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Toolbox for non-linear calibration modeling.

Home Page: https://calibr8.readthedocs.io

License: GNU Affero General Public License v3.0

Python 3.21% Jupyter Notebook 96.79%
bayesian-inference calibration calibration-curve likelihood-functions pymc

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calibr8's Issues

add pymc v4 compatibility

We use a function that will not be available in v4:
grafik

Additionally, our current test CI is not testing with v4, so we should add compatibility with the v4 release.

scale_degree warning

Should we implement a warning if scale_degree > 2 (or even starting with 2) is used? We could at least help the user question the choice this way.

Add `BasePolynomialModelN` and `BaseAsymmetricLogisticN` counterparts

We have contrib-models with StudentTNoise, but models with normally distributed noise are much more common.

I have these implementations already, just need to write docstrings and tests.

ToDo:

  • Refactor the t-models into their own file
  • Add a corresponding file with NormalNoise models for all three.

Optimization algorithm to determine HDIs does not converge well

While working on #12 I added tests and came up with one to check if calibr8.core._get_hdi is doing a good job.

It does not.

I believe the scipy.optimize.fmin doesn't cope well with the switching inside the hdi_objective, or at least not in combination with the step-function like area calculation by _interval_prob.

Some starting points to fix this:

  • Make a detailed heatmap visualization of the objective function that's being optimized, based on a coarse x_cdf and cdf input. (Hypothesis: It's not smooth, but has step functions in one dimension.)
  • Adapt test_interval_prob to an interpolation that should give much more accurate results compared to the step-function. (Also nicer conceptually!)
  • Use the triangular example from test_get_hdi as a starting point, because it's HDI is easy to determine analytically (centerline of the triangle to its right flank).

pygmo deprecation?

  • pygmo is not compatible with the latest versions of calibr8 (potentially due to pymc/pickle)
  • Should we deprecate?

Enhance documentation for new users

  • Add general explanation or link a good page to explain student-t and its parameters
  • Add hints on model complexity (first using linear, then exponential, then logistic)
  • Add hint on scale_degree (start with lowest degree)

Standardize the `loglikelihood` and `likelihood` shape broadcasting

Working on #12 I started changing the broadcasting behavior of CalibrationModel.likelihood and CalibrationModel.loglikelihood, but it's not as simple and deserves it's very own issue & PR.

What needs to be done:

  • Come up with a comprehensive list of shape_indep, shape_obs, model_ndim, scan_x combinations and precisely define the shape_expected.
  • Keep in mind that shape_indep may be higher-dimensional, for example when broadcasting with a 5-dimensional tensor..
  • Critically analyze: Do we even need scan_x if the broadcasting behavior is clearly defined?
  • Make the necessary changes to CalibrationModel.loglikelihood and CalibrationModel.likelihood

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