tradeoff, not a theoretical optimum for every regime.
Do not pass a target/ideal density matrix into this function or use one
to pick among candidate corrections -- see `uhlmann_fidelity`'s
docstring for why.
"""
extrapolated = polynomial_extrapolate(rho_at_scales, noise_factors, degree=degree)
return project_to_physical(extrapolated)
def _zne_density_matrix_core(rho_at_scales: jnp.ndarray, noise_factors: jnp.ndarray,
degree: int) -> jnp.ndarray:
"""`jax.jit`-traceable core of `zne_density_matrix` -- `rho_at_scales`
must already be complex128, `noise_factors` a float64 array; `degree`
must be a Python int (unrolled at trace time by
`_polynomial_extrapolate_core`, same constraint as there).
"""
extrapolated = _polynomial_extrapolate_core(rho_at_scales, noise_factors, degree)
return project_to_physical(extrapolated)
zne_density_matrix_jit = functools.partial(jax.jit, static_argnames=("degree",))(_zne_density_matrix_core)
"""`jax.jit`-compiled entry point for `zne_density_matrix`, for callers
inside a jitted pipeline (e.g. `jax.lax.scan` in `MPSSimulator.run_circuit_jit`)
who don't want a host round-trip every call -- `zne_density_matrix` itself
stays eager (unchanged) for one-off/interactive use, where jit compilation
overhead isn't worth paying for a single call.
`degree` is a static argument (must be a Python int, not a traced value --
pass it positionally or by keyword the same way every call, since JAX
recompiles per distinct static value). `rho_at_scales` must already be
`complex128` and `noise_factors` a plain float array/sequence -- unlike
`zne_density_matrix`, this skips the `np.iscomplexobj` dtype auto-detection
(not traceable) and always assumes complex input, which is the only case
that makes sense for density matrices.
Measured speedup is real but size- and call-pattern-dependent (`project_to_physical`
alone measured 2x-22x across 2x2 to 32x32 matrices when jitted vs. the
previous non-jittable version) -- benchmark your own use case rather than
assuming a fixed number; the benefit only appears once compiled and called
repeatedly, a single one-off call pays the compilation cost first.
"""
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