midas-calibrate-v2 0.2.0

Fully differentiable detector calibration for MIDAS — multi-image, Bayesian, NN-residual, joint forward cake. Coexists with midas-calibrate v1.

midas-calibrate-v2

Fully differentiable detector calibration for MIDAS.

v1 still ships as the C-backed reference implementation under midas-calibrate. v2 coexists; pick whichever fits the job.

What v2 adds over v1

• Fit anything — every input (Lsd, BC, tilts, p₀…p₁₄, parallax, λ, pxY, pxZ, panel shifts) is a differentiable Parameter. Promoting a fixed input to refined is a one-line spec change.
• Multi-image / multi-distance joint — share intrinsics (pxY/Z, distortion, panels) across multiple beam positions or distances. Wright2022's grid panel calibration is a special case. This is what operationally unlocks pixel-size and d-spacing fitting (rank-deficient with a single image).
• Bayesian calibration — Laplace at MAP (cheap), pyro mean-field VI, or pyro NUTS for full posterior. Per-parameter 1σ + full covariance for downstream uncertainty propagation.
• NN-augmented residual — small conv NN ΔR(y, z) augmenter, two-stage training, smoothness-regularised so it doesn't absorb harmonics.
• Joint forward cake — predict the (R, η) cake intensity directly from (θ_geom, θ_shape) and fit raw cake values. Sidesteps v1's centroid + Newton inversion break.
• Downstream HEDM coupling — sensitivity diagnostic + auxiliary loss that uses per-grain strain noise to validate calibration.

Installation

pip install midas-calibrate-v2
# Bayesian extras (pyro):
pip install "midas-calibrate-v2[bayesian]"
# Everything:
pip install "midas-calibrate-v2[all]"

Quickstart

Drop-in replacement for v1

from midas_calibrate.params import CalibrationParams
from midas_calibrate_v2.pipelines.single import autocalibrate
import tifffile

v1 = CalibrationParams.from_file("paramstest.txt")
image = tifffile.imread("ceria.tif")
result = autocalibrate(v1, image, n_iter=5)
print(result.history[-1].mean_strain_uE)

Fitting pixel size from multi-distance data

from midas_calibrate.params import CalibrationParams
from midas_calibrate_v2.pipelines.multi import build_multi_spec, autocalibrate_multi

v1s = [CalibrationParams.from_file(p) for p in paramfiles]
images = [tifffile.imread(p) for p in image_files]

multi = build_multi_spec(v1s)        # pxY, pxZ shared across images
multi.shared["pxY"].refined = True   # opt in: refine pixel size
multi.shared["pxZ"].refined = True

result = autocalibrate_multi(v1s, images, multi_spec=multi, n_iter=10)
print(f"refined pxY = {result.shared_unpacked['pxY']:.4f} μm")

Bayesian calibration with Laplace 1σ

from midas_calibrate_v2.pipelines.bayesian import autocalibrate_bayesian

result = autocalibrate_bayesian(v1, image, mode="laplace")
print(result.laplace.sigma_per_dim)      # marginal 1σ per refined param
print(result.laplace.cov)                # full covariance

NN-augmented residual

from midas_calibrate_v2.pipelines.nn_residual import autocalibrate_nn

result = autocalibrate_nn(v1, image, mode="two_stage")
print(result.harmonic_drift)             # should be ~0 if NN is well-behaved

Joint forward cake

from midas_calibrate_v2.pipelines.joint_cake import autocalibrate_joint

result = autocalibrate_joint(v1, image)

Sensitivity to downstream HEDM

from midas_calibrate_v2.pipelines.downstream import sensitivity_diagnostic

def my_hedm_evaluator(unpacked):
    # User-supplied differentiable HEDM forward model.  Returns per-grain
    # strain residual norms or a scalar fitness.
    ...

report = sensitivity_diagnostic(v1, image, my_hedm_evaluator)
print(report.parameter_names, report.sensitivity_signed)

Architecture

midas_calibrate_v2/
├── parameters/   Parameter, CalibrationSpec, MultiImageSpec, pack/unpack, transforms
├── forward/      geometry, panels, distortion, parallax, bragg, cake, peak_shape, nn_residual
├── loss/         pseudo_strain, prior, multi_image, nn_regularizer, downstream_strain
├── inference/    lm, lbfgs, adam, laplace, vi (pyro), hmc (pyro)
├── pipelines/    single, multi, bayesian, nn_residual, joint_cake, downstream
└── compat/       from_v1 (read v1 paramstest.txt), to_v1 (write back)

Forward primitives compose: pixel_to_REta consumes pxY, pxZ as tensors, applies optional per-panel rigid body, runs the harmonic distortion basis, applies always-on parallax, and returns (R, η) differentiable in every refined input.

Migrating from v1

v1 parameter files are read directly:

from midas_calibrate_v2.compat import spec_from_v1_file
spec = spec_from_v1_file("paramstest.txt")

Output is v1-compatible so downstream MIDAS HEDM tools need no changes:

from midas_calibrate_v2.compat import write_v1_paramstest
write_v1_paramstest(result.unpacked, v1_template, "paramstest_v2.txt")

Handing off to midas-integrate

For the radial integration pipeline (midas-integrate ≥ 0.4.0) there is a one-call adapter that handles distortion remap, the Stage 4 spline, and the per-ring δr_k sidecar in a single step:

from midas_integrate.params import parse_params
from midas_calibrate_v2.compat.to_integrate import to_integrate_params

template = parse_params("seed_paramstest.txt")
ip = to_integrate_params(
    res,                        # PVCalibrationResult or FourStageResult
    template=template,
    output_dir="./integrate_in",
    ring_d_spacing_A=ring_d, ring_two_theta_deg=ring_tt,
)
# ip is now ready for midas_integrate.detector_mapper.build_map

What's not representable in midas-integrate v1 (per-panel shifts and per-ring δr_k) is dropped from the IntegrationParams and routed to sidecar files instead — write_panel_shifts_file and write_per_ring_offsets_json respectively. Per-ring offsets need to be applied at the downstream peak-fit / Rietveld stage; v1's radial map has no per-ring concept.

Status

• v0.1.0 — alpha. Single, multi, bayesian (Laplace + VI), NN-residual, joint-cake pipelines wired and runnable. Parity testing against v1 ongoing.
• v0.2 — production-grade tests, multi-image HDF5 spec, performance pass on the joint-cake LM (Schur complement via lm_solve_arrowhead).
• v0.3 — downstream HEDM coupling once the differentiable HEDM forward model lands in midas_diffract / midas_grain_odf.