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Upload app.py
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app.py
ADDED
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|
| 1 |
+
"""
|
| 2 |
+
ML Binary Classification Pipeline
|
| 3 |
+
Eye & ENT Hospital of Fudan University — Laboratory Medicine, Ren Jun
|
| 4 |
+
Gradio 5.12.0 + Python 3.11
|
| 5 |
+
"""
|
| 6 |
+
|
| 7 |
+
import numpy as np
|
| 8 |
+
import pandas as pd
|
| 9 |
+
import matplotlib
|
| 10 |
+
matplotlib.use('Agg')
|
| 11 |
+
import matplotlib.pyplot as plt
|
| 12 |
+
from sklearn.ensemble import RandomForestClassifier, AdaBoostClassifier
|
| 13 |
+
from sklearn.tree import DecisionTreeClassifier
|
| 14 |
+
from sklearn.neighbors import KNeighborsClassifier
|
| 15 |
+
from sklearn.linear_model import LogisticRegression
|
| 16 |
+
from sklearn.naive_bayes import GaussianNB
|
| 17 |
+
from sklearn.svm import SVC
|
| 18 |
+
from xgboost import XGBClassifier
|
| 19 |
+
from sklearn.model_selection import StratifiedKFold, GridSearchCV
|
| 20 |
+
from sklearn.metrics import (
|
| 21 |
+
roc_auc_score, confusion_matrix, roc_curve,
|
| 22 |
+
auc as auc_score, precision_recall_curve
|
| 23 |
+
)
|
| 24 |
+
import seaborn as sns
|
| 25 |
+
import warnings
|
| 26 |
+
from scipy import stats
|
| 27 |
+
import os
|
| 28 |
+
import shap
|
| 29 |
+
import pickle
|
| 30 |
+
from copy import deepcopy
|
| 31 |
+
import zipfile
|
| 32 |
+
import tempfile
|
| 33 |
+
import traceback
|
| 34 |
+
import time
|
| 35 |
+
import shutil
|
| 36 |
+
import gc
|
| 37 |
+
import threading
|
| 38 |
+
import gradio as gr
|
| 39 |
+
|
| 40 |
+
warnings.filterwarnings('ignore')
|
| 41 |
+
plt.rcParams['font.sans-serif'] = ['DejaVu Sans']
|
| 42 |
+
plt.rcParams['axes.unicode_minus'] = False
|
| 43 |
+
|
| 44 |
+
# ============================================================================
|
| 45 |
+
# Cache Cleanup System
|
| 46 |
+
# ============================================================================
|
| 47 |
+
CLEANUP_MAX_AGE_MINUTES = 30 # 临时文件超过30分钟自动删除
|
| 48 |
+
CLEANUP_INTERVAL_SECONDS = 600 # 每10分钟检查一次
|
| 49 |
+
CLEANUP_MAX_DISK_MB = 1024 # /tmp 中 ml_ 文件夹超过 1GB 时强制清理
|
| 50 |
+
|
| 51 |
+
def cleanup_old_temp_files():
|
| 52 |
+
"""清理超时的临时文件夹和ZIP"""
|
| 53 |
+
now = time.time()
|
| 54 |
+
max_age = CLEANUP_MAX_AGE_MINUTES * 60
|
| 55 |
+
cleaned_dirs = 0
|
| 56 |
+
cleaned_mb = 0.0
|
| 57 |
+
tmp_dir = tempfile.gettempdir()
|
| 58 |
+
|
| 59 |
+
try:
|
| 60 |
+
for item in os.listdir(tmp_dir):
|
| 61 |
+
item_path = os.path.join(tmp_dir, item)
|
| 62 |
+
# 清理 ml_ 开头的结果文件夹
|
| 63 |
+
if item.startswith("ml_") and os.path.isdir(item_path):
|
| 64 |
+
age = now - os.path.getmtime(item_path)
|
| 65 |
+
if age > max_age:
|
| 66 |
+
size = sum(os.path.getsize(os.path.join(r, f))
|
| 67 |
+
for r, _, fs in os.walk(item_path) for f in fs)
|
| 68 |
+
shutil.rmtree(item_path, ignore_errors=True)
|
| 69 |
+
cleaned_dirs += 1
|
| 70 |
+
cleaned_mb += size / (1024 * 1024)
|
| 71 |
+
# 清理旧的 ZIP 结果文件
|
| 72 |
+
if item.startswith("ml_") and item.endswith(".zip") and os.path.isfile(item_path):
|
| 73 |
+
age = now - os.path.getmtime(item_path)
|
| 74 |
+
if age > max_age:
|
| 75 |
+
size = os.path.getsize(item_path)
|
| 76 |
+
os.remove(item_path)
|
| 77 |
+
cleaned_mb += size / (1024 * 1024)
|
| 78 |
+
except Exception:
|
| 79 |
+
pass
|
| 80 |
+
|
| 81 |
+
# 强制回收 Python 内存
|
| 82 |
+
gc.collect()
|
| 83 |
+
|
| 84 |
+
if cleaned_dirs > 0:
|
| 85 |
+
print(f"[Cleanup] 清理 {cleaned_dirs} 个临时文件夹, 释放 {cleaned_mb:.1f} MB")
|
| 86 |
+
|
| 87 |
+
|
| 88 |
+
def check_disk_pressure():
|
| 89 |
+
"""检查磁盘压力,超限时立即清理所有旧文件"""
|
| 90 |
+
tmp_dir = tempfile.gettempdir()
|
| 91 |
+
total_mb = 0
|
| 92 |
+
try:
|
| 93 |
+
for item in os.listdir(tmp_dir):
|
| 94 |
+
item_path = os.path.join(tmp_dir, item)
|
| 95 |
+
if item.startswith("ml_"):
|
| 96 |
+
if os.path.isdir(item_path):
|
| 97 |
+
total_mb += sum(os.path.getsize(os.path.join(r, f))
|
| 98 |
+
for r, _, fs in os.walk(item_path) for f in fs) / (1024*1024)
|
| 99 |
+
elif os.path.isfile(item_path):
|
| 100 |
+
total_mb += os.path.getsize(item_path) / (1024*1024)
|
| 101 |
+
except Exception:
|
| 102 |
+
pass
|
| 103 |
+
|
| 104 |
+
if total_mb > CLEANUP_MAX_DISK_MB:
|
| 105 |
+
print(f"[Cleanup] 磁盘占用 {total_mb:.0f}MB > {CLEANUP_MAX_DISK_MB}MB, 强制清理!")
|
| 106 |
+
for item in os.listdir(tmp_dir):
|
| 107 |
+
item_path = os.path.join(tmp_dir, item)
|
| 108 |
+
if item.startswith("ml_"):
|
| 109 |
+
try:
|
| 110 |
+
if os.path.isdir(item_path): shutil.rmtree(item_path, ignore_errors=True)
|
| 111 |
+
elif os.path.isfile(item_path): os.remove(item_path)
|
| 112 |
+
except: pass
|
| 113 |
+
gc.collect()
|
| 114 |
+
|
| 115 |
+
|
| 116 |
+
def periodic_cleanup():
|
| 117 |
+
"""后台定时清理线程"""
|
| 118 |
+
while True:
|
| 119 |
+
time.sleep(CLEANUP_INTERVAL_SECONDS)
|
| 120 |
+
cleanup_old_temp_files()
|
| 121 |
+
check_disk_pressure()
|
| 122 |
+
|
| 123 |
+
# 启动后台清理线程
|
| 124 |
+
_cleanup_thread = threading.Thread(target=periodic_cleanup, daemon=True)
|
| 125 |
+
_cleanup_thread.start()
|
| 126 |
+
print("[Cleanup] 后台自动清理已启动 (每10分钟检查, 30分钟过期, 上限500MB)")
|
| 127 |
+
|
| 128 |
+
# ============================================================================
|
| 129 |
+
# Helper Functions
|
| 130 |
+
# ============================================================================
|
| 131 |
+
def compute_midrank(x):
|
| 132 |
+
J = np.argsort(x); Z = x[J]; N = len(x)
|
| 133 |
+
T = np.zeros(N, dtype=float); i = 0
|
| 134 |
+
while i < N:
|
| 135 |
+
j = i
|
| 136 |
+
while j < N and Z[j] == Z[i]: j += 1
|
| 137 |
+
T[i:j] = 0.5 * (i + j - 1); i = j
|
| 138 |
+
T2 = np.empty(N, dtype=float); T2[J] = T + 1
|
| 139 |
+
return T2
|
| 140 |
+
|
| 141 |
+
def fastDeLong(pst, m):
|
| 142 |
+
n = pst.shape[1] - m; k = pst.shape[0]
|
| 143 |
+
tx = np.empty([k, m]); ty = np.empty([k, n]); tz = np.empty([k, m + n])
|
| 144 |
+
for r in range(k):
|
| 145 |
+
tx[r] = compute_midrank(pst[r, :m]); ty[r] = compute_midrank(pst[r, m:])
|
| 146 |
+
tz[r] = compute_midrank(pst[r])
|
| 147 |
+
aucs = tz[:, :m].sum(1) / m / n - (m + 1.0) / 2.0 / n
|
| 148 |
+
v01 = (tz[:, :m] - tx) / n; v10 = 1.0 - (tz[:, m:] - ty) / m
|
| 149 |
+
return aucs, np.cov(v01) / m + np.cov(v10) / n
|
| 150 |
+
|
| 151 |
+
def delong_roc_test(gt, p1, p2):
|
| 152 |
+
order = (-gt).argsort(); m = int(gt.sum())
|
| 153 |
+
pst = np.vstack([p1, p2])[:, order]
|
| 154 |
+
aucs, cov = fastDeLong(pst, m)
|
| 155 |
+
l = np.array([[1, -1]])
|
| 156 |
+
z = np.abs(np.diff(aucs)) / np.sqrt(np.dot(np.dot(l, cov), l.T))
|
| 157 |
+
log10p = np.log10(2) + stats.norm.logsf(z, 0, 1) / np.log(10)
|
| 158 |
+
return 10 ** log10p[0][0], aucs[0], aucs[1]
|
| 159 |
+
|
| 160 |
+
def find_optimal_threshold(y_true, y_probs, method='youden'):
|
| 161 |
+
fpr, tpr, th = roc_curve(y_true, y_probs)
|
| 162 |
+
idx = np.argmax(tpr - fpr)
|
| 163 |
+
return th[idx], (tpr - fpr)[idx], idx
|
| 164 |
+
|
| 165 |
+
def calculate_net_benefit(y_true, y_probs, threshold):
|
| 166 |
+
yp = (y_probs >= threshold).astype(int)
|
| 167 |
+
tn, fp, fn, tp = confusion_matrix(y_true, yp).ravel()
|
| 168 |
+
n = len(y_true)
|
| 169 |
+
return (tp / n) - (fp / n) * (threshold / (1 - threshold))
|
| 170 |
+
|
| 171 |
+
def plot_dca(y_true, y_probs_dict, title, save_prefix, result_dir, final_model=None):
|
| 172 |
+
"""绘制标准临床DCA曲线(类似R语言rmda包格式)"""
|
| 173 |
+
prevalence = np.mean(y_true)
|
| 174 |
+
max_thr = min(0.99, max(prevalence * 3, 0.6)) if prevalence < 0.5 else 0.9
|
| 175 |
+
thresholds = np.linspace(0.01, max_thr, 200)
|
| 176 |
+
|
| 177 |
+
plt.figure(figsize=(10, 7))
|
| 178 |
+
|
| 179 |
+
# Treat All
|
| 180 |
+
ta_nb = [prevalence - (1 - prevalence) * (pt / (1 - pt)) for pt in thresholds]
|
| 181 |
+
plt.plot(thresholds, ta_nb, 'k-', lw=1.5, label='Treat All')
|
| 182 |
+
|
| 183 |
+
# Treat None (y=0)
|
| 184 |
+
plt.axhline(y=0, color='#555555', lw=1.5, linestyle='-', label='Treat None')
|
| 185 |
+
|
| 186 |
+
# Model curves
|
| 187 |
+
DCA_COLORS = ['#e41a1c','#377eb8','#4daf4a','#984ea3','#ff7f00','#a65628','#f781bf','#999999']
|
| 188 |
+
for idx, (mn, yp) in enumerate(y_probs_dict.items()):
|
| 189 |
+
nbs = [calculate_net_benefit(y_true, yp, t) for t in thresholds]
|
| 190 |
+
lbl = f'{mn} (Final)' if mn == final_model else mn
|
| 191 |
+
plt.plot(thresholds, nbs, color=DCA_COLORS[idx % len(DCA_COLORS)], lw=2, label=lbl)
|
| 192 |
+
|
| 193 |
+
# Y-axis: clinical range
|
| 194 |
+
y_min = max(min(ta_nb), -0.05) - 0.01
|
| 195 |
+
y_max = max(prevalence * 1.5, 0.15)
|
| 196 |
+
plt.xlim([0, max_thr]); plt.ylim([y_min, y_max])
|
| 197 |
+
plt.xlabel('Threshold Probability', fontsize=13)
|
| 198 |
+
plt.ylabel('Net Benefit', fontsize=13)
|
| 199 |
+
plt.title(title, fontsize=15, fontweight='bold')
|
| 200 |
+
plt.legend(loc='upper right', fontsize=10, framealpha=0.9)
|
| 201 |
+
plt.grid(True, alpha=0.15); plt.tight_layout()
|
| 202 |
+
plt.savefig(os.path.join(result_dir, f'{save_prefix}.pdf'), format='pdf', bbox_inches='tight', dpi=300)
|
| 203 |
+
plt.savefig(os.path.join(result_dir, f'{save_prefix}.png'), format='png', bbox_inches='tight', dpi=150)
|
| 204 |
+
plt.close()
|
| 205 |
+
|
| 206 |
+
# ============================================================================
|
| 207 |
+
# Model configs
|
| 208 |
+
# ============================================================================
|
| 209 |
+
ALL_MODEL_NAMES = ['RF', 'DT', 'KNN', 'XGB', 'AdaBoost', 'LR', 'NB', 'SVM']
|
| 210 |
+
|
| 211 |
+
def get_models_config(selected, rs=42):
|
| 212 |
+
cfg = {
|
| 213 |
+
'RF': {'model': RandomForestClassifier(random_state=rs, n_jobs=-1),
|
| 214 |
+
'params': {'n_estimators': [100,200], 'max_depth': [20,50], 'min_samples_split': [2,5], 'max_features': ['sqrt']}},
|
| 215 |
+
'DT': {'model': DecisionTreeClassifier(random_state=rs),
|
| 216 |
+
'params': {'max_depth': [20,50], 'min_samples_split': [2,10], 'min_samples_leaf': [1,4], 'criterion': ['gini','entropy']}},
|
| 217 |
+
'KNN': {'model': KNeighborsClassifier(n_jobs=-1),
|
| 218 |
+
'params': {'n_neighbors': [3,5,7], 'weights': ['uniform','distance'], 'metric': ['euclidean','manhattan']}},
|
| 219 |
+
'XGB': {'model': XGBClassifier(random_state=rs, eval_metric='logloss', n_jobs=-1),
|
| 220 |
+
'params': {'n_estimators': [100,200], 'max_depth': [5,7], 'learning_rate': [0.05,0.1], 'subsample': [0.8,1.0], 'colsample_bytree': [0.8,1.0]}},
|
| 221 |
+
'AdaBoost': {'model': AdaBoostClassifier(random_state=rs),
|
| 222 |
+
'params': {'n_estimators': [50,100], 'learning_rate': [0.1,0.5,1.0]}},
|
| 223 |
+
'LR': {'model': LogisticRegression(random_state=rs, n_jobs=-1, max_iter=2000),
|
| 224 |
+
'params': {'C': [0.1,1,10], 'penalty': ['l2'], 'solver': ['lbfgs','liblinear']}},
|
| 225 |
+
'NB': {'model': GaussianNB(),
|
| 226 |
+
'params': {'var_smoothing': [1e-9,1e-7,1e-5]}},
|
| 227 |
+
'SVM': {'model': SVC(probability=True, random_state=rs),
|
| 228 |
+
'params': {'C': [1,10], 'kernel': ['rbf','linear'], 'gamma': ['scale','auto']}},
|
| 229 |
+
}
|
| 230 |
+
return {k: v for k, v in cfg.items() if k in selected}
|
| 231 |
+
|
| 232 |
+
# ============================================================================
|
| 233 |
+
# Main Pipeline with Progress
|
| 234 |
+
# ============================================================================
|
| 235 |
+
def run_pipeline(
|
| 236 |
+
train_file, val_file1, val_file2, val_file3, selected_models, enable_tuning,
|
| 237 |
+
cv_folds, alpha, top_n_features, shap_sample_size,
|
| 238 |
+
progress=gr.Progress(track_tqdm=True),
|
| 239 |
+
):
|
| 240 |
+
if train_file is None:
|
| 241 |
+
return None, "❌ 请先上传训练集 CSV 文件"
|
| 242 |
+
sel = selected_models if isinstance(selected_models, list) else [s.strip() for s in str(selected_models).split(",") if s.strip()]
|
| 243 |
+
if not sel:
|
| 244 |
+
return None, "❌ 请至少选择一个模型"
|
| 245 |
+
|
| 246 |
+
RS = 42; CVF = int(cv_folds); ALP = float(alpha)
|
| 247 |
+
TOPN = int(top_n_features); SHAPSZ = int(shap_sample_size)
|
| 248 |
+
TUNING = bool(enable_tuning)
|
| 249 |
+
|
| 250 |
+
L = []
|
| 251 |
+
def log(m): L.append(str(m))
|
| 252 |
+
|
| 253 |
+
rf = tempfile.mkdtemp(prefix="ml_")
|
| 254 |
+
|
| 255 |
+
try:
|
| 256 |
+
# ── Load ──
|
| 257 |
+
progress(0.02, desc="📂 加载数据...")
|
| 258 |
+
log("━" * 50)
|
| 259 |
+
log(" 🧬 ML 二分类模型训练与评估系统")
|
| 260 |
+
log("━" * 50)
|
| 261 |
+
|
| 262 |
+
tp = train_file if isinstance(train_file, str) else getattr(train_file, 'name', str(train_file))
|
| 263 |
+
data = pd.read_csv(tp)
|
| 264 |
+
X = data.iloc[:, 2:]; y = data.iloc[:, 0]
|
| 265 |
+
fnames = X.columns.tolist()
|
| 266 |
+
|
| 267 |
+
# Auto 0/1
|
| 268 |
+
ul = sorted(y.unique())
|
| 269 |
+
if set(ul) != {0, 1}:
|
| 270 |
+
lm = {ul[0]: 0, ul[1]: 1}; y = y.map(lm)
|
| 271 |
+
log(f" ⚙ 标签已自动转换: {lm}")
|
| 272 |
+
|
| 273 |
+
log(f" 📊 训练集: {X.shape[0]} 样本 × {X.shape[1]} 特征")
|
| 274 |
+
log(f" 📊 标签: {dict(y.value_counts())}")
|
| 275 |
+
log(f" 🤖 模型: {', '.join(sel)}")
|
| 276 |
+
log(f" 🔧 调优: {'开启' if TUNING else '关闭'} | CV: {CVF}折")
|
| 277 |
+
|
| 278 |
+
mcfg = get_models_config(sel, RS)
|
| 279 |
+
skf = StratifiedKFold(n_splits=CVF, shuffle=True, random_state=RS)
|
| 280 |
+
|
| 281 |
+
# ── Train ──
|
| 282 |
+
bpd = {}; amr = {}; tms = {}
|
| 283 |
+
total = len(mcfg)
|
| 284 |
+
COLORS = ['#2563eb','#f59e0b','#10b981','#ef4444','#8b5cf6','#ec4899','#06b6d4','#6b7280']
|
| 285 |
+
|
| 286 |
+
for mi, (mn, cf) in enumerate(mcfg.items()):
|
| 287 |
+
pv = 0.05 + 0.40 * mi / total
|
| 288 |
+
progress(pv, desc=f"🏋️ [{mi+1}/{total}] 训练 {mn}...")
|
| 289 |
+
log(f"\n{'─'*40}")
|
| 290 |
+
log(f" 🔄 [{mi+1}/{total}] {mn}")
|
| 291 |
+
|
| 292 |
+
Xv = X.values
|
| 293 |
+
if TUNING:
|
| 294 |
+
log(f" ⏳ GridSearchCV (CV={CVF})...")
|
| 295 |
+
gs = GridSearchCV(cf['model'], cf['params'], cv=skf, scoring='roc_auc', n_jobs=-1, verbose=0)
|
| 296 |
+
gs.fit(Xv, y)
|
| 297 |
+
bp = gs.best_params_; bpd[mn] = bp
|
| 298 |
+
log(f" ✓ 最佳AUC: {gs.best_score_:.4f}")
|
| 299 |
+
else:
|
| 300 |
+
bp = {}; bpd[mn] = "默认参数"
|
| 301 |
+
|
| 302 |
+
mdl = deepcopy(cf['model'])
|
| 303 |
+
if bp: mdl.set_params(**bp)
|
| 304 |
+
mdl.fit(Xv, y)
|
| 305 |
+
tms[mn] = {'model': mdl, 'scaler': None}
|
| 306 |
+
|
| 307 |
+
# CV eval
|
| 308 |
+
folds = []; ayt = []; ayp = []; tprs = []
|
| 309 |
+
bfpr = np.linspace(0, 1, 101)
|
| 310 |
+
for fi, (tri, tei) in enumerate(skf.split(X, y), 1):
|
| 311 |
+
Xtr, Xte = X.iloc[tri].values, X.iloc[tei].values
|
| 312 |
+
ytr, yte = y.iloc[tri], y.iloc[tei]
|
| 313 |
+
mf = deepcopy(cf['model'])
|
| 314 |
+
if bp: mf.set_params(**bp)
|
| 315 |
+
mf.fit(Xtr, ytr)
|
| 316 |
+
ypp = mf.predict_proba(Xte)[:, 1]
|
| 317 |
+
ypd = (ypp > 0.5).astype(int)
|
| 318 |
+
tn, fp, fn, tp = confusion_matrix(yte, ypd).ravel()
|
| 319 |
+
se = tp/(tp+fn) if tp+fn else 0; sp = tn/(tn+fp) if tn+fp else 0
|
| 320 |
+
ac = (tp+tn)/(tp+tn+fp+fn); pr = tp/(tp+fp) if tp+fp else 0
|
| 321 |
+
f1 = 2*pr*se/(pr+se) if pr+se else 0
|
| 322 |
+
auc_v = roc_auc_score(yte, ypp)
|
| 323 |
+
folds.append({'Fold': fi, 'AUC': auc_v, 'Accuracy': ac, 'Sensitivity': se,
|
| 324 |
+
'Specificity': sp, 'Precision': pr, 'F1': f1, 'TP': tp, 'TN': tn, 'FP': fp, 'FN': fn})
|
| 325 |
+
ayt.extend(yte); ayp.extend(ypp)
|
| 326 |
+
fa, ta, _ = roc_curve(yte, ypp)
|
| 327 |
+
ti = np.interp(bfpr, fa, ta); ti[0] = 0.0; tprs.append(ti)
|
| 328 |
+
|
| 329 |
+
rdf = pd.DataFrame(folds)
|
| 330 |
+
mr = {'Fold': 'Mean', 'AUC': rdf['AUC'].mean(), 'Accuracy': rdf['Accuracy'].mean(),
|
| 331 |
+
'Sensitivity': rdf['Sensitivity'].mean(), 'Specificity': rdf['Specificity'].mean(),
|
| 332 |
+
'Precision': rdf['Precision'].mean(), 'F1': rdf['F1'].mean(),
|
| 333 |
+
'TP': rdf['TP'].sum(), 'TN': rdf['TN'].sum(), 'FP': rdf['FP'].sum(), 'FN': rdf['FN'].sum()}
|
| 334 |
+
rdf = pd.concat([rdf, pd.DataFrame([mr])], ignore_index=True)
|
| 335 |
+
ot, yv, _ = find_optimal_threshold(np.array(ayt), np.array(ayp))
|
| 336 |
+
amr[mn] = {'results_df': rdf, 'mean_auc': mr['AUC'], 'all_y_true': np.array(ayt),
|
| 337 |
+
'all_y_probs': np.array(ayp), 'tprs': tprs, 'base_fpr': bfpr,
|
| 338 |
+
'optimal_threshold': ot, 'youden_index': yv}
|
| 339 |
+
log(f" ✅ AUC={mr['AUC']:.4f} Acc={mr['Accuracy']:.4f} 阈值={ot:.4f}")
|
| 340 |
+
|
| 341 |
+
mnames = list(amr.keys()); nm = len(mnames)
|
| 342 |
+
log(f"\n{'━'*50}")
|
| 343 |
+
log(f" ✅ {nm} 个模型训练完成")
|
| 344 |
+
|
| 345 |
+
# ── ROC ──
|
| 346 |
+
progress(0.48, desc="📈 绘制ROC曲线...")
|
| 347 |
+
log(f"\n 📈 绘制图表...")
|
| 348 |
+
plt.figure(figsize=(12, 10))
|
| 349 |
+
for i, mn in enumerate(mnames):
|
| 350 |
+
r = amr[mn]; mt = np.mean(r['tprs'], axis=0); mt[-1] = 1.0
|
| 351 |
+
ma = auc_score(r['base_fpr'], mt); sa = r['results_df'].iloc[:-1]['AUC'].std()
|
| 352 |
+
st = np.std(r['tprs'], axis=0)
|
| 353 |
+
c = COLORS[i % 8]
|
| 354 |
+
plt.plot(r['base_fpr'], mt, color=c, lw=2.5, alpha=0.85, label=f'{mn} (AUC={ma:.3f}±{sa:.3f})')
|
| 355 |
+
plt.fill_between(r['base_fpr'], np.maximum(mt-st, 0), np.minimum(mt+st, 1), color=c, alpha=0.08)
|
| 356 |
+
plt.plot([0,1],[0,1],'--',lw=2,color='#9ca3af',alpha=0.5)
|
| 357 |
+
plt.xlim([-0.02,1.02]); plt.ylim([-0.02,1.02])
|
| 358 |
+
plt.xlabel('False Positive Rate',fontsize=13); plt.ylabel('True Positive Rate',fontsize=13)
|
| 359 |
+
plt.title('ROC Curves — Internal Cross-Validation',fontsize=15,fontweight='bold')
|
| 360 |
+
plt.legend(loc="lower right",fontsize=10); plt.grid(True,alpha=0.2); plt.tight_layout()
|
| 361 |
+
plt.savefig(os.path.join(rf,'roc_all.pdf'),format='pdf',bbox_inches='tight',dpi=300)
|
| 362 |
+
plt.savefig(os.path.join(rf,'roc_all.png'),format='png',bbox_inches='tight',dpi=150)
|
| 363 |
+
plt.close()
|
| 364 |
+
|
| 365 |
+
# ── PR ──
|
| 366 |
+
progress(0.52, desc="📈 绘制PR曲线...")
|
| 367 |
+
plt.figure(figsize=(12, 10))
|
| 368 |
+
for i, mn in enumerate(mnames):
|
| 369 |
+
r = amr[mn]; pra = []
|
| 370 |
+
for tri, tei in skf.split(X, y):
|
| 371 |
+
cf2 = mcfg[mn]; mpr = deepcopy(cf2['model'])
|
| 372 |
+
bp2 = bpd[mn]
|
| 373 |
+
if isinstance(bp2, dict) and bp2: mpr.set_params(**bp2)
|
| 374 |
+
mpr.fit(X.iloc[tri].values, y.iloc[tri])
|
| 375 |
+
yp2 = mpr.predict_proba(X.iloc[tei].values)[:,1]
|
| 376 |
+
pc, rc, _ = precision_recall_curve(y.iloc[tei], yp2)
|
| 377 |
+
pra.append(auc_score(rc, pc))
|
| 378 |
+
mpr_v = np.mean(pra); spr = np.std(pra)
|
| 379 |
+
pa, ra, _ = precision_recall_curve(r['all_y_true'], r['all_y_probs'])
|
| 380 |
+
plt.plot(ra, pa, color=COLORS[i%8], lw=2.5, alpha=0.85, label=f'{mn} (AUPRC={mpr_v:.3f}±{spr:.3f})')
|
| 381 |
+
plt.xlim([-0.02,1.02]); plt.ylim([-0.02,1.02])
|
| 382 |
+
plt.xlabel('Recall',fontsize=13); plt.ylabel('Precision',fontsize=13)
|
| 383 |
+
plt.title('Precision-Recall Curves — Internal CV',fontsize=15,fontweight='bold')
|
| 384 |
+
plt.legend(loc="lower left",fontsize=10); plt.grid(True,alpha=0.2); plt.tight_layout()
|
| 385 |
+
plt.savefig(os.path.join(rf,'pr_all.pdf'),format='pdf',bbox_inches='tight',dpi=300)
|
| 386 |
+
plt.savefig(os.path.join(rf,'pr_all.png'),format='png',bbox_inches='tight',dpi=150)
|
| 387 |
+
plt.close()
|
| 388 |
+
|
| 389 |
+
# ── CM ──
|
| 390 |
+
progress(0.55, desc="📊 绘制混淆矩阵...")
|
| 391 |
+
nc = min(4, nm); nr = (nm+nc-1)//nc
|
| 392 |
+
fig, axes = plt.subplots(nr, nc, figsize=(4.2*nc, 4.2*nr))
|
| 393 |
+
if nm == 1: axes = np.array([axes])
|
| 394 |
+
af = axes.flatten()
|
| 395 |
+
for i, mn in enumerate(mnames):
|
| 396 |
+
r = amr[mn]; ypc = (r['all_y_probs']>=r['optimal_threshold']).astype(int)
|
| 397 |
+
cm = confusion_matrix(r['all_y_true'], ypc)
|
| 398 |
+
sns.heatmap(cm, annot=True, fmt='d', cmap='Blues', cbar=False,
|
| 399 |
+
xticklabels=['Neg','Pos'], yticklabels=['Neg','Pos'], ax=af[i], annot_kws={'fontsize':12})
|
| 400 |
+
af[i].set_xlabel('Predicted'); af[i].set_ylabel('True')
|
| 401 |
+
acc = (cm[0,0]+cm[1,1])/cm.sum()
|
| 402 |
+
af[i].set_title(f'{mn} (Acc={acc:.3f})',fontsize=12,fontweight='bold')
|
| 403 |
+
for i in range(nm, len(af)): af[i].set_visible(False)
|
| 404 |
+
plt.suptitle('Confusion Matrices',fontsize=15,fontweight='bold',y=1.0)
|
| 405 |
+
plt.tight_layout()
|
| 406 |
+
plt.savefig(os.path.join(rf,'confusion_matrices.pdf'),format='pdf',bbox_inches='tight',dpi=300)
|
| 407 |
+
plt.savefig(os.path.join(rf,'confusion_matrices.png'),format='png',bbox_inches='tight',dpi=150)
|
| 408 |
+
plt.close()
|
| 409 |
+
|
| 410 |
+
# ── DeLong ──
|
| 411 |
+
progress(0.58, desc="🔬 DeLong检验...")
|
| 412 |
+
bmn = max(amr, key=lambda x: amr[x]['mean_auc'])
|
| 413 |
+
bma = amr[bmn]['mean_auc']
|
| 414 |
+
log(f"\n 🏆 最佳模型: {bmn} (AUC={bma:.4f})")
|
| 415 |
+
dlr = []; retained = [bmn]
|
| 416 |
+
for om in mnames:
|
| 417 |
+
if om == bmn: continue
|
| 418 |
+
try: pv, a1, a2 = delong_roc_test(amr[bmn]['all_y_true'], amr[bmn]['all_y_probs'], amr[om]['all_y_probs'])
|
| 419 |
+
except: pv=1.0; a1=bma; a2=amr[om]['mean_auc']
|
| 420 |
+
if pv >= ALP: retained.append(om); dec = "保留"
|
| 421 |
+
else: dec = "排除"
|
| 422 |
+
dlr.append({'Model1': bmn, 'AUC1': a1, 'Model2': om, 'AUC2': a2, 'P': pv, 'Decision': dec})
|
| 423 |
+
log(f" {bmn} vs {om}: P={pv:.2e} → {dec}")
|
| 424 |
+
dldf = pd.DataFrame(dlr).sort_values('P', ascending=False) if dlr else pd.DataFrame()
|
| 425 |
+
log(f" ✅ 保留 {len(retained)} 个模型: {', '.join(retained)}")
|
| 426 |
+
|
| 427 |
+
# ── SHAP ──
|
| 428 |
+
progress(0.62, desc="🔥 SHAP分析...")
|
| 429 |
+
log(f"\n 🔥 SHAP特征分析...")
|
| 430 |
+
shap_imp = {}
|
| 431 |
+
for si, mn in enumerate(retained):
|
| 432 |
+
progress(0.62+0.10*si/len(retained), desc=f"🔥 SHAP: {mn}...")
|
| 433 |
+
mo = tms[mn]['model']; Xshap = X.values
|
| 434 |
+
ns = min(SHAPSZ, Xshap.shape[0])
|
| 435 |
+
np.random.seed(RS); sidx = np.random.choice(Xshap.shape[0], ns, replace=False)
|
| 436 |
+
Xs = Xshap[sidx]
|
| 437 |
+
try:
|
| 438 |
+
if mn in ['RF','XGB','DT','AdaBoost']:
|
| 439 |
+
exp = shap.TreeExplainer(mo); sv = exp.shap_values(Xs)
|
| 440 |
+
if isinstance(sv, list): sv = sv[1]
|
| 441 |
+
else:
|
| 442 |
+
bg = Xs[np.random.choice(ns, min(100,ns), replace=False)]
|
| 443 |
+
exp = shap.KernelExplainer(lambda x, m=mo: m.predict_proba(x)[:,1], bg)
|
| 444 |
+
sv = exp.shap_values(Xs)
|
| 445 |
+
if isinstance(sv, list): sv = sv[0]
|
| 446 |
+
sv = np.array(sv)
|
| 447 |
+
if sv.ndim > 2: sv = sv[0]
|
| 448 |
+
fi = np.abs(sv).mean(0)
|
| 449 |
+
if fi.ndim > 1: fi = fi.flatten()
|
| 450 |
+
if len(fi) > len(fnames): fi = fi[:len(fnames)]
|
| 451 |
+
elif len(fi) < len(fnames): fi = np.pad(fi, (0, len(fnames)-len(fi)))
|
| 452 |
+
idf = pd.DataFrame({'Feature': fnames, 'Importance': fi}).sort_values('Importance', ascending=False)
|
| 453 |
+
shap_imp[mn] = idf
|
| 454 |
+
Xdf = pd.DataFrame(Xs, columns=fnames)
|
| 455 |
+
if sv.shape[1] > Xdf.shape[1]: sv = sv[:,:Xdf.shape[1]]
|
| 456 |
+
elif sv.shape[1] < Xdf.shape[1]: sv = np.hstack([sv, np.zeros((sv.shape[0], Xdf.shape[1]-sv.shape[1]))])
|
| 457 |
+
plt.figure(figsize=(12,8))
|
| 458 |
+
shap.summary_plot(sv, Xdf, plot_type="dot", show=False, max_display=TOPN)
|
| 459 |
+
plt.title(f'SHAP — {mn} (Top {TOPN})',fontsize=14,fontweight='bold'); plt.tight_layout()
|
| 460 |
+
plt.savefig(os.path.join(rf,f'shap_{mn}.pdf'),format='pdf',bbox_inches='tight')
|
| 461 |
+
plt.savefig(os.path.join(rf,f'shap_{mn}.png'),format='png',bbox_inches='tight',dpi=150)
|
| 462 |
+
plt.close()
|
| 463 |
+
log(f" ✅ {mn} Top3: {', '.join(idf.head(3)['Feature'].tolist())}")
|
| 464 |
+
except Exception as e:
|
| 465 |
+
log(f" ⚠ {mn} SHAP失败: {e}")
|
| 466 |
+
|
| 467 |
+
# ── Ablation ──
|
| 468 |
+
progress(0.75, desc="🧪 特征消融...")
|
| 469 |
+
log(f"\n 🧪 特征消融研究...")
|
| 470 |
+
ablr = {}
|
| 471 |
+
for mn in retained:
|
| 472 |
+
if mn not in shap_imp: continue
|
| 473 |
+
tfs = shap_imp[mn].head(TOPN)['Feature'].tolist()
|
| 474 |
+
fcs = []; aucs_a = []; asp = {}
|
| 475 |
+
for nf in range(1, len(tfs)+1):
|
| 476 |
+
Xsub = X[tfs[:nf]]
|
| 477 |
+
fa = []; syt = []; syp = []
|
| 478 |
+
for tri, tei in skf.split(Xsub, y):
|
| 479 |
+
mf = deepcopy(mcfg[mn]['model'])
|
| 480 |
+
bp2 = bpd.get(mn, {})
|
| 481 |
+
if isinstance(bp2, dict) and bp2: mf.set_params(**bp2)
|
| 482 |
+
mf.fit(Xsub.iloc[tri].values, y.iloc[tri])
|
| 483 |
+
yp2 = mf.predict_proba(Xsub.iloc[tei].values)[:,1]
|
| 484 |
+
syt.extend(y.iloc[tei]); syp.extend(yp2)
|
| 485 |
+
fa.append(roc_auc_score(y.iloc[tei], yp2))
|
| 486 |
+
fcs.append(nf); aucs_a.append(np.mean(fa))
|
| 487 |
+
asp[nf] = {'yt': np.array(syt), 'yp': np.array(syp)}
|
| 488 |
+
fp = amr[mn]['all_y_probs']; fauc = amr[mn]['mean_auc']; optn = None; adl = []
|
| 489 |
+
for nf in range(1, len(tfs)+1):
|
| 490 |
+
sd = asp[nf]; sa = aucs_a[nf-1]
|
| 491 |
+
try:
|
| 492 |
+
pv = delong_roc_test(sd['yt'], fp, sd['yp'])[0] if len(fp)==len(sd['yp']) else (0.1 if abs(sa-fauc)<=0.05 else 0.01)
|
| 493 |
+
except: pv = 0.1 if abs(sa-fauc)<=0.05 else 0.01
|
| 494 |
+
sig = "Sig" if pv < ALP else "NS"
|
| 495 |
+
adl.append({'N': nf, 'AUC': sa, 'Full_AUC': fauc, 'P': pv, 'Sig': sig})
|
| 496 |
+
if optn is None and pv >= ALP: optn = nf
|
| 497 |
+
ablr[mn] = {'fcs': fcs, 'aucs': aucs_a, 'tfs': tfs, 'dl': pd.DataFrame(adl),
|
| 498 |
+
'optn': optn or len(tfs), 'optf': tfs[:optn] if optn else tfs}
|
| 499 |
+
log(f" {mn}: 最优 {ablr[mn]['optn']} 个特征")
|
| 500 |
+
|
| 501 |
+
# Final model
|
| 502 |
+
fcands = {}
|
| 503 |
+
for mn in retained:
|
| 504 |
+
if mn in ablr:
|
| 505 |
+
ar = ablr[mn]
|
| 506 |
+
fcands[mn] = {'nf': ar['optn'], 'feats': ar['optf'], 'auc': ar['aucs'][ar['optn']-1]}
|
| 507 |
+
fmn = min(fcands, key=lambda x: fcands[x]['nf']) if fcands else None
|
| 508 |
+
fmi = fcands.get(fmn) if fmn else None
|
| 509 |
+
if fmn: log(f"\n ⭐ 最终模型: {fmn} ({fmi['nf']}特征, AUC={fmi['auc']:.4f})")
|
| 510 |
+
|
| 511 |
+
# Ablation plot
|
| 512 |
+
progress(0.80, desc="📈 消融曲线...")
|
| 513 |
+
plt.figure(figsize=(12,8))
|
| 514 |
+
for i, (mn, ar) in enumerate(ablr.items()):
|
| 515 |
+
c = COLORS[i%8]
|
| 516 |
+
plt.plot(ar['fcs'], ar['aucs'], marker='o', lw=2, ms=5, color=c, label=mn)
|
| 517 |
+
on = ar['optn']; oa = ar['aucs'][on-1]
|
| 518 |
+
plt.scatter([on],[oa], s=200, marker='*', color=c, edgecolors='black', lw=2, zorder=5)
|
| 519 |
+
plt.xlabel('Number of Features',fontsize=13); plt.ylabel('AUC',fontsize=13)
|
| 520 |
+
plt.title('Feature Ablation (★=Optimal)',fontsize=15,fontweight='bold')
|
| 521 |
+
plt.legend(fontsize=11); plt.grid(True,alpha=0.2); plt.tight_layout()
|
| 522 |
+
plt.savefig(os.path.join(rf,'ablation.pdf'),format='pdf',bbox_inches='tight')
|
| 523 |
+
plt.savefig(os.path.join(rf,'ablation.png'),format='png',bbox_inches='tight',dpi=150)
|
| 524 |
+
plt.close()
|
| 525 |
+
|
| 526 |
+
# DCA — Internal (标准临床格式)
|
| 527 |
+
progress(0.83, desc="📈 DCA曲线...")
|
| 528 |
+
dca_probs = {mn: amr[mn]['all_y_probs'] for mn in retained}
|
| 529 |
+
plot_dca(amr[retained[0]]['all_y_true'], dca_probs,
|
| 530 |
+
'Decision Curve Analysis — Internal CV', 'dca', rf, final_model=fmn)
|
| 531 |
+
|
| 532 |
+
# ── External Validation (支持多个验证集) ──
|
| 533 |
+
val_files_list = []
|
| 534 |
+
for vf in [val_file1, val_file2, val_file3]:
|
| 535 |
+
if vf is not None:
|
| 536 |
+
val_files_list.append(vf)
|
| 537 |
+
|
| 538 |
+
if val_files_list and fmn:
|
| 539 |
+
progress(0.86, desc="🧪 外部验证...")
|
| 540 |
+
log(f"\n{'━'*50}")
|
| 541 |
+
log(f" 🧪 外部验证 ({len(val_files_list)} 个验证集)")
|
| 542 |
+
|
| 543 |
+
for vi, vf in enumerate(val_files_list, 1):
|
| 544 |
+
vp = vf if isinstance(vf, str) else getattr(vf, 'name', str(vf))
|
| 545 |
+
ed = pd.read_csv(vp); Xe = ed.iloc[:,2:]; ye = ed.iloc[:,0]
|
| 546 |
+
ule = sorted(ye.unique())
|
| 547 |
+
if set(ule)!={0,1}: lme={ule[0]:0,ule[1]:1}; ye=ye.map(lme)
|
| 548 |
+
log(f"\n 📊 验证集 {vi}: {Xe.shape[0]} 样本, {os.path.basename(vp)}")
|
| 549 |
+
|
| 550 |
+
Xes = Xe[fmi['feats']]; Xtf = X[fmi['feats']]
|
| 551 |
+
fm = deepcopy(mcfg[fmn]['model'])
|
| 552 |
+
bp3 = bpd[fmn]
|
| 553 |
+
if isinstance(bp3, dict) and bp3: fm.set_params(**bp3)
|
| 554 |
+
fm.fit(Xtf.values, y)
|
| 555 |
+
yep = fm.predict_proba(Xes.values)[:,1]; yed = (yep>0.5).astype(int)
|
| 556 |
+
tn,fp,fn,tp = confusion_matrix(ye,yed).ravel()
|
| 557 |
+
se=tp/(tp+fn) if tp+fn else 0; sp=tn/(tn+fp) if tn+fp else 0
|
| 558 |
+
ac=(tp+tn)/(tp+tn+fp+fn); pr=tp/(tp+fp) if tp+fp else 0
|
| 559 |
+
f1v=2*pr*se/(pr+se) if pr+se else 0; ea=roc_auc_score(ye,yep)
|
| 560 |
+
log(f" ✅ AUC={ea:.4f} Acc={ac:.4f} Sens={se:.4f} Spec={sp:.4f} F1={f1v:.4f}")
|
| 561 |
+
|
| 562 |
+
sfx = f'_ext{vi}' if len(val_files_list) > 1 else '_ext'
|
| 563 |
+
tag = f'Validation {vi}' if len(val_files_list) > 1 else 'External'
|
| 564 |
+
|
| 565 |
+
# ROC
|
| 566 |
+
fe,te,_ = roc_curve(ye,yep)
|
| 567 |
+
plt.figure(figsize=(10,8))
|
| 568 |
+
plt.plot(fe,te,'#2563eb',lw=2.5,label=f'{fmn} (AUC={ea:.3f})')
|
| 569 |
+
plt.plot([0,1],[0,1],'--',color='gray'); plt.xlabel('FPR'); plt.ylabel('TPR')
|
| 570 |
+
plt.title(f'ROC — {tag} ({fmn})',fontweight='bold'); plt.legend(); plt.grid(True,alpha=0.2); plt.tight_layout()
|
| 571 |
+
plt.savefig(os.path.join(rf,f'roc{sfx}.pdf'),format='pdf',bbox_inches='tight')
|
| 572 |
+
plt.savefig(os.path.join(rf,f'roc{sfx}.png'),format='png',bbox_inches='tight',dpi=150)
|
| 573 |
+
plt.close()
|
| 574 |
+
|
| 575 |
+
# PR
|
| 576 |
+
pe,re,_ = precision_recall_curve(ye,yep)
|
| 577 |
+
plt.figure(figsize=(10,8))
|
| 578 |
+
plt.plot(re,pe,'#2563eb',lw=2.5,label=fmn); plt.xlabel('Recall'); plt.ylabel('Precision')
|
| 579 |
+
plt.title(f'PR — {tag} ({fmn})',fontweight='bold'); plt.legend(); plt.grid(True,alpha=0.2); plt.tight_layout()
|
| 580 |
+
plt.savefig(os.path.join(rf,f'pr{sfx}.pdf'),format='pdf',bbox_inches='tight')
|
| 581 |
+
plt.savefig(os.path.join(rf,f'pr{sfx}.png'),format='png',bbox_inches='tight',dpi=150)
|
| 582 |
+
plt.close()
|
| 583 |
+
|
| 584 |
+
# CM
|
| 585 |
+
cme = confusion_matrix(ye,yed)
|
| 586 |
+
plt.figure(figsize=(8,6))
|
| 587 |
+
sns.heatmap(cme,annot=True,fmt='d',cmap='Blues',cbar=False,xticklabels=['Neg','Pos'],yticklabels=['Neg','Pos'])
|
| 588 |
+
plt.xlabel('Predicted'); plt.ylabel('True')
|
| 589 |
+
plt.title(f'CM — {tag} ({fmn})',fontweight='bold'); plt.tight_layout()
|
| 590 |
+
plt.savefig(os.path.join(rf,f'cm{sfx}.pdf'),format='pdf',bbox_inches='tight')
|
| 591 |
+
plt.savefig(os.path.join(rf,f'cm{sfx}.png'),format='png',bbox_inches='tight',dpi=150)
|
| 592 |
+
plt.close()
|
| 593 |
+
|
| 594 |
+
# DCA — 标准临床格式
|
| 595 |
+
plot_dca(ye, {fmn: yep}, f'DCA — {tag} ({fmn})', f'dca{sfx}', rf)
|
| 596 |
+
|
| 597 |
+
# Excel
|
| 598 |
+
with pd.ExcelWriter(os.path.join(rf,f'validation{sfx}.xlsx'),engine='openpyxl') as w:
|
| 599 |
+
pd.DataFrame([{'Model':fmn,'N_Features':fmi['nf'],'AUC':ea,'Accuracy':ac,
|
| 600 |
+
'Sensitivity':se,'Specificity':sp,'Precision':pr,'F1':f1v}]).to_excel(w,sheet_name='Metrics',index=False)
|
| 601 |
+
pd.DataFrame({'Feature':fmi['feats']}).to_excel(w,sheet_name='Features',index=False)
|
| 602 |
+
|
| 603 |
+
# ── Save Excels ──
|
| 604 |
+
progress(0.92, desc="💾 保存结果...")
|
| 605 |
+
log(f"\n 💾 保存结果文件...")
|
| 606 |
+
with pd.ExcelWriter(os.path.join(rf,'model_evaluation.xlsx'),engine='openpyxl') as w:
|
| 607 |
+
for mn, r in amr.items(): r['results_df'].to_excel(w,sheet_name=mn,index=False)
|
| 608 |
+
sd = []
|
| 609 |
+
for mn, r in amr.items():
|
| 610 |
+
rw = r['results_df'].iloc[-1].to_dict()
|
| 611 |
+
rw.update({'Model':mn,'Retained':'Yes' if mn in retained else 'No','Final':'Yes' if mn==fmn else 'No'})
|
| 612 |
+
sd.append(rw)
|
| 613 |
+
sdf = pd.DataFrame(sd)
|
| 614 |
+
cols = ['Model','Retained','Final']+[c for c in sdf.columns if c not in ['Model','Fold','Retained','Final']]
|
| 615 |
+
sdf[cols].sort_values('AUC',ascending=False).to_excel(w,sheet_name='Summary',index=False)
|
| 616 |
+
if len(dldf)>0: dldf.to_excel(w,sheet_name='DeLong',index=False)
|
| 617 |
+
|
| 618 |
+
with pd.ExcelWriter(os.path.join(rf,'feature_ablation.xlsx'),engine='openpyxl') as w:
|
| 619 |
+
for mn, ar in ablr.items():
|
| 620 |
+
pd.DataFrame({'N':ar['fcs'],'AUC':ar['aucs']}).to_excel(w,sheet_name=mn,index=False)
|
| 621 |
+
if 'dl' in ar: ar['dl'].to_excel(w,sheet_name=f'{mn}_DL',index=False)
|
| 622 |
+
for mn, idf in shap_imp.items():
|
| 623 |
+
idf.to_excel(w,sheet_name=f'{mn}_Imp',index=False)
|
| 624 |
+
|
| 625 |
+
with open(os.path.join(rf,'best_params.txt'),'w',encoding='utf-8') as f:
|
| 626 |
+
f.write("模型最佳超参数\n"+"="*50+"\n\n")
|
| 627 |
+
for mn in mcfg:
|
| 628 |
+
f.write(f"模型: {mn}\n")
|
| 629 |
+
bp = bpd[mn]
|
| 630 |
+
if isinstance(bp,dict):
|
| 631 |
+
for k,v in bp.items(): f.write(f" {k}: {v}\n")
|
| 632 |
+
else: f.write(f" {bp}\n")
|
| 633 |
+
f.write(f" AUC: {amr[mn]['mean_auc']:.4f}\n 保留: {'是' if mn in retained else '否'}\n\n")
|
| 634 |
+
if fmn: f.write(f"\n最终模型: {fmn}\n特征({fmi['nf']}): {', '.join(fmi['feats'])}\n")
|
| 635 |
+
|
| 636 |
+
if fmn:
|
| 637 |
+
pickle.dump({'model_name':fmn,'model':tms[fmn]['model'],'best_params':bpd[fmn],
|
| 638 |
+
'features':fmi['feats'],'n_features':fmi['nf'],'auc':fmi['auc'],
|
| 639 |
+
'threshold':amr[fmn]['optimal_threshold']},
|
| 640 |
+
open(os.path.join(rf,f'model_{fmn}.pkl'),'wb'))
|
| 641 |
+
|
| 642 |
+
# ── ZIP ──
|
| 643 |
+
progress(0.97, desc="📦 打包ZIP...")
|
| 644 |
+
# 使用唯一文件名避免多用户冲突
|
| 645 |
+
zp = os.path.join(tempfile.gettempdir(), f"ml_results_{int(time.time())}_{os.getpid()}.zip")
|
| 646 |
+
with zipfile.ZipFile(zp,'w',zipfile.ZIP_DEFLATED) as zf:
|
| 647 |
+
for root,_,files in os.walk(rf):
|
| 648 |
+
for fn in files: zf.write(os.path.join(root,fn), os.path.relpath(os.path.join(root,fn),rf))
|
| 649 |
+
|
| 650 |
+
nf = sum(len(f) for _,_,f in os.walk(rf))
|
| 651 |
+
|
| 652 |
+
# 立即清理临时结果文件夹(ZIP已打包完毕)
|
| 653 |
+
shutil.rmtree(rf, ignore_errors=True)
|
| 654 |
+
gc.collect()
|
| 655 |
+
|
| 656 |
+
log(f"\n{'━'*50}")
|
| 657 |
+
log(f" 🎉 分析完成!共 {nf} 个文件已打包")
|
| 658 |
+
log(f" 💾 临时文件已自动清理")
|
| 659 |
+
log(f"{'━'*50}")
|
| 660 |
+
progress(1.0, desc="✅ 完成!")
|
| 661 |
+
return zp, "\n".join(L)
|
| 662 |
+
|
| 663 |
+
except Exception as e:
|
| 664 |
+
log(f"\n❌ 错误: {e}")
|
| 665 |
+
log(traceback.format_exc())
|
| 666 |
+
# 出错时也清理临时文件夹
|
| 667 |
+
if os.path.exists(rf):
|
| 668 |
+
shutil.rmtree(rf, ignore_errors=True)
|
| 669 |
+
gc.collect()
|
| 670 |
+
return None, "\n".join(L)
|
| 671 |
+
|
| 672 |
+
|
| 673 |
+
# ============================================================================
|
| 674 |
+
# Beautiful Gradio UI
|
| 675 |
+
# ============================================================================
|
| 676 |
+
CUSTOM_CSS = """
|
| 677 |
+
/* ── Header Banner ── */
|
| 678 |
+
.header-banner {
|
| 679 |
+
background: linear-gradient(135deg, #0a2463 0%, #1e3a7a 40%, #2554a8 100%);
|
| 680 |
+
border-radius: 16px;
|
| 681 |
+
padding: 28px 36px;
|
| 682 |
+
margin-bottom: 20px;
|
| 683 |
+
box-shadow: 0 8px 32px rgba(0,0,0,0.18);
|
| 684 |
+
position: relative;
|
| 685 |
+
overflow: hidden;
|
| 686 |
+
}
|
| 687 |
+
.header-banner::before {
|
| 688 |
+
content: '';
|
| 689 |
+
position: absolute;
|
| 690 |
+
top: -50%;
|
| 691 |
+
right: -20%;
|
| 692 |
+
width: 400px;
|
| 693 |
+
height: 400px;
|
| 694 |
+
background: radial-gradient(circle, rgba(96,165,250,0.2) 0%, transparent 70%);
|
| 695 |
+
border-radius: 50%;
|
| 696 |
+
}
|
| 697 |
+
.header-banner img {
|
| 698 |
+
max-height: 52px;
|
| 699 |
+
border-radius: 6px;
|
| 700 |
+
margin-bottom: 12px;
|
| 701 |
+
}
|
| 702 |
+
.header-banner h1 {
|
| 703 |
+
color: #e2e8f0 !important;
|
| 704 |
+
font-size: 1.7em !important;
|
| 705 |
+
margin: 4px 0 6px 0 !important;
|
| 706 |
+
font-weight: 700 !important;
|
| 707 |
+
letter-spacing: 0.5px;
|
| 708 |
+
}
|
| 709 |
+
.header-banner p {
|
| 710 |
+
color: #94a3b8 !important;
|
| 711 |
+
font-size: 0.92em !important;
|
| 712 |
+
margin: 2px 0 !important;
|
| 713 |
+
line-height: 1.6;
|
| 714 |
+
}
|
| 715 |
+
.header-banner .credit {
|
| 716 |
+
color: #64748b !important;
|
| 717 |
+
font-size: 0.82em !important;
|
| 718 |
+
margin-top: 10px !important;
|
| 719 |
+
border-top: 1px solid rgba(148,163,184,0.15);
|
| 720 |
+
padding-top: 10px;
|
| 721 |
+
}
|
| 722 |
+
|
| 723 |
+
/* ── Section Cards ── */
|
| 724 |
+
.section-title {
|
| 725 |
+
background: linear-gradient(90deg, #2563eb 0%, #3b82f6 100%);
|
| 726 |
+
color: white !important;
|
| 727 |
+
padding: 8px 16px;
|
| 728 |
+
border-radius: 8px;
|
| 729 |
+
font-size: 0.95em !important;
|
| 730 |
+
font-weight: 600 !important;
|
| 731 |
+
margin: 12px 0 8px 0;
|
| 732 |
+
letter-spacing: 0.3px;
|
| 733 |
+
}
|
| 734 |
+
|
| 735 |
+
/* ── Pipeline Steps ── */
|
| 736 |
+
.pipeline-box {
|
| 737 |
+
background: linear-gradient(135deg, #f0f9ff 0%, #e0f2fe 100%);
|
| 738 |
+
border: 1px solid #bae6fd;
|
| 739 |
+
border-radius: 12px;
|
| 740 |
+
padding: 14px 18px;
|
| 741 |
+
margin: 8px 0;
|
| 742 |
+
font-size: 0.88em;
|
| 743 |
+
}
|
| 744 |
+
.pipeline-box code {
|
| 745 |
+
background: #2563eb;
|
| 746 |
+
color: white;
|
| 747 |
+
padding: 2px 8px;
|
| 748 |
+
border-radius: 4px;
|
| 749 |
+
font-size: 0.85em;
|
| 750 |
+
margin: 0 2px;
|
| 751 |
+
}
|
| 752 |
+
|
| 753 |
+
/* ── Buttons ── */
|
| 754 |
+
.quick-btn {
|
| 755 |
+
border-radius: 8px !important;
|
| 756 |
+
font-weight: 500 !important;
|
| 757 |
+
transition: all 0.2s ease !important;
|
| 758 |
+
}
|
| 759 |
+
.quick-btn:hover {
|
| 760 |
+
transform: translateY(-1px) !important;
|
| 761 |
+
box-shadow: 0 4px 12px rgba(0,0,0,0.1) !important;
|
| 762 |
+
}
|
| 763 |
+
|
| 764 |
+
/* ── Log Area ── */
|
| 765 |
+
.log-area textarea {
|
| 766 |
+
font-family: 'Menlo', 'Consolas', 'Monaco', monospace !important;
|
| 767 |
+
font-size: 12.5px !important;
|
| 768 |
+
line-height: 1.5 !important;
|
| 769 |
+
background: #0f172a !important;
|
| 770 |
+
color: #e2e8f0 !important;
|
| 771 |
+
border-radius: 10px !important;
|
| 772 |
+
padding: 16px !important;
|
| 773 |
+
border: 1px solid #1e293b !important;
|
| 774 |
+
}
|
| 775 |
+
|
| 776 |
+
/* ── General Polish ── */
|
| 777 |
+
.gradio-container {
|
| 778 |
+
max-width: 1280px !important;
|
| 779 |
+
}
|
| 780 |
+
footer { display: none !important; }
|
| 781 |
+
"""
|
| 782 |
+
|
| 783 |
+
with gr.Blocks(
|
| 784 |
+
title="ML 二分类模型平台 — 复旦大学附属眼耳鼻喉科医院",
|
| 785 |
+
theme=gr.themes.Soft(primary_hue="blue", secondary_hue="slate", neutral_hue="slate"),
|
| 786 |
+
css=CUSTOM_CSS,
|
| 787 |
+
) as demo:
|
| 788 |
+
|
| 789 |
+
# ── Header ──
|
| 790 |
+
gr.HTML("""
|
| 791 |
+
<div class="header-banner">
|
| 792 |
+
<img src="https://huggingface.co/spaces/fudan-renjun/machine-learning-2/resolve/main/hospital_logo.png"
|
| 793 |
+
alt="Logo" onerror="this.style.display='none'"/>
|
| 794 |
+
<h1>🧬 ML 二分类模型训练与评估平台</h1>
|
| 795 |
+
<p>上传训练集与验证集 CSV,自动完成模型训练、交叉验证、统计检验、特征分析,结果打包下载</p>
|
| 796 |
+
<p class="credit">复旦大学附属眼耳鼻喉科医院 · 检验科 · 任俊</p>
|
| 797 |
+
</div>
|
| 798 |
+
""")
|
| 799 |
+
|
| 800 |
+
# ── Pipeline Info ──
|
| 801 |
+
gr.HTML("""
|
| 802 |
+
<div class="pipeline-box">
|
| 803 |
+
<strong>📋 分析流程:</strong>
|
| 804 |
+
<code>模型训练</code> → <code>交叉验证</code> → <code>DeLong检验</code> →
|
| 805 |
+
<code>SHAP分析</code> → <code>特征消融</code> → <code>外部验证</code>
|
| 806 |
+
|
|
| 807 |
+
<strong>CSV格式:</strong> 第1列=标签, 第2列=ID, 第3列起=特征
|
| 808 |
+
</div>
|
| 809 |
+
""")
|
| 810 |
+
|
| 811 |
+
with gr.Row(equal_height=False):
|
| 812 |
+
# ══ Left Panel ══
|
| 813 |
+
with gr.Column(scale=5):
|
| 814 |
+
|
| 815 |
+
gr.HTML('<div class="section-title">📂 数据上传</div>')
|
| 816 |
+
train_file = gr.File(label="训练集 CSV(必需)", file_types=[".csv"])
|
| 817 |
+
gr.HTML('<p style="color:#64748b;font-size:0.85em;margin:4px 0 8px 0;">验证集为可选项,支持同时上传 1~3 个验证集,分别生成独立的评估报告</p>')
|
| 818 |
+
with gr.Row():
|
| 819 |
+
val_file1 = gr.File(label="验证集 1(可选)", file_types=[".csv"], scale=1)
|
| 820 |
+
val_file2 = gr.File(label="验证集 2(可选)", file_types=[".csv"], scale=1)
|
| 821 |
+
val_file3 = gr.File(label="验证集 3(可选)", file_types=[".csv"], scale=1)
|
| 822 |
+
|
| 823 |
+
gr.HTML('<div class="section-title">🤖 模型选择</div>')
|
| 824 |
+
model_selector = gr.Dropdown(
|
| 825 |
+
choices=ALL_MODEL_NAMES,
|
| 826 |
+
value=ALL_MODEL_NAMES,
|
| 827 |
+
multiselect=True,
|
| 828 |
+
label="选择模型(可多选,默认全部)",
|
| 829 |
+
info="RF=随机森林 DT=决策树 KNN=K近邻 XGB=极限梯度提升 AdaBoost=自适应提升 LR=逻辑回归 NB=朴素贝叶斯 SVM=支持向量机",
|
| 830 |
+
)
|
| 831 |
+
with gr.Row():
|
| 832 |
+
btn_all = gr.Button("🔘 全选", size="sm", variant="secondary", elem_classes="quick-btn")
|
| 833 |
+
btn_tree = gr.Button("🌲 树模型", size="sm", variant="secondary", elem_classes="quick-btn")
|
| 834 |
+
btn_linear = gr.Button("📐 线性模型", size="sm", variant="secondary", elem_classes="quick-btn")
|
| 835 |
+
btn_top4 = gr.Button("⚡ 经典四模型", size="sm", variant="secondary", elem_classes="quick-btn")
|
| 836 |
+
btn_all.click(lambda: ALL_MODEL_NAMES, outputs=model_selector)
|
| 837 |
+
btn_tree.click(lambda: ['RF','DT','XGB','AdaBoost'], outputs=model_selector)
|
| 838 |
+
btn_linear.click(lambda: ['LR','SVM','NB'], outputs=model_selector)
|
| 839 |
+
btn_top4.click(lambda: ['RF','XGB','LR','SVM'], outputs=model_selector)
|
| 840 |
+
|
| 841 |
+
gr.HTML('<div class="section-title">⚙️ 参数配置</div>')
|
| 842 |
+
enable_tuning = gr.Checkbox(value=False, label="启用超参数调优 (GridSearchCV) ⚠️ 开启后运行时间显著增加")
|
| 843 |
+
with gr.Row():
|
| 844 |
+
cv_folds = gr.Slider(3, 10, value=5, step=1, label="交叉验证折数")
|
| 845 |
+
alpha_sl = gr.Slider(0.01, 0.10, value=0.05, step=0.01, label="DeLong 显著性水平 α")
|
| 846 |
+
with gr.Row():
|
| 847 |
+
top_n = gr.Slider(5, 50, value=20, step=1, label="SHAP 前 N 个特征")
|
| 848 |
+
shap_sz = gr.Slider(30, 200, value=80, step=10, label="SHAP 采样数量")
|
| 849 |
+
|
| 850 |
+
run_btn = gr.Button("🚀 开始分析", variant="primary", size="lg")
|
| 851 |
+
|
| 852 |
+
# ══ Right Panel ══
|
| 853 |
+
with gr.Column(scale=5):
|
| 854 |
+
gr.HTML('<div class="section-title">📋 运行日志</div>')
|
| 855 |
+
log_output = gr.Textbox(
|
| 856 |
+
label="", lines=22, max_lines=50, interactive=False,
|
| 857 |
+
placeholder="点击「开始分析」后,运行日志将在此实时显示...",
|
| 858 |
+
elem_classes="log-area",
|
| 859 |
+
)
|
| 860 |
+
|
| 861 |
+
gr.HTML('<div class="section-title">⬇️ 结果下载</div>')
|
| 862 |
+
zip_output = gr.File(label="分析结果 ZIP 压缩包")
|
| 863 |
+
|
| 864 |
+
# ── Connect ──
|
| 865 |
+
run_btn.click(
|
| 866 |
+
fn=run_pipeline,
|
| 867 |
+
inputs=[train_file, val_file1, val_file2, val_file3, model_selector, enable_tuning, cv_folds, alpha_sl, top_n, shap_sz],
|
| 868 |
+
outputs=[zip_output, log_output],
|
| 869 |
+
api_name="run",
|
| 870 |
+
)
|
| 871 |
+
|
| 872 |
+
# ============================================================================
|
| 873 |
+
# Authentication with Expiration
|
| 874 |
+
# ============================================================================
|
| 875 |
+
from datetime import datetime
|
| 876 |
+
|
| 877 |
+
# ┌─────────────────────────────────────────────────┐
|
| 878 |
+
# │ 账号配置 — 在这里修改账号、密码和有效期 │
|
| 879 |
+
# │ 格式: "用户名": {"password": "密码", │
|
| 880 |
+
# │ "expires": "YYYY-MM-DD"} │
|
| 881 |
+
# │ 如果不需要过期限制,设 "expires": None │
|
| 882 |
+
# └─────────────────────────────────────────────────┘
|
| 883 |
+
ACCOUNTS = {
|
| 884 |
+
"admin": {
|
| 885 |
+
"password": "admin123",
|
| 886 |
+
"expires": None, # 永不过期
|
| 887 |
+
},
|
| 888 |
+
"renjun": {
|
| 889 |
+
"password": "fudan2025",
|
| 890 |
+
"expires": "2026-12-31", # 2026年12月31日过期
|
| 891 |
+
},
|
| 892 |
+
"guest": {
|
| 893 |
+
"password": "guest888",
|
| 894 |
+
"expires": "2025-06-30", # 示例:已过期账号
|
| 895 |
+
},
|
| 896 |
+
}
|
| 897 |
+
|
| 898 |
+
def auth_fn(username, password):
|
| 899 |
+
"""验证账号密码 + 检查有效期"""
|
| 900 |
+
user = ACCOUNTS.get(username)
|
| 901 |
+
if not user:
|
| 902 |
+
return False
|
| 903 |
+
if user["password"] != password:
|
| 904 |
+
return False
|
| 905 |
+
if user["expires"] is not None:
|
| 906 |
+
try:
|
| 907 |
+
exp_date = datetime.strptime(user["expires"], "%Y-%m-%d")
|
| 908 |
+
if datetime.now() > exp_date:
|
| 909 |
+
return False
|
| 910 |
+
except ValueError:
|
| 911 |
+
return False
|
| 912 |
+
return True
|
| 913 |
+
|
| 914 |
+
demo.queue()
|
| 915 |
+
demo.launch(
|
| 916 |
+
server_name="0.0.0.0",
|
| 917 |
+
server_port=7860,
|
| 918 |
+
auth=auth_fn,
|
| 919 |
+
auth_message="🔐 复旦大学附属眼耳鼻喉科医院 · ML分析平台\n请输入账号和密码登录",
|
| 920 |
+
ssr_mode=False,
|
| 921 |
+
)
|