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Architecture inductive bias #115

Merged
merged 14 commits into from
Jan 15, 2025
Merged

Architecture inductive bias #115

merged 14 commits into from
Jan 15, 2025

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rousseab
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@rousseab rousseab commented Jan 9, 2025

In this PR, I

  • modify the behavior of EGNN when normalize=True to try to avoid discontinuous jumps in the score.
  • I add an optional time dependent prefactor in the MLP architecture
  • I create a configurable sigma(t) schedule. The options are now exponential (what we have used so far) and linear.

@rousseab rousseab requested a review from sblackburn86 January 9, 2025 20:28
@sblackburn86 sblackburn86 merged commit 9362d77 into main Jan 15, 2025
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@sblackburn86 sblackburn86 deleted the architecture_inductive_bias branch January 15, 2025 20:09
@rousseab rousseab restored the architecture_inductive_bias branch January 31, 2025 18:29
@rousseab rousseab deleted the architecture_inductive_bias branch January 31, 2025 18:29
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2 participants