fitting
hmc(params, log_prob_and_grad, num_steps, num_leaps, step_size, comm, key)
Runs Hamilonian Monte Carlo using a leapfrog integrator to approximate Hamilonian dynamics. This is a naive implementaion that will be replaced in the future.
The parallelism model employed here is different that most samplers where each task runs a subset of the chain, instead since the rest of WITCH employs a model where the data is distributed across tasks we do that here as well. In this model the chain evolves simultaneously in all tasks, but only rank 0 actually stores the chain.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
params
|
Array
|
The initial parameters to start the chain at. |
required |
log_prob_and_grad
|
Callable[[Array], tuple[Array, Array]]
|
Function that returns the log probability of the model and its gradient
for a given set of params. This should take |
required |
num_steps
|
int
|
The number of steps to run the chain for. |
required |
num_leaps
|
int
|
The number of leapfrog steps to run at each step of the chain. |
required |
step_size
|
Array
|
The step size to use.
Should be a scalar jax array.
At each leapfrog step the parameters will evolve by |
required |
comm
|
Comm | Intracomm | NullComm
|
The MPI comm object to use. |
required |
Returns:
| Name | Type | Description |
|---|---|---|
chain |
Array
|
The chain of samples.
Will have shape |
Source code in witch/fitting.py
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invsafe(matrix, thresh=1e-16)
Safe SVD based psuedo-inversion of the matrix. This zeros out modes that are too small when inverting. Use with caution in cases where you really care about what the inverse is.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
matrix
|
Array
|
The matrix to invert.
Should be a |
required |
thresh
|
float
|
Threshold at which to zero out a mode. |
1e-14
|
Returns:
| Name | Type | Description |
|---|---|---|
invmat |
Array
|
The inverted matrix.
Same shape as |
Source code in witch/fitting.py
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invscale(matrix, thresh=1e-16, do_invsafe=False)
Invert and rescale a matrix by the diagonal.
This uses invsafe for the inversion.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
matrix
|
Array
|
The matrix to invert and sxane.
Should be a |
required |
thresh
|
float
|
Threshold for |
1e-14
|
Returns:
| Name | Type | Description |
|---|---|---|
invmat |
Array
|
The inverted and rescaled matrix.
Same shape as |
Source code in witch/fitting.py
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run_lmfit(metamodel, maxiter=10, chitol=1e-05)
Fit a set of models to datasets jointly. This uses a modified Levenberg–Marquardt fitter with flat priors. This function is MPI aware.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
metamodel
|
MetaModel
|
The MetaModel that describes the models and datasets. |
required |
maxiter
|
int
|
The maximum number of iterations to fit. |
10
|
chitol
|
float
|
The delta chisq to use as the convergence criteria. |
1e-5
|
Returns:
| Name | Type | Description |
|---|---|---|
models |
tuple[Model, ...]
|
Model with the final set of fit parameters, errors, and chisq. |
final_iter |
int
|
The number of iterations the fitter ran for. |
delta_chisq |
float
|
The final delta chisq. |
curve |
Array
|
The final covariance matrix. |
Source code in witch/fitting.py
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run_mcmc(metamodel, num_steps=5000, num_leaps=10, step_size=jnp.array(0.02), sample_which=-1, burn_in=0.1, max_tries=20)
Run Hamilonian Monte Carlo to estimate the posterior for our model.
Currently this function only support flat priors, but more will be supported
down the line. In order to ensure accuracy of the noise model used, it is
reccomended that you run at least one round of fit_tods followed by noise
reestimation before this function.
This is MPI aware. Eventually this will be replaced with something more jaxy.
Parameters:
| Name | Type | Description | Default |
|---|---|---|---|
metamodel
|
MetaModel
|
The MetaModel that describes the models and datasets. |
required |
num_steps
|
int
|
The number of steps to run MCMC for. |
5000
|
num_leaps
|
int
|
The number of leapfrog steps to take at each sample. |
10
|
step_size
|
Array
|
The step size to use in the leapfrog algorithm. This should be tuned to get an acceptance fraction of ~.65. |
.02
|
sample_which
|
int
|
Sets which parameters to sample.
If this is >= 0 then we will sample which ever parameters were
fit in that round of fitting.
If this is -1 then we will sample which ever parameters were fit
in the last round of fitting.
If this is -2 then any parameters that were ever fit will be sampled.
If this is <= -3 or >= |
-1,
|
burn_in
|
float
|
Fractional burn-in period of samples to discard |
0.1
|
max_tries
|
int
|
Number of tries to tune step size that will be attemted. If 0 no tuning will be run. |
10
|
Returns:
| Name | Type | Description |
|---|---|---|
metamodel |
MetaModel
|
The metamodel with MCMC estimated parameters and errors. The parameters are estimated as the mean of the samples. The errors are estimated as the standard deviation. This also has the chi-squared of the estimated parameters. |
flat_samples |
Array
|
Array of samples from running MCMC. |
Source code in witch/fitting.py
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