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inter_AnnData.py

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+
+import torch
+import torch.nn as nn
+import warnings
+warnings.filterwarnings('ignore')
+import math
+import pandas as pd
+import scanpy as sc
+import os
+from tqdm.auto import tqdm
+from sklearn.metrics import accuracy_score ,f1_score ,recall_score ,precision_score
+from torch.utils.data import (DataLoader ,Dataset)
+torch.set_default_tensor_type(torch.DoubleTensor)
+import numpy as np
+import random
+from sklearn import preprocessing
+
+def same_seeds(seed):
+    random.seed(seed)
+    # Numpy
+    np.random.seed(seed)
+    # Torch
+    torch.manual_seed(seed)
+    if torch.cuda.is_available():
+        torch.cuda.manual_seed(seed)
+        torch.cuda.manual_seed_all(seed)
+    torch.backends.cudnn.benchmark = False
+    torch.backends.cudnn.deterministic = True
+same_seeds(2021)
+
+
+
+def getXY(gap, adata, y_trains):
+    X = adata.X
+    if not isinstance(X, np.ndarray):
+        X = X.todense()
+    X = np.asarray(X)
+
+    single_cell_list = []
+    for single_cell in X:
+        feature = []
+        length = len(single_cell)
+        for k in range(0, length, gap):
+            if (k + gap <= length):
+                a = single_cell[k:k + gap]
+            else:
+                a = single_cell[length - gap:length]
+
+            a = preprocessing.scale(a)
+            feature.append(a)
+        feature = np.asarray(feature)
+        single_cell_list.append(feature)
+
+    single_cell_list = np.asarray(single_cell_list)
+
+    cell_types = []
+
+    if(len(y_trains) > 0):
+        for i in y_trains:
+            i = str(i).upper()
+            if (not cell_types.__contains__(i)):
+                cell_types.append(i)
+
+        return single_cell_list, y_trains, cell_types
+    else:
+        return single_cell_list
+
+def getNewData(cells, cell_types):
+    labels = []
+    for i in range(len(cells)):
+        cell = cells[i]
+        cell = str(cell).upper()
+
+        if (cell_types.__contains__(cell)):
+            indexs = cell_types.index(cell)
+            labels.append(indexs + 1)
+        else:
+            labels.append(0)  # 0 denotes the unknowns cell types
+
+    return np.asarray(labels)
+
+
+class TrainDataSet(Dataset):
+    def __init__(self, data, label):
+        self.data = data
+        self.label = label
+        self.length = len(data)
+
+    def __len__(self):
+        return self.length
+
+    def __getitem__(self, index):
+        data = torch.from_numpy(self.data)
+        label = torch.from_numpy(self.label)
+
+        return data[index], label[index]
+
+class TestDataSet(Dataset):
+    def __init__(self, data):
+        self.data = data
+
+        self.length = len(data)
+
+    def __len__(self):
+        return self.length
+
+    def __getitem__(self, index):
+        data = torch.from_numpy(self.data)
+        return data[index]
+
+class PositionalEncoding(nn.Module):
+    def __init__(self, d_model, dropout=0.1, max_len=5000):
+        super(PositionalEncoding, self).__init__()
+        self.dropout = nn.Dropout(p=dropout)
+        pe = torch.zeros(max_len, d_model)
+        position = torch.arange(0, max_len, dtype=torch.float).unsqueeze(1)
+        div_term = torch.exp(torch.arange(0, d_model, 2).float() * (-math.log(10000.0) / d_model))
+        pe[:, 0::2] = torch.sin(position * div_term)
+        pe[:, 1::2] = torch.cos(position * div_term)
+        pe = pe.unsqueeze(0).transpose(0, 1)
+        self.register_buffer('pe', pe)
+
+    def forward(self, x):
+        x = x + self.pe[:x.size(0), :]
+        return self.dropout(x)
+
+class CIForm(nn.Module):
+    def __init__(self, input_dim, nhead=2, d_model=80, num_classes=2, dropout=0.1):
+        super().__init__()
+        self.encoder_layer = nn.TransformerEncoderLayer(
+            d_model=d_model, dim_feedforward=1024, nhead=nhead, dropout=dropout
+        )
+        self.positionalEncoding = PositionalEncoding(d_model=d_model, dropout=dropout)
+        self.pred_layer = nn.Sequential(
+            nn.Linear(d_model, d_model),
+            nn.ReLU(),
+            nn.Linear(d_model, num_classes)
+        )
+
+    def forward(self, mels):
+        out = mels.permute(1, 0, 2)
+        out = self.positionalEncoding(out)
+        out = self.encoder_layer(out)
+        out = out.transpose(0, 1)
+        out = out.mean(dim=1)
+        out = self.pred_layer(out)
+        return out
+
+def ciForm(s ,Train_adata ,train_labels ,Test_adata,y_test,n_epochs=20):
+    gap = s
+    d_models = s
+    heads = 64
+
+    lr = 0.0001
+    dp = 0.1
+    batch_sizes = 256
+    n_epochs = n_epochs
+
+    train_data, train_cells, train_cellTypes = getXY(gap,Train_adata,train_labels)
+    print("train_cellTypes",train_cellTypes)
+
+    cell_types = train_cellTypes
+    Train_labels = getNewData(train_cells, cell_types)
+    labels = Train_labels
+    cell_types = np.unique(train_labels)
+    num_classes = len(cell_types) + 1
+
+    query_data, test_cells, test_cellTypes = getXY(gap, Test_adata, y_test)
+    test_labels = getNewData(test_cells, train_cellTypes)
+
+
+    model = CIForm(input_dim=d_models, nhead=heads, d_model=d_models,
+                   num_classes=num_classes ,dropout=dp)
+
+    criterion = nn.CrossEntropyLoss()
+    optimizer = torch.optim.Adam(model.parameters(), lr=lr, weight_decay=1e-5)
+
+
+    train_dataset = TrainDataSet(data=train_data, label=labels)
+    train_loader = DataLoader(train_dataset, batch_size=batch_sizes, shuffle=True,
+                              pin_memory=True)
+    test_dataset = TrainDataSet(data=query_data, label=test_labels)
+    test_loader = DataLoader(test_dataset, batch_size=batch_sizes, shuffle=False,
+                             pin_memory=True)
+    new_cellTypes = []
+    new_cellTypes.append("unassigned")
+    new_cellTypes.extend(cell_types)
+
+
+    model.train()
+    for epoch in range(n_epochs):
+        # model.train()
+        # These are used to record information in training.
+        train_loss = []
+        train_accs = []
+        train_f1s = []
+        for batch in tqdm(train_loader):
+            # A batch consists of image data and corresponding labels.
+            data, labels = batch
+            logits = model(data)
+            labels = torch.tensor(labels, dtype=torch.long)
+            loss = criterion(logits, labels)
+            optimizer.zero_grad()
+            loss.backward()
+            optimizer.step()
+
+            preds = logits.argmax(1)
+            preds = preds.cpu().numpy()
+            labels = labels.cpu().numpy()
+
+            acc = accuracy_score(labels, preds)
+            f1 = f1_score(labels ,preds ,average='macro')
+            train_loss.append(loss.item())
+            train_accs.append(acc)
+            train_f1s.append(f1)
+        train_loss = sum(train_loss) / len(train_loss)
+        train_acc = sum(train_accs) / len(train_accs)
+        train_f1 = sum(train_f1s) / len(train_f1s)
+
+        print \
+            (f"[ Train | {epoch + 1:03d}/{n_epochs:03d} ] loss = {train_loss:.5f}, acc = {train_acc:.5f}, f1 = {train_f1:.5f}")
+
+    model.eval()
+    test_accs = []
+    test_f1s = []
+    y_predict = []
+    labelss = []
+    for batch in tqdm(test_loader):
+        # A batch consists of image data and corresponding labels.
+        data, labels = batch
+        with torch.no_grad():
+            logits = model(data)
+        preds = logits.argmax(1)
+        preds = preds.cpu().numpy().tolist()
+        labels = labels.cpu().numpy().tolist()
+        acc = accuracy_score(labels, preds)
+        f1 = f1_score(labels, preds, average='macro')
+        test_f1s.append(f1)
+        test_accs.append(acc)
+
+        y_predict.extend(preds)
+        labelss.extend(labels)
+    test_acc = sum(test_accs) / len(test_accs)
+    test_f1 = sum(test_f1s) / len(test_f1s)
+    print("---------------------------------------------end test---------------------------------------------")
+    print("y_predict", y_predict)
+    print("labelss", labelss)
+
+    print("len(y_predict)" ,len(y_predict))
+    print("test_acc:", test_acc ,"test_f1:", test_f1)
+    all_acc = accuracy_score(labelss, y_predict)
+    all_f1 = f1_score(labelss, y_predict, average='macro')
+    print("all_acc:", all_acc ,"all_f1:", all_f1)
+
+    labelsss = []
+    y_predicts = []
+    for i in labelss:
+        labelsss.append(new_cellTypes[i])
+    for i in y_predict:
+        y_predicts.append(new_cellTypes[i])
+
+    log_dir = "log/"
+    log_txt = "log/"
+
+    if (not os.path.isdir(log_dir)):
+        os.makedirs(log_dir)
+
+    last_path = log_dir + str(n_epochs) + "/"
+    if (not os.path.isdir(last_path)):
+        os.makedirs(last_path)
+    with open(log_txt + "end_norm.txt", "a") as f:
+        f.writelines("log_dir:" + last_path + "\n")
+        f.writelines("acc:" + str(all_acc) + "\n")
+        f.writelines('f1:' + str(all_f1) + "\n")
+
+
+s = 1024
+
+
+import os
+import time as tm
+from sklearn.metrics import *
+from sklearn.model_selection import train_test_split
+
+
+tissues = "Root"
+path = "../../Datasets/Arabidopsis thaliana/" + tissues  + "/"
+data_name = "03SRP330542"
+test_paths = [path]
+test_names = [data_name + ".h5ad"]
+topgenes = 2000
+
+adata_mod1 = sc.read_h5ad(test_paths[0] + test_names[0])
+adata_mod1.var_names_make_unique()
+adata_mod1.obs['domain_id'] = 0
+sc.pp.highly_variable_genes(adata_mod1, n_top_genes=topgenes)
+adata_mod1 = adata_mod1[:, adata_mod1.var['highly_variable']]
+
+X = adata_mod1.X  # obsm['X_pca']#.todense()
+if not isinstance(X, np.ndarray):
+    X = X.todense()
+
+X = np.asarray(X)
+print("X.shape", X.shape)
+Y = adata_mod1.obs['Celltype'].to_numpy()
+print("Y.shape", Y.shape)
+
+test_size = 0.99
+ref_adata, query_adata, y_train, y_test = train_test_split(adata_mod1, Y, test_size=test_size, random_state=2024)
+print("ref_adata",ref_adata)
+print("query_adata",query_adata)
+start = tm.time()
+
+ciForm(s ,ref_adata ,y_train ,query_adata,y_test,n_epochs=20)
+