use batched processing instead of processing by instance

[dkrako]

Currently all of the metrics are more or less structured by the following scheme:

x: array
y: array
a: array

for x_instance, y_instance, a_instance in zip(x, y, a):
    for perturbation_step in range(perturbation_steps):
        x_perturbed = perturb_instance(x_instance, a_instance, perturbation_step)
        y_perturbed = model(x_perturbed)
        score = calculate_score_for_instance(y_instance, y_perturbed)

The choice of perturb_instance arguments are just for simplicity, the code is of course more complex than presented.

But this kind of implementation doesn't use the performance benefits from batched model-prediction and vectorized numpy functions. Instead we could speed up computations by a magnitude if we would instead use the following approach:

x: array
y: array
a: array
batch_size: int

generator = BatchGenerator(x, y, a, batch_size)
for x_batch, y_batch, a_batch in next(generator):
    for perturbation_step in range(perturbation_steps):
        x_batch_perturbed = perturb_batch(x_batch, a_batch, perturbation_step)
        y_batch_perturbed = model(x_batch_perturbed)
        score = calculate_score_for_batch(y_batch, y_batch_perturbed)

Some of perturb_batch functions may need an inner for-loop again, but others could be computed on the whole batch for sure. Depending on the dataset size and model complexity, this should lead to significant improvements in performance.