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hybrid.SplatComposerdoes not sort output samples by energy
subsequent hybrid.ArgMin with the default key="samples.first.energy" might not pick the best sample by energy
easily fixed by sorting after compose, with e.g: hybrid.SliceSamples(), or a more explicit hybrid.SliceSamples(sorted_by='energy').
hybrid.SplatComposerdoes not sort input subsamples by energy before composing with a smaller samples set
if subsamples generator does not produce sorted sampleset, and is seeded by, say, a single initial state, the output sampleset (containing just one sample) might not be the best
easily "fixed" by sorting subsamples generator output
but a better fix might be to explode the input sample with hybrid.AggregatedSamples(aggregate=False) before composing with Splat, followed by a truncate with hybrid.SliceSamples(1). So, something like:
Note:
hybrid.SplatComposer
does not sort output samples by energyhybrid.ArgMin
with the defaultkey="samples.first.energy"
might not pick the best sample by energyhybrid.SliceSamples()
, or a more explicithybrid.SliceSamples(sorted_by='energy')
.hybrid.SplatComposer
does not sort input subsamples by energy before composing with a smaller samples setif subsamples generator does not produce sorted sampleset, and is seeded by, say, a single initial state, the output sampleset (containing just one sample) might not be the best
easily "fixed" by sorting subsamples generator output
but a better fix might be to explode the input sample with
hybrid.AggregatedSamples(aggregate=False)
before composing with Splat, followed by a truncate withhybrid.SliceSamples(1)
. So, something like:would make sure the best sample is generated, accounting for boundary conditions.
(Originally raised offline by @jackraymond)
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