# SPDX-FileCopyrightText: Copyright (c) 2023 NVIDIA CORPORATION & AFFILIATES. # SPDX-FileCopyrightText: All rights reserved. # SPDX-License-Identifier: Apache-2.0 # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, software # distributed under the License is distributed on an "AS IS" BASIS, # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. import math import warnings import torch import torch.fft import torch.nn as nn import torch.nn.functional as F from torch.cuda import amp from torch.utils.checkpoint import checkpoint from torch_harmonics import * # noqa from fcnv2_activations import ComplexReLU # noqa from fcnv2_contractions import ( compl_contract2d_fwd, compl_contract2d_fwd_c, compl_contract_fwd, compl_contract_fwd_c, compl_mul2d_fwd, compl_mul2d_fwd_c, compl_muladd2d_fwd, compl_muladd2d_fwd_c, contract_tt, ) def _no_grad_trunc_normal_(tensor, mean, std, a, b): # Cut & paste from PyTorch official master until it's in a few official releases - RW # Method based on https://people.sc.fsu.edu/~jburkardt/presentations/truncated_normal.pdf def norm_cdf(x): # Computes standard normal cumulative distribution function return (1.0 + math.erf(x / math.sqrt(2.0))) / 2.0 if (mean < a - 2 * std) or (mean > b + 2 * std): warnings.warn( "mean is more than 2 std from [a, b] in nn.init.trunc_normal_. " "The distribution of values may be incorrect.", stacklevel=2, ) with torch.no_grad(): # Values are generated by using a truncated uniform distribution and # then using the inverse CDF for the normal distribution. # Get upper and lower cdf values l = norm_cdf((a - mean) / std) # noqa u = norm_cdf((b - mean) / std) # Uniformly fill tensor with values from [l, u], then translate to # [2l-1, 2u-1]. tensor.uniform_(2 * l - 1, 2 * u - 1) # Use inverse cdf transform for normal distribution to get truncated # standard normal tensor.erfinv_() # Transform to proper mean, std tensor.mul_(std * math.sqrt(2.0)) tensor.add_(mean) # Clamp to ensure it's in the proper range tensor.clamp_(min=a, max=b) return tensor def trunc_normal_(tensor, mean=0.0, std=1.0, a=-2.0, b=2.0): r"""Fills the input Tensor with values drawn from a truncated normal distribution. The values are effectively drawn from the normal distribution :math:`\mathcal{N}(\text{mean}, \text{std}^2)` with values outside :math:`[a, b]` redrawn until they are within the bounds. The method used for generating the random values works best when :math:`a \leq \text{mean} \leq b`. Args: tensor: an n-dimensional `torch.Tensor` mean: the mean of the normal distribution std: the standard deviation of the normal distribution a: the minimum cutoff value b: the maximum cutoff value Examples: >>> w = torch.empty(3, 5) >>> nn.init.trunc_normal_(w) """ return _no_grad_trunc_normal_(tensor, mean, std, a, b) @torch.jit.script def drop_path( x: torch.Tensor, drop_prob: float = 0.0, training: bool = False ) -> torch.Tensor: """Drop paths (Stochastic Depth) per sample (when applied in main path of residual blocks). This is the same as the DropConnect impl I created for EfficientNet, etc networks, however, the original name is misleading as 'Drop Connect' is a different form of dropout in a separate paper... See discussion: https://github.com/tensorflow/tpu/issues/494#issuecomment-532968956 ... I've opted for changing the layer and argument names to 'drop path' rather than mix DropConnect as a layer name and use 'survival rate' as the argument. """ if drop_prob == 0.0 or not training: return x keep_prob = 1.0 - drop_prob shape = (x.shape[0],) + (1,) * ( x.ndim - 1 ) # work with diff dim tensors, not just 2d ConvNets random_tensor = keep_prob + torch.rand(shape, dtype=x.dtype, device=x.device) random_tensor.floor_() # binarize output = x.div(keep_prob) * random_tensor return output class DropPath(nn.Module): """Drop paths (Stochastic Depth) per sample (when applied in main path of residual blocks).""" def __init__(self, drop_prob=None): super(DropPath, self).__init__() self.drop_prob = drop_prob def forward(self, x): return drop_path(x, self.drop_prob, self.training) class PatchEmbed(nn.Module): def __init__( self, img_size=(224, 224), patch_size=(16, 16), in_chans=3, embed_dim=768 ): super(PatchEmbed, self).__init__() num_patches = (img_size[1] // patch_size[1]) * (img_size[0] // patch_size[0]) self.img_size = img_size self.patch_size = patch_size self.num_patches = num_patches self.proj = nn.Conv2d( in_chans, embed_dim, kernel_size=patch_size, stride=patch_size ) def forward(self, x): # gather input B, C, H, W = x.shape assert ( # noqa H == self.img_size[0] and W == self.img_size[1] ), f"Input image size ({H}*{W}) doesn't match model ({self.img_size[0]}*{self.img_size[1]})." # new: B, C, H*W x = self.proj(x).flatten(2) return x class MLP(nn.Module): def __init__( self, in_features, hidden_features=None, out_features=None, act_layer=nn.GELU, output_bias=True, drop_rate=0.0, checkpointing=False, ): super(MLP, self).__init__() self.checkpointing = checkpointing out_features = out_features or in_features hidden_features = hidden_features or in_features fc1 = nn.Conv2d(in_features, hidden_features, 1, bias=True) act = act_layer() fc2 = nn.Conv2d(hidden_features, out_features, 1, bias=output_bias) if drop_rate > 0.0: drop = nn.Dropout(drop_rate) self.fwd = nn.Sequential(fc1, act, drop, fc2, drop) else: self.fwd = nn.Sequential(fc1, act, fc2) @torch.jit.ignore def checkpoint_forward(self, x): return checkpoint(self.fwd, x) def forward(self, x): if self.checkpointing: return self.checkpoint_forward(x) else: return self.fwd(x) class RealFFT2(nn.Module): """ Helper routine to wrap FFT similarly to the SHT """ def __init__(self, nlat, nlon, lmax=None, mmax=None): super(RealFFT2, self).__init__() self.nlat = nlat self.nlon = nlon self.lmax = lmax or self.nlat self.mmax = mmax or self.nlon // 2 + 1 self.num_batches = 1 assert self.lmax % 2 == 0 # noqa def forward(self, x): # do batched FFT xs = torch.split(x, x.shape[1] // self.num_batches, dim=1) ys = [] for xt in xs: yt = torch.fft.rfft2(xt, dim=(-2, -1), norm="ortho") ys.append( torch.cat( ( yt[..., : math.ceil(self.lmax / 2), : self.mmax], yt[..., -math.floor(self.lmax / 2) :, : self.mmax], ), dim=-2, ) ) # connect y = torch.cat(ys, dim=1).contiguous() # y = torch.fft.rfft2(x, dim=(-2, -1), norm="ortho") # y = torch.cat((y[..., :math.ceil(self.lmax/2), :self.mmax], y[..., -math.floor(self.lmax/2):, :self.mmax]), dim=-2) return y class InverseRealFFT2(nn.Module): """ Helper routine to wrap FFT similarly to the SHT """ def __init__(self, nlat, nlon, lmax=None, mmax=None): super(InverseRealFFT2, self).__init__() self.nlat = nlat self.nlon = nlon self.lmax = lmax or self.nlat self.mmax = mmax or self.nlon // 2 + 1 self.num_batches = 1 def forward(self, x): # do batched FFT xs = torch.split(x, x.shape[1] // self.num_batches, dim=1) ys = [] for xt in xs: ys.append( torch.fft.irfft2( xt, dim=(-2, -1), s=(self.nlat, self.nlon), norm="ortho" ) ) out = torch.cat(ys, dim=1).contiguous() # out = torch.fft.irfft2(x, dim=(-2, -1), s=(self.nlat, self.nlon), norm="ortho") return out class SpectralConv2d(nn.Module): """ Spectral Convolution as utilized in """ def __init__( self, forward_transform, inverse_transform, hidden_size, sparsity_threshold=0.0, hard_thresholding_fraction=1, use_complex_kernels=False, compression=None, rank=0, bias=False, ): super(SpectralConv2d, self).__init__() self.hidden_size = hidden_size self.sparsity_threshold = sparsity_threshold self.hard_thresholding_fraction = hard_thresholding_fraction self.scale = 1 / hidden_size**2 self.contract_handle = ( compl_contract2d_fwd_c if use_complex_kernels else compl_contract2d_fwd ) self.forward_transform = forward_transform self.inverse_transform = inverse_transform self.output_dims = (self.inverse_transform.nlat, self.inverse_transform.nlon) modes_lat = self.inverse_transform.lmax modes_lon = self.inverse_transform.mmax self.modes_lat = int(modes_lat * self.hard_thresholding_fraction) self.modes_lon = int(modes_lon * self.hard_thresholding_fraction) # new simple linear layer self.w = nn.Parameter( self.scale * torch.randn( self.hidden_size, self.hidden_size, self.modes_lat, self.modes_lon, 2 ) ) # optional bias if bias: self.b = nn.Parameter( self.scale * torch.randn(1, self.hidden_size, *self.output_dims) ) def forward(self, x): dtype = x.dtype # x = x.float() B, C, H, W = x.shape with amp.autocast(enabled=False): x = x.to(torch.float32) x = self.forward_transform(x) x = torch.view_as_real(x) x = x.to(dtype) # do spectral conv modes = torch.zeros(x.shape, device=x.device) # modes[:, :, :self.modes_lat, :self.modes_lon, :] = self.contract_handle(x[:, :, :self.modes_lat, :self.modes_lon, :], self.wh) # modes[:, :, -self.modes_lat:, :self.modes_lon, :] = self.contract_handle(x[:, :, -self.modes_lat:, :self.modes_lon, :], self.wl) modes = self.contract_handle(x, self.w) # finalize x = F.softshrink(modes, lambd=self.sparsity_threshold) x = torch.view_as_complex(x) with amp.autocast(enabled=False): x = x.to(torch.float32) x = torch.view_as_complex(x) x = self.inverse_transform(x) x = x.to(dtype) if hasattr(self, "b"): x = x + self.b return x class SpectralConvS2(nn.Module): """ Spectral Convolution as utilized in """ def __init__( self, forward_transform, inverse_transform, hidden_size, sparsity_threshold=0.0, use_complex_kernels=False, compression=None, rank=128, bias=False, ): super(SpectralConvS2, self).__init__() self.hidden_size = hidden_size self.sparsity_threshold = sparsity_threshold self.scale = 0.02 self.forward_transform = forward_transform self.inverse_transform = inverse_transform self.modes_lat = self.forward_transform.lmax self.modes_lon = self.forward_transform.mmax assert self.inverse_transform.lmax == self.modes_lat # noqa assert self.inverse_transform.mmax == self.modes_lon # noqa # remember the lower triangular indices ii, jj = torch.tril_indices(self.modes_lat, self.modes_lon) self.register_buffer("ii", ii) self.register_buffer("jj", jj) if compression == "tt": self.rank = rank # tensortrain coefficients g1 = nn.Parameter(self.scale * torch.randn(self.hidden_size, self.rank, 2)) g2 = nn.Parameter( self.scale * torch.randn(self.rank, self.hidden_size, self.rank, 2) ) g3 = nn.Parameter(self.scale * torch.randn(self.rank, len(ii), 2)) self.w = nn.ParameterList([g1, g2, g3]) self.contract_handle = ( contract_tt # if use_complex_kernels else raise(NotImplementedError) ) else: self.w = nn.Parameter( self.scale * torch.randn(self.hidden_size, self.hidden_size, len(ii), 2) ) self.contract_handle = ( compl_contract_fwd_c if use_complex_kernels else compl_contract_fwd ) if bias: self.b = nn.Parameter( self.scale * torch.randn(1, self.hidden_size, *self.output_dims) ) def forward(self, x): dtype = x.dtype # x = x.float() B, C, H, W = x.shape with amp.autocast(enabled=False): x = x.to(torch.float32) x = self.forward_transform(x) x = torch.view_as_real(x) x = x.to(dtype) # Populate the sparse spectral grid without an in-place write. The # latter breaks autograd under multi-process DDP on some HIP builds. spectral_height, spectral_width = x.shape[2:4] contracted = self.contract_handle( x[:, :, self.ii, self.jj, :], self.w ) spectral_indices = self.ii * spectral_width + self.jj modes = torch.zeros_like(x).reshape( B, C, spectral_height * spectral_width, 2 ).index_copy( 2, spectral_indices, contracted ) modes = modes.view_as(x) # finalize x = F.softshrink(modes, lambd=self.sparsity_threshold) with amp.autocast(enabled=False): x = x.to(torch.float32) x = torch.view_as_complex(x) x = self.inverse_transform(x) x = x.to(dtype) if hasattr(self, "b"): x = x + self.b return x class SpectralAttention2d(nn.Module): """ 2d Spectral Attention layer """ def __init__( self, forward_transform, inverse_transform, embed_dim, sparsity_threshold=0.0, hidden_size_factor=2, use_complex_network=True, use_complex_kernels=False, complex_activation="real", bias=False, spectral_layers=1, drop_rate=0.0, ): super(SpectralAttention2d, self).__init__() self.embed_dim = embed_dim self.sparsity_threshold = sparsity_threshold self.hidden_size = int(hidden_size_factor * self.embed_dim) self.scale = 0.02 self.spectral_layers = spectral_layers self.mul_add_handle = ( compl_muladd2d_fwd_c if use_complex_kernels else compl_muladd2d_fwd ) self.mul_handle = compl_mul2d_fwd_c if use_complex_kernels else compl_mul2d_fwd self.modes_lat = forward_transform.lmax self.modes_lon = forward_transform.mmax # only storing the forward handle to be able to call it self.forward_transform = forward_transform.forward self.inverse_transform = inverse_transform.forward assert inverse_transform.lmax == self.modes_lat # noqa assert inverse_transform.mmax == self.modes_lon # noqa # weights w = [self.scale * torch.randn(self.embed_dim, self.hidden_size, 2)] # w = [self.scale * torch.randn(self.embed_dim + 2*self.embed_freqs, self.hidden_size, 2)] # w = [self.scale * torch.randn(self.embed_dim + 4*self.embed_freqs, self.hidden_size, 2)] for l in range(1, self.spectral_layers): w.append(self.scale * torch.randn(self.hidden_size, self.hidden_size, 2)) self.w = nn.ParameterList(w) if bias: self.b = nn.ParameterList( [ self.scale * torch.randn(self.hidden_size, 1, 2) for _ in range(self.spectral_layers) ] ) self.wout = nn.Parameter( self.scale * torch.randn(self.hidden_size, self.embed_dim, 2) ) self.drop = nn.Dropout(drop_rate) if drop_rate > 0.0 else nn.Identity() self.activation = ComplexReLU( mode=complex_activation, bias_shape=(self.hidden_size, 1, 1) ) def forward_mlp(self, xr): for l in range(self.spectral_layers): if hasattr(self, "b"): xr = self.mul_add_handle( xr, self.w[l].to(xr.dtype), self.b[l].to(xr.dtype) ) else: xr = self.mul_handle(xr, self.w[l].to(xr.dtype)) xr = torch.view_as_complex(xr) xr = self.activation(xr) xr = self.drop(xr) xr = torch.view_as_real(xr) xr = self.mul_handle(xr, self.wout) return xr def forward(self, x): dtype = x.dtype # x = x.to(torch.float32) # FWD transform with amp.autocast(enabled=False): x = x.to(torch.float32) x = self.forward_transform(x) x = torch.view_as_real(x) # MLP x = self.forward_mlp(x) # BWD transform with amp.autocast(enabled=False): x = torch.view_as_complex(x) x = self.inverse_transform(x) x = x.to(dtype) return x class SpectralAttentionS2(nn.Module): """ geometrical Spectral Attention layer """ def __init__( self, forward_transform, inverse_transform, embed_dim, sparsity_threshold=0.0, hidden_size_factor=2, use_complex_network=True, use_complex_kernels=False, complex_activation="real", bias=False, spectral_layers=1, drop_rate=0.0, ): super(SpectralAttentionS2, self).__init__() self.embed_dim = embed_dim self.sparsity_threshold = sparsity_threshold self.hidden_size = int(hidden_size_factor * self.embed_dim) self.scale = 0.02 # self.mul_add_handle = compl_muladd1d_fwd_c if use_complex_kernels else compl_muladd1d_fwd self.mul_add_handle = ( compl_muladd2d_fwd_c if use_complex_kernels else compl_muladd2d_fwd ) # self.mul_handle = compl_mul1d_fwd_c if use_complex_kernels else compl_mul1d_fwd self.mul_handle = compl_mul2d_fwd_c if use_complex_kernels else compl_mul2d_fwd self.spectral_layers = spectral_layers self.modes_lat = forward_transform.lmax self.modes_lon = forward_transform.mmax # only storing the forward handle to be able to call it self.forward_transform = forward_transform.forward self.inverse_transform = inverse_transform.forward assert inverse_transform.lmax == self.modes_lat # noqa assert inverse_transform.mmax == self.modes_lon # noqa # weights w = [self.scale * torch.randn(self.embed_dim, self.hidden_size, 2)] # w = [self.scale * torch.randn(self.embed_dim + 4*self.embed_freqs, self.hidden_size, 2)] for l in range(1, self.spectral_layers): w.append(self.scale * torch.randn(self.hidden_size, self.hidden_size, 2)) self.w = nn.ParameterList(w) if bias: self.b = nn.ParameterList( [ self.scale * torch.randn(2 * self.hidden_size, 1, 1, 2) for _ in range(self.spectral_layers) ] ) self.wout = nn.Parameter( self.scale * torch.randn(self.hidden_size, self.embed_dim, 2) ) self.drop = nn.Dropout(drop_rate) if drop_rate > 0.0 else nn.Identity() self.activation = ComplexReLU( mode=complex_activation, bias_shape=(self.hidden_size, 1, 1) ) def forward_mlp(self, xr): for l in range(self.spectral_layers): if hasattr(self, "b"): xr = self.mul_add_handle( xr, self.w[l].to(xr.dtype), self.b[l].to(xr.dtype) ) else: xr = self.mul_handle(xr, self.w[l].to(xr.dtype)) xr = torch.view_as_complex(xr) xr = self.activation(xr) xr = self.drop(xr) xr = torch.view_as_real(xr) # final MLP xr = self.mul_handle(xr, self.wout) return xr def forward(self, x): dtype = x.dtype # x = x.to(torch.float32) # FWD transform with amp.autocast(enabled=False): x = x.to(torch.float32) x = self.forward_transform(x) x = torch.view_as_real(x) # MLP x = self.forward_mlp(x) # BWD transform with amp.autocast(enabled=False): x = torch.view_as_complex(x) x = self.inverse_transform(x) x = x.to(dtype) return x