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import torch
import torch.nn as nn
import torch.nn.functional as F
from math import ceil
from mamba_ssm import Mamba
class Hamburger(nn.Module):
def __init__(self, inp, oup, reduction=32):
super(Hamburger, self).__init__()
self.pool_h = nn.AdaptiveAvgPool3d((1, None, None))
self.pool_w = nn.AdaptiveAvgPool3d((None, 1, None))
self.pool_d = nn.AdaptiveAvgPool3d((None, None, 1))
mip = max(8, inp // reduction)
self.conv1 = nn.Conv3d(inp, mip, kernel_size=1, stride=1, padding=0)
self.conv2 = nn.Conv3d(inp, mip, kernel_size=1, stride=1, padding=0)
self.conv3 = nn.Conv3d(inp, mip, kernel_size=1, stride=1, padding=0)
self.gn1 = nn.GroupNorm(8, mip)
self.gn2 = nn.GroupNorm(8, mip)
self.gn3 = nn.GroupNorm(8, mip)
self.act = nn.LeakyReLU(0.2)
self.conv_h = nn.Conv3d(mip, oup, kernel_size=1, stride=1, padding=0)
self.conv_w = nn.Conv3d(mip, oup, kernel_size=1, stride=1, padding=0)
self.conv_d = nn.Conv3d(mip, oup, kernel_size=1, stride=1, padding=0)
def forward(self, x):
n, c, h, w, d = x.size()
x_h = self.pool_h(x)
# print(x_h.shape)
x_w = self.pool_w(x).permute(0, 1, 3, 2, 4)
# print(x_w.shape)
x_d = self.pool_d(x).permute(0, 1, 4, 2, 3)
# print(x_d.shape)
y_hwd = torch.cat([x_h, x_w, x_d], dim=2)
# y_hd = torch.cat([x_h, x_d], dim=2)
# y_dw = torch.cat([x_d, x_w], dim=2)
y_hwd = self.conv1(y_hwd)
# y_hd = self.conv2(y_hd)
# y_dw = self.conv3(y_dw)
y_hwd = self.gn1(y_hwd)
# y_hd = self.gn2(y_hd)
# y_dw = self.gn3(y_dw)
y_hwd = self.act(y_hwd)
# y_hd = self.act(y_hd)
# y_dw = self.act(y_dw)
# print(y_hwd.shape)
x_h, x_w, x_d = torch.split(y_hwd, [1, 1, 1], dim=2)
x_w = x_w
x_h = x_h.permute(0, 1, 3, 2, 4)
x_d = x_d.permute(0, 1, 3, 4, 2)
a_h = self.conv_h(x_h).sigmoid()
a_w = self.conv_w(x_w).sigmoid()
a_d = self.conv_d(x_d).sigmoid()
a_hw = a_w * a_h
out = a_hw * a_d
return out + x
class BasicBlock3D(nn.Module):
expansion = 1
def __init__(self, in_channels, out_channels, stride=1, downsample=None):
super(BasicBlock3D, self).__init__()
self.conv1 = nn.Conv3d(in_channels, out_channels, kernel_size=3,
stride=stride, padding=1, bias=False)
self.bn1 = nn.BatchNorm3d(out_channels)
self.relu = nn.ReLU(inplace=True)
self.conv2 = nn.Conv3d(out_channels, out_channels, kernel_size=3,
stride=1, padding=1, bias=False)
self.bn2 = nn.BatchNorm3d(out_channels)
self.downsample = downsample
self.stride = stride
def forward(self, x):
identity = x
out = self.conv1(x)
out = self.bn1(out)
out = self.relu(out)
out = self.conv2(out)
out = self.bn2(out)
if self.downsample is not None:
identity = self.downsample(x)
out += identity
out = self.relu(out)
return out
class Bottleneck3D(nn.Module):
expansion = 4
def __init__(self, in_channels, out_channels, stride=1, downsample=None):
super(Bottleneck3D, self).__init__()
self.conv1 = nn.Conv3d(in_channels, out_channels, kernel_size=1, bias=False)
self.bn1 = nn.BatchNorm3d(out_channels)
self.conv2 = nn.Conv3d(out_channels, out_channels, kernel_size=3,
stride=stride, padding=1, bias=False)
self.bn2 = nn.BatchNorm3d(out_channels)
self.conv3 = nn.Conv3d(out_channels, out_channels * self.expansion,
kernel_size=1, bias=False)
self.bn3 = nn.BatchNorm3d(out_channels * self.expansion)
self.relu = nn.ReLU(inplace=True)
self.downsample = downsample
self.stride = stride
def forward(self, x):
identity = x
out = self.conv1(x)
out = self.bn1(out)
out = self.relu(out)
out = self.conv2(out)
out = self.bn2(out)
out = self.relu(out)
out = self.conv3(out)
out = self.bn3(out)
if self.downsample is not None:
identity = self.downsample(x)
out += identity
out = self.relu(out)
return out
class ResNet3D(nn.Module):
def __init__(self, block, layers, input_channels=4, base_channels=16, feature_dim=512):
super(ResNet3D, self).__init__()
self.in_channels = base_channels
self.conv1 = nn.Conv3d(input_channels, base_channels, kernel_size=7,
stride=2, padding=3, bias=False)
self.bn1 = nn.BatchNorm3d(base_channels)
self.relu = nn.ReLU(inplace=True)
self.maxpool = nn.MaxPool3d(kernel_size=3, stride=2, padding=1)
# 每个layer的通道数是基于 base_channels 乘以扩展因子
self.layer1 = self._make_layer(block, base_channels, layers[0])
self.layer2 = self._make_layer(block, base_channels * 2, layers[1], stride=2)
self.layer3 = self._make_layer(block, base_channels * 4, layers[2], stride=2)
self.layer4 = self._make_layer(block, base_channels * 8, layers[3], stride=2)
self.avgpool = nn.AdaptiveAvgPool3d((1, 1, 1))
self.fc = nn.Linear(base_channels * 8 * block.expansion, feature_dim)
# 初始化权重
self._initialize_weights()
def _make_layer(self, block, out_channels, blocks, stride=1):
downsample = None
if stride != 1 or self.in_channels != out_channels * block.expansion:
downsample = nn.Sequential(
nn.Conv3d(self.in_channels, out_channels * block.expansion,
kernel_size=1, stride=stride, bias=False),
nn.BatchNorm3d(out_channels * block.expansion),
)
layers = []
layers.append(block(self.in_channels, out_channels, stride, downsample))
self.in_channels = out_channels * block.expansion
for _ in range(1, blocks):
layers.append(block(self.in_channels, out_channels))
return nn.Sequential(*layers)
def _initialize_weights(self):
for m in self.modules():
if isinstance(m, nn.Conv3d):
nn.init.kaiming_normal_(m.weight, mode='fan_out', nonlinearity='relu')
elif isinstance(m, (nn.BatchNorm3d, nn.GroupNorm)):
nn.init.constant_(m.weight, 1)
nn.init.constant_(m.bias, 0)
elif isinstance(m, nn.Linear):
nn.init.normal_(m.weight, 0, 0.01)
nn.init.constant_(m.bias, 0)
def forward(self, x):
# Input shape: (B, C, D, H, W)
x = self.conv1(x)
x = self.bn1(x)
x = self.relu(x)
x = self.maxpool(x)
x = self.layer1(x) # -> (B, C, D/4, H/4, W/4)
x = self.layer2(x) # -> (B, 2C, D/8, H/8, W/8)
x = self.layer3(x) # -> (B, 4C, D/16, H/16, W/16)
x = self.layer4(x) # -> (B, 8C, D/32, H/32, W/32)
x = self.avgpool(x) # -> (B, 8C, 1, 1, 1)
x = torch.flatten(x, 1) # -> (B, 8C)
x = self.fc(x) # -> (B, feature_dim)
return x
def ResNet3D34(input_channels=4, base_channels=16, feature_dim=512):
"""Constructs a ResNet-34 3D model."""
return ResNet3D(BasicBlock3D, [3, 4, 6, 3],
input_channels=input_channels,
base_channels=base_channels,
feature_dim=feature_dim)
def ResNet3D50(input_channels=4, base_channels=16, feature_dim=512):
"""Constructs a ResNet-50 3D model."""
return ResNet3D(Bottleneck3D, [3, 4, 6, 3],
input_channels=input_channels,
base_channels=base_channels,
feature_dim=feature_dim)
class DenseLayer3D(nn.Module):
"""DenseNet3D 的基本层,包括批归一化、激活和卷积操作"""
def __init__(self, in_channels, growth_rate, bn_size=4, drop_rate=0.0):
super(DenseLayer3D, self).__init__()
self.bn1 = nn.BatchNorm3d(in_channels)
self.relu = nn.ReLU(inplace=True)
self.conv1 = nn.Conv3d(in_channels, bn_size * growth_rate, kernel_size=1, stride=1, bias=False)
self.bn2 = nn.BatchNorm3d(bn_size * growth_rate)
self.conv2 = nn.Conv3d(bn_size * growth_rate, growth_rate, kernel_size=3, stride=1, padding=1, bias=False)
self.drop_rate = drop_rate
def forward(self, x):
out = self.bn1(x)
out = self.relu(out)
out = self.conv1(out)
out = self.bn2(out)
out = self.relu(out)
out = self.conv2(out)
if self.drop_rate > 0:
out = F.dropout3d(out, p=self.drop_rate, training=self.training)
# 将输入和输出在通道维度上拼接
out = torch.cat([x, out], 1)
return out
class DenseBlock3D(nn.Module):
"""由多个 DenseLayer3D 组成的 DenseBlock"""
def __init__(self, num_layers, in_channels, growth_rate, bn_size=4, drop_rate=0.0):
super(DenseBlock3D, self).__init__()
layers = []
for i in range(num_layers):
layers.append(DenseLayer3D(
in_channels + i * growth_rate,
growth_rate,
bn_size=bn_size,
drop_rate=drop_rate
))
self.layer = nn.Sequential(*layers)
def forward(self, x):
return self.layer(x)
class Transition3D(nn.Module):
"""用于减少特征图的尺寸和通道数的过渡层"""
def __init__(self, in_channels, out_channels):
super(Transition3D, self).__init__()
self.bn = nn.BatchNorm3d(in_channels)
self.relu = nn.ReLU(inplace=True)
self.conv = nn.Conv3d(in_channels, out_channels, kernel_size=1, stride=1, bias=False)
self.pool = nn.AvgPool3d(kernel_size=2, stride=2)
def forward(self, x):
out = self.bn(x)
out = self.relu(out)
out = self.conv(out)
out = self.pool(out)
return out
class DenseNet3D(nn.Module):
"""DenseNet3D 模型"""
def __init__(self, input_channels=1, base_channels=64, growth_rate=32, block_layers=[3, 6, 12, 8],
bn_size=4, drop_rate=0.0, feature_dim=1024):
super(DenseNet3D, self).__init__()
self.growth_rate = growth_rate
# 初始卷积层
self.features = nn.Sequential(
nn.Conv3d(input_channels, base_channels, kernel_size=7, stride=2, padding=3, bias=False),
nn.BatchNorm3d(base_channels),
nn.ReLU(inplace=True),
nn.MaxPool3d(kernel_size=3, stride=2, padding=1)
)
# Dense Blocks 和 Transition Layers
num_features = base_channels
self.block_layers = []
self.num_blocks = len(block_layers)
self.dense_blocks = nn.ModuleList()
self.trans_blocks = nn.ModuleList()
for i, num_layers in enumerate(block_layers):
dense_block = DenseBlock3D(
num_layers=num_layers,
in_channels=num_features,
growth_rate=growth_rate,
bn_size=bn_size,
drop_rate=drop_rate
)
self.dense_blocks.append(dense_block)
num_features = num_features + num_layers * growth_rate
if i != self.num_blocks - 1:
trans_block = Transition3D(
in_channels=num_features,
out_channels=num_features // 2
)
self.trans_blocks.append(trans_block)
num_features = num_features // 2
# 最后一个 batch norm
self.bn_final = nn.BatchNorm3d(num_features)
self.relu_final = nn.ReLU(inplace=True)
# 全局平均池化
self.global_pool = nn.AdaptiveAvgPool3d((1, 1, 1))
# 分类头
self.classifier = nn.Sequential(
nn.Flatten(),
nn.Linear(num_features, feature_dim)
)
# 初始化权重
self._initialize_weights()
def forward(self, x):
out = self.features(x)
for i in range(self.num_blocks):
out = self.dense_blocks[i](out)
if i < self.num_blocks - 1:
out = self.trans_blocks[i](out)
out = self.bn_final(out)
out = self.relu_final(out)
out = self.global_pool(out) # (B, C, 1, 1, 1)
out = out.view(out.size(0), -1) # (B, C)
out = self.classifier(out) # (B, feature_dim)
return out
def _initialize_weights(self):
"""初始化权重"""
for m in self.modules():
if isinstance(m, nn.Conv3d):
nn.init.kaiming_normal_(m.weight)
elif isinstance(m, nn.BatchNorm3d):
nn.init.constant_(m.weight, 1)
nn.init.constant_(m.bias, 0)
elif isinstance(m, nn.Linear):
nn.init.normal_(m.weight, 0, 0.01)
nn.init.constant_(m.bias, 0)
class FusionPeptide(nn.Module):
def __init__(self, v_encoder='resnet34', q_encoder='lstm', g_encoder='mlp', mode='111', classes=6, channels=16):
super().__init__()
if mode == '000':
raise KeyError('None of the module acitvated')
self.classes = classes
self.mode = [False, False, False]
final_dim = 0
if mode[0] == '1':
final_dim += 128
self.mode[0] = True
if q_encoder == 'lstm':
self.q_encoder = nn.LSTM(
input_size=21,
hidden_size=128,
num_layers=2,
batch_first=True, # input & output will take batch size as 1 dim (batch, time_step, input_size)
bidirectional=True
)
self.q_fc = nn.Linear(256, 128)
else:
raise NotImplementedError
if mode[1] == '1':
final_dim += 512
self.mode[1] = True
if v_encoder == 'resnet34':
self.v_encoder = ResNet3D34(input_channels=4, base_channels=channels, feature_dim=512)
elif v_encoder == 'resnet50':
self.v_encoder = ResNet3D50(input_channels=4, base_channels=channels, feature_dim=512)
elif v_encoder == 'densenet':
self.v_encoder = DenseNet3D(input_channels=4, base_channels=channels, growth_rate=16 if channels < 48 else 32, feature_dim=512)
else:
raise NotImplementedError(f'\'{v_encoder}\' not implemented')
if mode[2] == '1':
final_dim += 128
self.mode[2] = True
if g_encoder == 'mlp':
self.g_encoder = MLP(10, 128, 128, 3, 0.3)
else:
raise NotImplementedError
self.fc = nn.Sequential(
nn.Linear(final_dim, 128), nn.LeakyReLU(0.1), nn.Dropout(0.3),
nn.Linear(128, 64), nn.LeakyReLU(0.1), nn.Dropout(0.3),
nn.Linear(64, self.classes))
def forward(self, x):
vox, seq, globf = x
fusion = []
if self.mode[0]:
fusion.append(self.q_fc(self.q_encoder(seq)[0][:, -1, :]))
if self.mode[1]:
fusion.append(self.v_encoder(vox))
if self.mode[2]:
fusion.append(self.g_encoder(globf))
fusion = torch.cat(fusion, dim=-1)
pred = self.fc(fusion)
return pred
class MLP(nn.Module):
def __init__(self, input_dim, hidden_dim, output_dim, num_layers, dropout_rate):
super(MLP, self).__init__()
layers = []
layers.append(nn.Linear(input_dim, hidden_dim))
layers.append(nn.ReLU())
layers.append(nn.Dropout(dropout_rate))
for _ in range(num_layers - 1):
layers.append(nn.Linear(hidden_dim, hidden_dim))
layers.append(nn.ReLU())
layers.append(nn.Dropout(dropout_rate))
layers.append(nn.Linear(hidden_dim, output_dim))
self.network = nn.Sequential(*layers)
def forward(self, x):
return self.network(x)
class PositionalEncoding(nn.Module):
def __init__(self, d_model, max_len=50):
super(PositionalEncoding, self).__init__()
pe = torch.zeros(max_len, d_model) # (max_len, d_model)
position = torch.arange(0, max_len, dtype=torch.float).unsqueeze(1) # (max_len, 1)
div_term = torch.exp(torch.arange(0, d_model, 2).float() *
(-torch.log(torch.FloatTensor([10000.0])) / d_model)) # (d_model/2,)
pe[:, 0::2] = torch.sin(position * div_term) # 偶数维
pe[:, 1::2] = torch.cos(position * div_term) # 奇数维
pe = pe.unsqueeze(0) # (1, max_len, d_model)
self.register_buffer('pe', pe)
def forward(self, x):
"""
x: (B, N, d_model)
"""
x = x + self.pe[:, :x.size(1), :]
return x
class TransformerModel(nn.Module):
def __init__(self, nheads, d_model, num_layers, out_dim, max_length=50):
super(TransformerModel, self).__init__()
# 嵌入层,将输入从 (B, N) 转换到 (B, N, embed_dim)
self.embedding = nn.Linear(1, d_model)
# 位置编码
self.pos_encoder = PositionalEncoding(d_model, max_length)
# Transformer 编码器层
encoder_layers = nn.TransformerEncoderLayer(d_model=d_model,
nhead=nheads,
activation='relu')
self.transformer_encoder = nn.TransformerEncoder(encoder_layers, num_layers=num_layers)
# 全局池化(可以根据任务选择不同的聚合方式)
self.global_pool = nn.AdaptiveAvgPool1d(1)
# 输出层
self.fc = nn.Linear(d_model, out_dim)
def forward(self, src):
"""
src: (B, N)
"""
# 嵌入
embedded = self.embedding(src.unsqueeze(-1)) # (B, N, embed_dim)
embedded = self.pos_encoder(embedded) # 添加位置编码
# 转置以适应 Transformer (N, B, embed_dim)
embedded = embedded.permute(1, 0, 2)
# Transformer 编码
transformer_out = self.transformer_encoder(embedded) # (N, B, embed_dim)
# 转置回 (B, N, embed_dim)
transformer_out = transformer_out.permute(1, 0, 2)
# 全局池化,将 (B, N, embed_dim) 转换为 (B, embed_dim)
pooled = self.global_pool(transformer_out.permute(0, 2, 1)).squeeze(-1)
# 输出层
output = self.fc(pooled) # (B, output_dim)
return output
class MambaModel(nn.Module):
def __init__(self, d_model, out_dim, max_length=30):
super(MambaModel, self).__init__()
self.linear = nn.Linear(in_features=1, out_features=d_model)
self.pos_encoder = PositionalEncoding(d_model, max_length)
self.mamba = Mamba(d_model=d_model)
self.global_pool = nn.AdaptiveAvgPool1d(1)
self.fc = nn.Linear(d_model * 2, out_dim)
def forward(self, x: torch.Tensor):
x = self.pos_encoder(self.linear(x.unsqueeze(-1)))
y = self.mamba(x)
y_flip = self.mamba(x.flip([-2])).flip([-2])
y = torch.cat((y, y_flip), dim=-1)
y = self.fc(self.global_pool(y.permute(0, 2, 1)).squeeze(-1))
return y
class SEQ(nn.Module):
def __init__(self, seq_type='mlp', input_dim=21, hidden_dim=128, out_dim=128, num_layers=2, max_length=30):
super(SEQ, self).__init__()
self.seq_type = seq_type
if seq_type == 'rnn':
self.rnn = nn.RNN(
input_size=input_dim,
hidden_size=hidden_dim,
num_layers=num_layers,
batch_first=True, # input & output will take batch size as 1 dim (batch, time_step, input_size)
bidirectional=True
)
elif seq_type == 'gru':
self.rnn = nn.GRU(
input_size=input_dim,
hidden_size=hidden_dim,
num_layers=num_layers,
batch_first=True, # input & output will take batch size as 1 dim (batch, time_step, input_size)
bidirectional=True
)
elif seq_type == 'lstm':
self.rnn = nn.LSTM(
input_size=input_dim,
hidden_size=hidden_dim,
num_layers=num_layers,
batch_first=True, # input & output will take batch size as 1 dim (batch, time_step, input_size)
bidirectional=True
)
elif seq_type == 'tf':
self.transformer = TransformerModel(nheads=4, d_model=hidden_dim, num_layers=2, out_dim=out_dim, max_length=max_length)
elif seq_type == 'mamba':
self.mamba = MambaModel(d_model=hidden_dim, out_dim=out_dim, max_length=max_length)
else:
# nn.Linear(50, 50, bias=False), nn.ReLU(),
self.rnn = nn.Sequential(nn.Linear(max_length, hidden_dim * 4), nn.ReLU(), nn.Linear(hidden_dim * 4, out_dim))
self.rnn_fc = nn.Sequential(
nn.Linear(hidden_dim * 2, hidden_dim),
nn.ReLU(),
nn.Linear(hidden_dim, out_dim)
)
def forward(self, seq):
if self.seq_type == 'mlp':
return self.rnn(seq.squeeze(1))
elif self.seq_type == 'tf':
return self.transformer(seq)
elif self.seq_type == 'mamba':
return self.mamba(seq)
else:
one_hot_seq = F.one_hot(seq.to(torch.int64), num_classes=21).float()
r_out = self.rnn(one_hot_seq, None)[0] # None represents zero initial hidden state
out = self.rnn_fc(r_out[:, -1, :])
return out
# def forward(self, x, seq_lengths):
#
class SEQPeptide(nn.Module):
def __init__(self, v_encoder='resnet26', q_encoder='mlp', fusion='mlp', classes=6, attention=None, max_length=30):
super().__init__()
self.classes = classes
# q_encoder could be mlp, gru, rnn, lstm, transformer
self.q_encoder = SEQ(seq_type=q_encoder, max_length=max_length)
self.seq_fc = nn.Linear(128, classes)
def forward(self, x, seq_lengths=None):
vox, seq = x
seq_emb = self.q_encoder(seq)
pred = self.seq_fc(seq_emb)
return pred
class ConvNet(nn.Module):
def __init__(self, num_classes: int = 2):
super(ConvNet, self).__init__()
self.conv1 = nn.Conv1d(3, 16, 3, padding=1)
self.conv2 = nn.Conv1d(16, 32, 3, padding=1)
self.fc1 = nn.Linear(32 * 7, 128)
# self.fc2 = nn.Linear(128, num_classes)
def forward(self, x):
# print(x.shape)
x = x.permute(0, 2, 1)
x = F.relu(self.conv1(x))
x = F.max_pool1d(x, 2)
x = F.relu(self.conv2(x))
x = F.max_pool1d(x, 2)
x = x.view(x.shape[0], -1)
return self.fc1(x)
# x = F.relu(self.fc1(x))
# x = self.fc2(x)
# return x
class ConvNet2D(nn.Module):
def __init__(self, num_classes: int = 2):
super(ConvNet2D, self).__init__()
self.conv1 = nn.Conv2d(1, 8, 3, padding=1)
self.conv2 = nn.Conv2d(8, 16, 3, padding=2, stride=2)
self.conv3 = nn.Conv2d(16, 32, 3, padding=2, stride=2)
# self.pool = nn.AdaptiveAvgPool2d(32)
self.fc1 = nn.Linear(32 * 3 * 9, 128)
# self.fc2 = nn.Linear(128, num_classes)
def forward(self, x):
# print(x.shape)
x = x.unsqueeze(1)
x = F.relu(self.conv1(x))
# print(x.shape)
x = F.relu(self.conv2(x))
# print(x.shape)
x = F.relu(self.conv3(x))
# x = self.pool(x)
# print(x.shape)
x = x.view(x.shape[0], -1)
return self.fc1(x)
# convnet = ConvNet()
# print(convnet)
class MMPeptide(nn.Module):
def __init__(self, v_encoder='resnet26', q_encoder='mlp', fusion='mlp', classes=6, attention=None, max_length=30):
super().__init__()
if attention == 'hamburger':
self.attention = Hamburger(2048, 2048)
else:
self.attention = None
# v_encoder could be resnet26 or resnet50
if v_encoder == 'resnet26':
self.v_encoder = ResNet3D(Bottleneck3D, [1, 2, 4, 1], self.attention)
# self.v_encoder = SwinUNETR(img_size=(64, 64, 64), in_channels=3, out_channels=1)
elif v_encoder == 'resnet50':
self.v_encoder = ResNet3D(Bottleneck3D, [3, 4, 6, 3], self.attention)
else:
raise NotImplementedError
# q_encoder could be mlp, gru, rnn, lstm, transformer
self.q_encoder = SEQ(seq_type=q_encoder, max_length=max_length)
# self.ss_encoder = SEQ(seq_type=q_encoder)
if fusion == 'mlp':
self.fusion = nn.Linear(512 * 4 + 256, 256)
# self.fusion = nn.Linear(192 + 256, classes)
elif fusion == 'att':
self.fusion = nn.Linear(512 * 4 + 256, 256)
else:
raise NotImplementedError
# self.vox_fc = nn.Linear(2048, classes)
# self.seq_fc = nn.Linear(256, classes)
self.out = nn.Sequential(nn.ReLU(inplace=True), nn.Linear(256, classes))
self.classes = classes
def forward(self, x, seq_lengths=None):
vox, seq = x
# print(vox.shape)
# print(seq.shape)
vox_emb = self.v_encoder(vox)
# print(vox_emb.shape)
seq_emb = self.q_encoder(seq, seq_lengths)
# print(seq_emb.shape)
# ss_emb = self.ss_encoder(second_s)
fused_feature = torch.cat((seq_emb, vox_emb), dim=1)
pred = self.fusion(fused_feature)
pred = self.out(pred)
# pred1 = self.vox_fc(vox_emb)
# pred2 = self.seq_fc(seq_emb)
# return pred, fused_feature
return pred
class SMPeptide(nn.Module):
def __init__(self, v_encoder='resnet26', q_encoder='mlp', fusion='mlp', classes=6, attention=None, hidden_dim=256, max_length=30):
super().__init__()
self.siamese_encoder1 = MMPeptide(v_encoder, q_encoder, fusion, classes, attention, max_length)
# self.siamese_encoder2 = MMPeptide(v_encoder, q_encoder, fusion, classes, attention)
self.fc = nn.Sequential(
nn.Linear(hidden_dim * 2, hidden_dim),
nn.ReLU(),
nn.Linear(hidden_dim, 1)
)
def forward(self, x, seq_lengths=None):
f_mutated = self.siamese_encoder1(x[0])
f_wide_type = self.siamese_encoder1(x[1])
return self.fc(torch.cat((f_mutated, f_wide_type), dim=1))
class MMFPeptide(nn.Module):
def __init__(self, v_encoder='resnet26', q_encoder='mlp', fusion='mlp', classes=6, attention=None, max_length=30):
super().__init__()
if attention == 'hamburger':
self.attention = Hamburger(2048, 2048)
else:
self.attention = None
# v_encoder could be resnet26 or resnet50
if v_encoder == 'resnet26':
self.v_encoder = ResNet3D(Bottleneck3D, [1, 2, 4, 1], self.attention)
# self.v_encoder = ResNet3DFusion(Bottleneck, [1, 2, 4, 1], self.attention)
elif v_encoder == 'resnet50':
self.v_encoder = ResNet3D(Bottleneck3D, [3, 4, 6, 3], self.attention)
else:
raise NotImplementedError
# q_encoder could be mlp, gru, rnn, lstm, transformer
self.q_encoder = SEQ(seq_type=q_encoder, max_length=max_length)
if fusion == 'mlp':
self.fusion = nn.Linear(512 * 4 + 256, classes)
elif fusion == 'att':
self.fusion = nn.Linear(512 * 4 + 256, classes)
else:
raise NotImplementedError
self.vox_fc = nn.Linear(2048, classes)
self.seq_fc = nn.Linear(256, classes)
def forward(self, x, seq_lengths=None):
vox, seq = x
# print(vox.shape)
# print(seq.shape)
seq_emb = self.q_encoder(seq, seq_lengths)
vox_emb = self.v_encoder(vox, seq_emb)
# print(vox_emb.shape)
# print(seq_emb.shape)
fused_feature = torch.cat((seq_emb, vox_emb), dim=1)
pred = self.fusion(fused_feature)
# pred1 = self.vox_fc(vox_emb)
# pred2 = self.seq_fc(seq_emb)
return pred
if __name__ == "__main__":
# model = MMFPeptide()
# voxel = torch.zeros((4, 3, 64, 64, 64))
# # # h_in = torch.zeros((2, 2048, 2, 2, 2))
# # # h = Hamburger(2048, 2048)
# # # h(h_in)
# seq = torch.ones((4, 50))
# res = model.forward((voxel, seq))
# out = model((voxel, seq))
# print(out.shape)
# model = ConvNet2D()
input_seq = torch.ones((4, 1, 30))
# model(input_seq)
transformer = TransformerModel(nhead=4, d_model=32, num_layers=2)
print(transformer(input_seq).shape)