import torch import math import torch.nn as nn import numpy as np import torch.nn.functional as F from onescience.modules.mlp.MLP import StandardMLP from onescience.modules.transformer.Neural_Spectral_Block import ( NeuralSpectralBlock1D, NeuralSpectralBlock2D, NeuralSpectralBlock3D, ) from onescience.modules.embedding import timestep_embedding, unified_pos_embedding from onescience.modules.fourier.geo_spectral import GeoSpectralConv2d, IPHI from onescience.modules.layer.unet_layer import ( DoubleConv1D, Down1D, Up1D, OutConv1D, DoubleConv2D, Down2D, Up2D, OutConv2D, DoubleConv3D, Down3D, Up3D, OutConv3D, ) ConvList = [None, DoubleConv1D, DoubleConv2D, DoubleConv3D] DownList = [None, Down1D, Down2D, Down3D] UpList = [None, Up1D, Up2D, Up3D] OutList = [None, OutConv1D, OutConv2D, OutConv3D] NeuralSpectralBlockList = [ None, NeuralSpectralBlock1D, NeuralSpectralBlock2D, NeuralSpectralBlock3D, ] class Model(nn.Module): """ LSM (Latent Spectral Model) 模型。 结合了 U-Net 的多尺度特征提取与 Neural Spectral Block (Latent Transformer) 的全局谱处理能力。 """ def __init__( self, args, device, bilinear=True, num_token=4, num_basis=12, s1=96, s2=96 ): super(Model, self).__init__() self.__name__ = "LSM" self.args = args if args.task == "steady": normtype = "bn" else: normtype = "in" # 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 ) 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 # 2. Geometry Projection if self.args.geotype == "unstructured": 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=args.n_hidden, out_channels=args.n_hidden, modes1=args.modes, modes2=args.modes, s1=s1, s2=s2 ) self.iphi = IPHI() patch_size = [(size + (16 - size % 16) % 16) // 16 for size in [s1, s2]] self.padding = [(16 - size % 16) % 16 for size in [s1, s2]] else: patch_size = [ (size + (16 - size % 16) % 16) // 16 for size in args.shapelist ] self.padding = [(16 - size % 16) % 16 for size in args.shapelist] # 3. Multiscale U-Net Modules # ----------------------------------------------------------- dim = len(patch_size) self.inc = ConvList[dim](args.n_hidden, args.n_hidden, normtype=normtype) self.down1 = DownList[dim](args.n_hidden, args.n_hidden * 2, normtype=normtype) self.down2 = DownList[dim](args.n_hidden * 2, args.n_hidden * 4, normtype=normtype) self.down3 = DownList[dim](args.n_hidden * 4, args.n_hidden * 8, normtype=normtype) factor = 2 if bilinear else 1 self.down4 = DownList[dim](args.n_hidden * 8, args.n_hidden * 16 // factor, normtype=normtype) self.up1 = UpList[dim](args.n_hidden * 16, args.n_hidden * 8 // factor, bilinear, normtype=normtype) self.up2 = UpList[dim](args.n_hidden * 8, args.n_hidden * 4 // factor, bilinear, normtype=normtype) self.up3 = UpList[dim](args.n_hidden * 4, args.n_hidden * 2 // factor, bilinear, normtype=normtype) self.up4 = UpList[dim](args.n_hidden * 2, args.n_hidden, bilinear, normtype=normtype) self.outc = OutList[dim](args.n_hidden, args.n_hidden) # 4. Patchified Neural Spectral Blocks block_class = NeuralSpectralBlockList[dim] self.process1 = block_class( width=args.n_hidden, num_basis=num_basis, patch_size=patch_size, num_token=num_token, n_heads=args.n_heads ) self.process2 = block_class( width=args.n_hidden * 2, num_basis=num_basis, patch_size=patch_size, num_token=num_token, n_heads=args.n_heads ) self.process3 = block_class( width=args.n_hidden * 4, num_basis=num_basis, patch_size=patch_size, num_token=num_token, n_heads=args.n_heads ) self.process4 = block_class( width=args.n_hidden * 8, num_basis=num_basis, patch_size=patch_size, num_token=num_token, n_heads=args.n_heads ) self.process5 = block_class( width=args.n_hidden * 16 // factor, num_basis=num_basis, patch_size=patch_size, num_token=num_token, n_heads=args.n_heads ) # 5. Projectors # ----------------------------------------------------------- self.fc1 = nn.Linear(args.n_hidden, args.n_hidden * 2) self.fc2 = nn.Linear(args.n_hidden * 2, args.out_dim) def structured_geo(self, x, fx, T=None): B, N, _ = x.shape if self.args.unified_pos: x = self.pos.repeat(x.shape[0], 1, 1) if fx is not None: fx = torch.cat((x, fx), -1) fx = self.preprocess(fx) else: fx = self.preprocess(x) if T is not None: Time_emb = timestep_embedding(T, self.args.n_hidden) Time_emb = self.time_fc(Time_emb) if Time_emb.ndim == 2: Time_emb = Time_emb.unsqueeze(1) fx = fx + Time_emb x = fx.permute(0, 2, 1).reshape(B, self.args.n_hidden, *self.args.shapelist) if not all(item == 0 for item in self.padding): pad_arg = [] for p in reversed(self.padding): pad_arg.extend([0, p]) x = F.pad(x, pad_arg) # LSM 核心处理流 x1 = self.inc(x) x2 = self.down1(x1) x3 = self.down2(x2) x4 = self.down3(x3) x5 = self.down4(x4) x = self.up1(self.process5(x5), self.process4(x4)) x = self.up2(x, self.process3(x3)) x = self.up3(x, self.process2(x2)) x = self.up4(x, self.process1(x1)) x = self.outc(x) if not all(item == 0 for item in self.padding): if len(self.args.shapelist) == 1: x = x[..., : -self.padding[0]] elif len(self.args.shapelist) == 2: x = x[..., : -self.padding[0], : -self.padding[1]] elif len(self.args.shapelist) == 3: x = x[..., : -self.padding[0], : -self.padding[1], : -self.padding[2]] x = x.reshape(B, self.args.n_hidden, -1).permute(0, 2, 1) x = self.fc1(x) x = F.gelu(x) x = self.fc2(x) return x def unstructured_geo(self, x, fx, T=None): original_pos = x if fx is not None: fx = torch.cat((x, fx), -1) fx = self.preprocess(fx) else: fx = self.preprocess(x) if T is not None: Time_emb = timestep_embedding(T, self.args.n_hidden) Time_emb = self.time_fc(Time_emb) if Time_emb.ndim == 2: Time_emb = Time_emb.unsqueeze(1) fx = fx + Time_emb x = self.fftproject_in( fx.permute(0, 2, 1), x_in=original_pos, iphi=self.iphi, code=None ) # LSM 核心处理流 x1 = self.inc(x) x2 = self.down1(x1) x3 = self.down2(x2) x4 = self.down3(x3) x5 = self.down4(x4) x = self.up1(self.process5(x5), self.process4(x4)) x = self.up2(x, self.process3(x3)) x = self.up3(x, self.process2(x2)) x = self.up4(x, self.process1(x1)) x = self.outc(x) x = self.fftproject_out( x, x_out=original_pos, iphi=self.iphi, code=None ).permute(0, 2, 1) x = self.fc1(x) x = F.gelu(x) x = self.fc2(x) return x def forward(self, x, fx, T=None, geo=None): if self.args.geotype == "unstructured": return self.unstructured_geo(x, fx, T) else: return self.structured_geo(x, fx, T)