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8.93 kB
| import torch | |
| import torch.nn as nn | |
| import torch.nn.functional as F | |
| import numpy as np | |
| from onescience.modules.equivariant.group_conv import GroupEquivariantConv2d | |
| from onescience.modules.fourier.group_spectral import GSpectralConv2d | |
| from onescience.modules.mlp.GMLP import GroupEquivariantMLP2d | |
| from onescience.modules.mlp.MLP import StandardMLP | |
| from onescience.modules.embedding import timestep_embedding, unified_pos_embedding | |
| from onescience.modules.fourier.geo_spectral import GeoSpectralConv2d, IPHI | |
| class GNorm(nn.Module): | |
| def __init__(self, width, group_size): | |
| super().__init__() | |
| self.group_size = group_size | |
| self.norm = torch.nn.InstanceNorm3d(width) | |
| def forward(self, x): | |
| # x shape: (B, C*Group, H, W) -> (B, C, Group, H, W) | |
| x = x.view(x.shape[0], -1, self.group_size, x.shape[-2], x.shape[-1]) | |
| x = self.norm(x) | |
| x = x.view(x.shape[0], -1, x.shape[-2], x.shape[-1]) | |
| return x | |
| class Model(nn.Module): | |
| """ | |
| GFNO (Group Factorized Neural Operator) 模型。 | |
| """ | |
| def __init__(self, args, device, s1=96, s2=96): | |
| super(Model, self).__init__() | |
| self.__name__ = "GFNO" | |
| self.args = args | |
| self.device = device | |
| self.in_channels = args.fun_dim | |
| self.out_channels = args.out_dim | |
| self.modes = args.modes | |
| self.width = args.n_hidden | |
| reflection = False | |
| # 1. Embedding & Preprocessing | |
| if args.unified_pos and args.geotype != "unstructured": | |
| self.pos = unified_pos_embedding(args.shapelist, args.ref, device=device) | |
| in_dim = args.fun_dim + args.ref ** len(args.shapelist) | |
| else: | |
| in_dim = args.fun_dim + args.space_dim | |
| self.preprocess = StandardMLP( | |
| input_dim=in_dim, | |
| output_dim=args.n_hidden, | |
| hidden_dims=[args.n_hidden * 2], | |
| activation=args.act, | |
| use_bias=True | |
| ) | |
| # 2. Time Embedding | |
| if args.time_input: | |
| self.time_fc = nn.Sequential( | |
| nn.Linear(args.n_hidden, args.n_hidden), | |
| nn.SiLU(), | |
| nn.Linear(args.n_hidden, args.n_hidden), | |
| ) | |
| else: | |
| self.time_fc = None | |
| # 3. Geometry Projection & Output Heads | |
| if args.geotype == "unstructured": | |
| self.group_size = 4 * (1 + reflection) | |
| self.fftproject_in = GeoSpectralConv2d( | |
| in_channels=args.n_hidden, | |
| out_channels=args.n_hidden, | |
| modes1=args.modes, | |
| modes2=args.modes, | |
| s1=s1, | |
| s2=s2, | |
| ) | |
| self.fftproject_out = GeoSpectralConv2d( | |
| in_channels=self.width * self.group_size, | |
| out_channels=self.width, | |
| modes1=args.modes, | |
| modes2=args.modes, | |
| s1=s1, | |
| s2=s2, | |
| ) | |
| self.iphi = IPHI() | |
| grid_h, grid_w = s1, s2 | |
| self.point_q = nn.Sequential( | |
| nn.Linear(self.width, self.width * 4), | |
| nn.GELU(), | |
| nn.Linear(self.width * 4, self.out_channels), | |
| ) | |
| else: | |
| grid_h, grid_w = args.shapelist | |
| # 结构化输出头 (Explicit instantiation) | |
| self.q = GroupEquivariantMLP2d( | |
| in_channels=self.width, | |
| out_channels=self.out_channels, | |
| mid_channels=self.width * 4, | |
| reflection=reflection, | |
| last_layer=True, | |
| ) | |
| self.padding = [(16 - size % 16) % 16 for size in [grid_h, grid_w]] | |
| # 4. GFNO Stem Layers | |
| # Lifting Layer | |
| self.p = GroupEquivariantConv2d( | |
| in_channels=args.n_hidden, | |
| out_channels=self.width, | |
| kernel_size=1, | |
| reflection=reflection, | |
| first_layer=True, | |
| ) | |
| # Spectral Layers | |
| self.conv0 = GSpectralConv2d(in_channels=self.width, out_channels=self.width, modes=self.modes, reflection=reflection) | |
| self.conv1 = GSpectralConv2d(in_channels=self.width, out_channels=self.width, modes=self.modes, reflection=reflection) | |
| self.conv2 = GSpectralConv2d(in_channels=self.width, out_channels=self.width, modes=self.modes, reflection=reflection) | |
| self.conv3 = GSpectralConv2d(in_channels=self.width, out_channels=self.width, modes=self.modes, reflection=reflection) | |
| self.mlp0 = GroupEquivariantMLP2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| mid_channels=self.width, | |
| reflection=reflection | |
| ) | |
| self.mlp1 = GroupEquivariantMLP2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| mid_channels=self.width, | |
| reflection=reflection | |
| ) | |
| self.mlp2 = GroupEquivariantMLP2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| mid_channels=self.width, | |
| reflection=reflection | |
| ) | |
| self.mlp3 = GroupEquivariantMLP2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| mid_channels=self.width, | |
| reflection=reflection | |
| ) | |
| # Residual Weights (1x1 GConv) | |
| self.w0 = GroupEquivariantConv2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| kernel_size=1, | |
| reflection=reflection | |
| ) | |
| self.w1 = GroupEquivariantConv2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| kernel_size=1, | |
| reflection=reflection | |
| ) | |
| self.w2 = GroupEquivariantConv2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| kernel_size=1, | |
| reflection=reflection | |
| ) | |
| self.w3 = GroupEquivariantConv2d( | |
| in_channels=self.width, | |
| out_channels=self.width, | |
| kernel_size=1, | |
| reflection=reflection | |
| ) | |
| self.norm = GNorm(self.width, group_size=4 * (1 + reflection)) | |
| def _gfno_stem_forward(self, x): | |
| # x: (B, C, H, W) | |
| x = self.p(x) # Lifting | |
| # 4 Layers | |
| x1 = self.norm(self.conv0(self.norm(x))) | |
| x1 = self.mlp0(x1) | |
| x = F.gelu(x1 + self.w0(x)) | |
| x1 = self.norm(self.conv1(self.norm(x))) | |
| x1 = self.mlp1(x1) | |
| x = F.gelu(x1 + self.w1(x)) | |
| x1 = self.norm(self.conv2(self.norm(x))) | |
| x1 = self.mlp2(x1) | |
| x = F.gelu(x1 + self.w2(x)) | |
| x1 = self.norm(self.conv3(self.norm(x))) | |
| x1 = self.mlp3(x1) | |
| x = x1 + self.w3(x) | |
| return x | |
| def structured_geo(self, x, fx, T=None): | |
| B, N, _ = x.shape | |
| if self.args.unified_pos: | |
| pos = self.pos.repeat(B, 1, 1) | |
| feats = torch.cat([pos, fx], dim=-1) if fx is not None else pos | |
| else: | |
| feats = torch.cat([x, fx], dim=-1) if fx is not None else x | |
| feats = self.preprocess(feats) | |
| if (T is not None) and (self.time_fc is not None): | |
| t_emb = timestep_embedding(T, self.args.n_hidden) | |
| t_emb = self.time_fc(t_emb) | |
| if t_emb.ndim == 2: | |
| t_emb = t_emb.unsqueeze(1) | |
| feats = feats + t_emb # Broadcast | |
| H, W = self.args.shapelist | |
| xg = feats.permute(0, 2, 1).reshape(B, self.args.n_hidden, H, W) | |
| if not all(p == 0 for p in self.padding): | |
| xg = F.pad(xg, [0, self.padding[1], 0, self.padding[0]]) | |
| xg = self._gfno_stem_forward(xg) | |
| if not all(p == 0 for p in self.padding): | |
| xg = xg[..., : -self.padding[0], : -self.padding[1]] | |
| xg = self.q(xg) | |
| out = xg.reshape(B, self.out_channels, -1).permute(0, 2, 1) | |
| return out | |
| def unstructured_geo(self, x, fx, T=None): | |
| B, N, _ = x.shape | |
| feats = torch.cat([x, fx], dim=-1) if fx is not None else x | |
| feats = self.preprocess(feats) | |
| if (T is not None) and (self.time_fc is not None): | |
| t_emb = timestep_embedding(T, self.args.n_hidden) | |
| t_emb = self.time_fc(t_emb) | |
| if t_emb.ndim == 2: | |
| t_emb = t_emb.unsqueeze(1) | |
| feats = feats + t_emb | |
| xg = self.fftproject_in( | |
| feats.permute(0, 2, 1), x_in=x, iphi=self.iphi, code=None | |
| ) | |
| xg = self._gfno_stem_forward(xg) | |
| xp = self.fftproject_out(xg, x_out=x, iphi=self.iphi, code=None).permute( | |
| 0, 2, 1 | |
| ) | |
| out = self.point_q(xp) | |
| return out | |
| def forward(self, x, fx=None, T=None, geo=None): | |
| if self.args.geotype == "unstructured": | |
| return self.unstructured_geo(x, fx, T) | |
| else: | |
| return self.structured_geo(x, fx, T) | |