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prevent lattice squishing by sampling from a cuboid #73

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@curtischong curtischong commented Apr 17, 2024

the main problem is that when t is 200, the noise can really squish the lattice.
ideally, the noise we add won't make the lattice that squished.
however, even a few extra degrees can make the lattice really squished.

I think training the model to predict the volume of the final lattice will help it learn to not be stuck in quished lattices for 100 steps?


After only changing the mean in the forward pass, here are my findings:

  • when sampling, the lattices are too big (maybe I need to update the reverse process, but I don't know enough math to derive it
  • the lattie diffusion is very smooth. like it barely changes (which is a concern), it should have more variation at least during higher t

@curtischong curtischong force-pushed the prevent-lattice-squishing branch from 1a4f0f6 to 9e97704 Compare April 17, 2024 18:37
@curtischong curtischong changed the title wip prevent lattice squishing prevent lattice squishing by sampling from a cuboid Apr 17, 2024
@curtischong curtischong force-pushed the prevent-lattice-squishing branch 2 times, most recently from 621b252 to ba0789f Compare April 18, 2024 03:35
@curtischong curtischong force-pushed the prevent-lattice-squishing branch from 85fa933 to 7b78029 Compare April 30, 2024 02:41
updated equations to match the mattergen mean and variance

function to visualize the new lattice relative to the original lattice

more wip

correctly sample the mean lattice

code to find the max/min angles

print quantiles

works very well

add back visualizations when checking

revert back to original variance sampling

documentation for v

fix forward pass

put identity matrix on the same device

add back square root on variance to match ddpm. I think the mattergen's variance is wrong

only adjust the mean, keep the variance the same

update jupyter notebook
@curtischong curtischong force-pushed the prevent-lattice-squishing branch from 7b78029 to 2b0e002 Compare April 30, 2024 02:44
@curtischong curtischong force-pushed the prevent-lattice-squishing branch from 6a5ad73 to 54bcd51 Compare April 30, 2024 04:21
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