Pytorch implementation of a simple way to enable (Stochastic) Frame Averaging for any network. This technique was recently adopted by Prescient Design in AbDiffuser
$ pip install frame-averaging-pytorchimport torch
from frame_averaging_pytorch import FrameAverage
# contrived neural network
net = torch.nn.Linear(3, 3)
# wrap the network with FrameAverage
net = FrameAverage(
net,
dim = 3, # defaults to 3 for spatial, but can be any value
stochastic = True # whether to use stochastic variant from FAENet (one frame sampled at random)
)
# pass your input to the network as usual
points = torch.randn(4, 1024, 3)
mask = torch.ones(4, 1024).bool()
out = net(points, frame_average_mask = mask)
out.shape # (4, 1024, 3)
# frame averaging is automatically taken care of, as though the network were unwrappedor you can also carry it out manually
import torch
from frame_averaging_pytorch import FrameAverage
# contrived neural network
net = torch.nn.Linear(3, 3)
# frame average module without passing in network
fa = FrameAverage()
# pass the 3d points and mask to FrameAverage forward
points = torch.randn(4, 1024, 3)
mask = torch.ones(4, 1024).bool()
framed_inputs, frame_average_fn = fa(points, frame_average_mask = mask)
# network forward
net_out = net(framed_inputs)
# frame average
frame_averaged = frame_average_fn(net_out)
frame_averaged.shape # (4, 1024, 3)@article{Puny2021FrameAF,
title = {Frame Averaging for Invariant and Equivariant Network Design},
author = {Omri Puny and Matan Atzmon and Heli Ben-Hamu and Edward James Smith and Ishan Misra and Aditya Grover and Yaron Lipman},
journal = {ArXiv},
year = {2021},
volume = {abs/2110.03336},
url = {https://api.semanticscholar.org/CorpusID:238419638}
}@article{Duval2023FAENetFA,
title = {FAENet: Frame Averaging Equivariant GNN for Materials Modeling},
author = {Alexandre Duval and Victor Schmidt and Alex Hernandez Garcia and Santiago Miret and Fragkiskos D. Malliaros and Yoshua Bengio and David Rolnick},
journal = {ArXiv},
year = {2023},
volume = {abs/2305.05577},
url = {https://api.semanticscholar.org/CorpusID:258564608}
}
