from Tools import getMMScoreType,WeightAndMatrix from sklearn.metrics import roc_auc_score from sklearn.model_selection import KFold,StratifiedKFold from keras import metrics from keras.models import Model import numpy as np from keras import backend as K from keras import optimizers from keras.models import Sequential,load_model from keras.layers import Dense, Dropout from keras.callbacks import EarlyStopping,ModelCheckpoint def final_dnn(): length = 30 nfold = 10 f1 = open(r"POS.txt", "r") f2 = open(r"NEG.txt", "r") pos = set() neg = set() for line in f1.readlines(): sp = line.strip().split("\t") pep = sp[0] site = sp[1] + "\t" + sp[2] pos.add(pep) for line in f2.readlines(): sp = line.strip().split("\t") pep = sp[0] if pep not in pos: neg.add(pep) fw = open(r"AUCs.txt", "a") AAscores, l_aas, weight_coef, AAs = \ WeightAndMatrix(r"traningout_best.txt") l_scores, l_type, peps = getMMScoreType(pos, neg, AAscores, weight_coef, l_aas, AAs, length) raw_scores = [] for i in range(len(l_scores)): total = 0.0 for j in range(len(l_scores[i])): total += l_scores[i][j] raw_scores.append(total) X = np.array(l_scores) Y = np.array(l_type) PEP = np.array(peps) parameter = [512, 0.2, 2, X.shape[1]] auc_all,best_model = dnn(X,Y,nfold,parameter,PEP) fw.write("Best AUC:" + "\t" + str(auc_all) + "\t" + str(best_model) + "\n") fw.flush() fw.close() def dnn(X,Y,nfold,parameter,PEP): skf = StratifiedKFold(n_splits=nfold) num = 0 best_auc = 0.0 best_model = 0 Y_last = [] Score_last = [] for train_index, test_index in skf.split(X, Y): num += 1 print("dnn_" + str(num)) X_train, X_test = X[train_index], X[test_index] Y_train, Y_test = Y[train_index], Y[test_index] model = create_model(parameter) model.fit(X_train, Y_train, epochs=300, batch_size=100,validation_data=(X_test,Y_test),verbose=1, callbacks=[EarlyStopping(monitor="val_auc", mode="max", min_delta=0, patience=30), ModelCheckpoint(str(num) +'.model', monitor="val_auc", mode="max", save_best_only=True)]) model = load_model(str(num) +".model") predict_x = model.predict(X_test)[:, 0] auc = roc_auc_score(Y_test, predict_x) if auc > best_auc: best_auc = auc best_model = num Y_last.extend(Y_test) Score_last.extend(predict_x) K.clear_session() auc_all = roc_auc_score(np.array(Y_last), np.array(Score_last)) return auc_all,best_model def create_model(parameter): model = Sequential() model.add(Dense(parameter[0], activation='linear', input_dim=parameter[3])) model.add(Dropout(parameter[1])) for i in range(parameter[2]): fold = 2 ** (i+1) model.add(Dense(parameter[0]/ fold,activation='linear')) model.add(Dropout(parameter[1])) model.add(Dense(1, activation='sigmoid')) model.compile(optimizer=optimizers.Adam(lr=1e-3,decay=3e-5), loss='binary_crossentropy', metrics=[metrics.AUC(name="auc")]) model.summary() return model final_dnn()