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Browse files- baseline_model.py +419 -0
- react_one.py +93 -0
- study_model.py +419 -0
baseline_model.py
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| 1 |
+
# train_blend_ftt_lgbm.py
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| 2 |
+
# FT-Transformer (weighted MAE + 5-Fold OOF) + LightGBM (5-Fold OOF) + OOF blending
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| 3 |
+
# pip install pandas numpy scikit-learn torch lightgbm openpyxl
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| 4 |
+
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| 5 |
+
import os, math, json, random, pathlib
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| 6 |
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import numpy as np
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| 7 |
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import pandas as pd
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| 8 |
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from typing import List, Tuple
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| 9 |
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from sklearn.model_selection import KFold
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| 10 |
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from sklearn.preprocessing import StandardScaler
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| 11 |
+
from sklearn.metrics import mean_absolute_error
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| 12 |
+
import lightgbm as lgb
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| 13 |
+
import torch
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| 14 |
+
import torch.nn as nn
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| 15 |
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from torch.utils.data import Dataset, DataLoader
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| 16 |
+
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| 17 |
+
# =========================
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| 18 |
+
# Config
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| 19 |
+
# =========================
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| 20 |
+
SEED = 42
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| 21 |
+
DATA_PATH = r"C:\Users\KDT10\OneDrive\바탕 화면\AutoForm\데이터통합.xlsx" # .xlsx 또는 .csv
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| 22 |
+
TARGET = "max_failure"
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| 23 |
+
CAT_COL = "material" # 범주형
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| 24 |
+
NUM_COLS = ["thickness","diameter","degree","upper_radius","lower_radius","LB","RB"] # 필요 시 물성/파생변수 추가
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| 25 |
+
N_SPLITS = 5
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| 26 |
+
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| 27 |
+
# FT-Transformer 하이퍼파라미터 (튜닝안)
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| 28 |
+
D_MODEL = 256
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| 29 |
+
NHEAD = 8
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| 30 |
+
LAYERS = 6
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| 31 |
+
DIM_FF = 1024
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| 32 |
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DROPOUT = 0.25
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| 33 |
+
EPOCHS = 500
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| 34 |
+
PATIENCE = 50
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| 35 |
+
LR = 5e-4
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| 36 |
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WEIGHT_DECAY = 2e-4
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| 37 |
+
BATCH_TRAIN = 256
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| 38 |
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BATCH_VAL = 512
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| 39 |
+
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| 40 |
+
# LightGBM 하이퍼파라미터
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| 41 |
+
LGB_PARAMS = {
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| 42 |
+
"objective": "mae",
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| 43 |
+
"metric": "mae",
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| 44 |
+
"learning_rate": 0.05,
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| 45 |
+
"num_leaves": 31,
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| 46 |
+
"feature_fraction": 0.9,
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| 47 |
+
"bagging_fraction": 0.9,
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| 48 |
+
"bagging_freq": 1,
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| 49 |
+
"min_data_in_leaf": 20,
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| 50 |
+
"verbosity": -1,
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| 51 |
+
"seed": SEED,
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| 52 |
+
}
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| 53 |
+
NUM_BOOST_ROUND = 8000
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| 54 |
+
EARLY_STOP = 400
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| 55 |
+
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| 56 |
+
ART_DIR = "artifacts_blend"
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| 57 |
+
os.makedirs(ART_DIR, exist_ok=True)
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| 58 |
+
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| 59 |
+
# =========================
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| 60 |
+
# Utils
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| 61 |
+
# =========================
|
| 62 |
+
def get_safe_device():
|
| 63 |
+
"""CUDA가 실제 사용 가능한지 미리 검증하고, 실패 시 CPU로 폴백."""
|
| 64 |
+
if torch.cuda.is_available():
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| 65 |
+
try:
|
| 66 |
+
_ = torch.zeros(1, device="cuda")
|
| 67 |
+
torch.cuda.synchronize()
|
| 68 |
+
print("[INFO] Using CUDA")
|
| 69 |
+
return torch.device("cuda")
|
| 70 |
+
except Exception as e:
|
| 71 |
+
print(f"[WARN] CUDA available but failed to initialize: {e}")
|
| 72 |
+
print("[INFO] Using CPU")
|
| 73 |
+
return torch.device("cpu")
|
| 74 |
+
|
| 75 |
+
def set_seed(seed: int, device: torch.device):
|
| 76 |
+
random.seed(seed)
|
| 77 |
+
np.random.seed(seed)
|
| 78 |
+
torch.manual_seed(seed)
|
| 79 |
+
if device.type == "cuda":
|
| 80 |
+
try:
|
| 81 |
+
torch.cuda.manual_seed_all(seed)
|
| 82 |
+
except Exception as e:
|
| 83 |
+
print(f"[WARN] torch.cuda.manual_seed_all failed: {e}")
|
| 84 |
+
|
| 85 |
+
def read_table(path: str) -> pd.DataFrame:
|
| 86 |
+
p = pathlib.Path(path)
|
| 87 |
+
if p.suffix.lower() in (".xlsx", ".xls"):
|
| 88 |
+
return pd.read_excel(p) # openpyxl 필요
|
| 89 |
+
return pd.read_csv(p)
|
| 90 |
+
|
| 91 |
+
def ensure_categorical(df: pd.DataFrame, col: str) -> pd.DataFrame:
|
| 92 |
+
df = df.copy()
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| 93 |
+
df[col] = df[col].astype(str).astype("category")
|
| 94 |
+
return df
|
| 95 |
+
|
| 96 |
+
def tukey_biweight_weights_by_group(df, target=TARGET, group=CAT_COL, c=4.685, eps=1e-9):
|
| 97 |
+
"""재질별 median/IQR 기준 Tukey biweight 가중치(0~1)"""
|
| 98 |
+
df = df.copy()
|
| 99 |
+
w = np.ones(len(df), dtype=np.float32)
|
| 100 |
+
for g, idx in df.groupby(group).groups.items():
|
| 101 |
+
y = df.loc[idx, target].astype(float)
|
| 102 |
+
med = np.median(y)
|
| 103 |
+
q1, q3 = np.percentile(y, 25), np.percentile(y, 75)
|
| 104 |
+
iqr = max(q3 - q1, eps)
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| 105 |
+
u = (y - med) / (c * iqr)
|
| 106 |
+
w_g = np.where(np.abs(u) < 1, (1 - u**2)**2, 0.0)
|
| 107 |
+
w[idx] = w_g.astype(np.float32)
|
| 108 |
+
return np.clip(w, 0.05, 1.0).astype(np.float32)
|
| 109 |
+
|
| 110 |
+
def search_best_alpha(oof_a: np.ndarray, oof_b: np.ndarray, y_true: np.ndarray):
|
| 111 |
+
alphas = np.linspace(0.0, 1.0, 1001) # 0.0001 간격 정밀 탐색
|
| 112 |
+
best_a, best_mae = None, 1e9
|
| 113 |
+
for a in alphas:
|
| 114 |
+
blend = a*oof_a + (1-a)*oof_b
|
| 115 |
+
mae = mean_absolute_error(y_true, blend)
|
| 116 |
+
if mae < best_mae:
|
| 117 |
+
best_a, best_mae = a, mae
|
| 118 |
+
return best_a, best_mae
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| 119 |
+
|
| 120 |
+
# =========================
|
| 121 |
+
# Dataset / Model
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| 122 |
+
# =========================
|
| 123 |
+
class TabDataset(Dataset):
|
| 124 |
+
def __init__(self, mat_ids, num_feats, target=None, weights=None):
|
| 125 |
+
self.mat_ids = torch.tensor(mat_ids, dtype=torch.long)
|
| 126 |
+
self.num_feats = torch.tensor(num_feats, dtype=torch.float32)
|
| 127 |
+
self.target = None if target is None else torch.tensor(target, dtype=torch.float32).view(-1,1)
|
| 128 |
+
self.weights = None if weights is None else torch.tensor(weights, dtype=torch.float32).view(-1,1)
|
| 129 |
+
def __len__(self): return len(self.mat_ids)
|
| 130 |
+
def __getitem__(self, i):
|
| 131 |
+
if self.target is None:
|
| 132 |
+
return self.mat_ids[i], self.num_feats[i]
|
| 133 |
+
if self.weights is None:
|
| 134 |
+
return self.mat_ids[i], self.num_feats[i], self.target[i]
|
| 135 |
+
return self.mat_ids[i], self.num_feats[i], self.target[i], self.weights[i]
|
| 136 |
+
|
| 137 |
+
class FTTransformer(nn.Module):
|
| 138 |
+
def __init__(self, n_materials:int, n_num:int, d_model:int=128, nhead:int=8,
|
| 139 |
+
num_layers:int=4, dim_ff:int=256, dropout:float=0.2):
|
| 140 |
+
super().__init__()
|
| 141 |
+
self.mat_emb = nn.Embedding(n_materials, d_model)
|
| 142 |
+
self.num_linears = nn.ModuleList([nn.Linear(1, d_model) for _ in range(n_num)])
|
| 143 |
+
self.cls = nn.Parameter(torch.zeros(1, 1, d_model))
|
| 144 |
+
nn.init.trunc_normal_(self.cls, std=0.02)
|
| 145 |
+
enc_layer = nn.TransformerEncoderLayer(
|
| 146 |
+
d_model=d_model, nhead=nhead,
|
| 147 |
+
dim_feedforward=dim_ff, dropout=dropout,
|
| 148 |
+
batch_first=True, activation='gelu', norm_first=True
|
| 149 |
+
)
|
| 150 |
+
self.encoder = nn.TransformerEncoder(enc_layer, num_layers=num_layers)
|
| 151 |
+
self.head = nn.Sequential(
|
| 152 |
+
nn.LayerNorm(d_model),
|
| 153 |
+
nn.Linear(d_model, d_model),
|
| 154 |
+
nn.GELU(),
|
| 155 |
+
nn.Dropout(dropout),
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| 156 |
+
nn.Linear(d_model, 1)
|
| 157 |
+
)
|
| 158 |
+
def forward(self, mat_ids: torch.LongTensor, x_num: torch.FloatTensor):
|
| 159 |
+
B = x_num.size(0)
|
| 160 |
+
mat_tok = self.mat_emb(mat_ids).unsqueeze(1) # (B,1,d)
|
| 161 |
+
num_tok = torch.cat([lin(x_num[:, i:i+1]).unsqueeze(1) for i,lin in enumerate(self.num_linears)], dim=1)
|
| 162 |
+
tokens = torch.cat([self.cls.expand(B, -1, -1), mat_tok, num_tok], dim=1)
|
| 163 |
+
h = self.encoder(tokens)
|
| 164 |
+
return self.head(h[:, 0, :]) # (B,1)
|
| 165 |
+
|
| 166 |
+
def weighted_l1_loss(pred, y, w):
|
| 167 |
+
return (w * (pred - y).abs()).sum() / (w.sum() + 1e-9)
|
| 168 |
+
|
| 169 |
+
def val_mae(model, loader, device):
|
| 170 |
+
model.eval()
|
| 171 |
+
mae, n = 0.0, 0
|
| 172 |
+
with torch.no_grad():
|
| 173 |
+
for batch in loader:
|
| 174 |
+
if len(batch) == 4:
|
| 175 |
+
m,x,y,_ = batch
|
| 176 |
+
else:
|
| 177 |
+
m,x,y = batch
|
| 178 |
+
m,x,y = m.to(device), x.to(device), y.to(device)
|
| 179 |
+
p = model(m,x)
|
| 180 |
+
mae += (p - y).abs().sum().item()
|
| 181 |
+
n += y.size(0)
|
| 182 |
+
return mae / n
|
| 183 |
+
|
| 184 |
+
# =========================
|
| 185 |
+
# Main
|
| 186 |
+
# =========================
|
| 187 |
+
def main():
|
| 188 |
+
# 안전 디바이스 결정 → 그 디바이스 기준으로 시드 설정
|
| 189 |
+
device = get_safe_device()
|
| 190 |
+
set_seed(SEED, device)
|
| 191 |
+
|
| 192 |
+
# ----- Load -----
|
| 193 |
+
df = read_table(DATA_PATH).copy()
|
| 194 |
+
need = [CAT_COL] + NUM_COLS + [TARGET]
|
| 195 |
+
missing = [c for c in need if c not in df.columns]
|
| 196 |
+
if missing: raise RuntimeError(f"입력 데이터에 없는 컬럼: {missing}")
|
| 197 |
+
df = df.dropna(subset=[TARGET]).reset_index(drop=True)
|
| 198 |
+
df = ensure_categorical(df, CAT_COL)
|
| 199 |
+
|
| 200 |
+
# 샘플 가중치(없으면 로버스트 가중치 생성)
|
| 201 |
+
if "sample_weight" in df.columns:
|
| 202 |
+
df["sample_weight"] = df["sample_weight"].astype(np.float32)
|
| 203 |
+
else:
|
| 204 |
+
df["sample_weight"] = tukey_biweight_weights_by_group(df, target=TARGET, group=CAT_COL, c=4.685)
|
| 205 |
+
|
| 206 |
+
# material → id
|
| 207 |
+
materials = sorted(df[CAT_COL].astype(str).unique())
|
| 208 |
+
mat2id = {m:i for i,m in enumerate(materials)}
|
| 209 |
+
df["_mat_id"] = df[CAT_COL].astype(str).map(mat2id).astype(int)
|
| 210 |
+
|
| 211 |
+
# 공통 어레이
|
| 212 |
+
X_num_full = df[NUM_COLS].values.astype(np.float32)
|
| 213 |
+
y_full = df[TARGET].values.astype(np.float32)
|
| 214 |
+
m_full = df["_mat_id"].values
|
| 215 |
+
w_full = df["sample_weight"].values.astype(np.float32)
|
| 216 |
+
|
| 217 |
+
# =========================
|
| 218 |
+
# 1) FT-Transformer 5-Fold OOF
|
| 219 |
+
# =========================
|
| 220 |
+
kf = KFold(n_splits=N_SPLITS, shuffle=True, random_state=SEED)
|
| 221 |
+
oof_dl = np.zeros(len(df), dtype=np.float32)
|
| 222 |
+
dl_models, dl_scalers = [], []
|
| 223 |
+
fold_summ_dl = []
|
| 224 |
+
|
| 225 |
+
for fold, (tr_idx, va_idx) in enumerate(kf.split(X_num_full), 1):
|
| 226 |
+
print(f"\n========== [DL] FOLD {fold}/{N_SPLITS} ==========")
|
| 227 |
+
# 스케일러 누수 방지
|
| 228 |
+
scaler = StandardScaler()
|
| 229 |
+
X_tr = scaler.fit_transform(X_num_full[tr_idx]).astype(np.float32)
|
| 230 |
+
X_va = scaler.transform(X_num_full[va_idx]).astype(np.float32)
|
| 231 |
+
y_tr, y_va = y_full[tr_idx], y_full[va_idx]
|
| 232 |
+
m_tr, m_va = m_full[tr_idx], m_full[va_idx]
|
| 233 |
+
w_tr, w_va = w_full[tr_idx], w_full[va_idx]
|
| 234 |
+
|
| 235 |
+
train_ds = TabDataset(m_tr, X_tr, y_tr, w_tr)
|
| 236 |
+
val_ds = TabDataset(m_va, X_va, y_va, w_va)
|
| 237 |
+
train_dl = DataLoader(train_ds, batch_size=BATCH_TRAIN, shuffle=True, num_workers=0)
|
| 238 |
+
val_dl = DataLoader(val_ds, batch_size=BATCH_VAL, shuffle=False, num_workers=0)
|
| 239 |
+
|
| 240 |
+
model = FTTransformer(
|
| 241 |
+
n_materials=len(materials), n_num=len(NUM_COLS),
|
| 242 |
+
d_model=D_MODEL, nhead=NHEAD, num_layers=LAYERS, dim_ff=DIM_FF, dropout=DROPOUT
|
| 243 |
+
)
|
| 244 |
+
# 디바이스 이동에 실패하면 CPU 폴백
|
| 245 |
+
try:
|
| 246 |
+
model = model.to(device)
|
| 247 |
+
except Exception as e:
|
| 248 |
+
print(f"[WARN] model.to({device}) failed: {e}. Falling back to CPU.")
|
| 249 |
+
device = torch.device("cpu")
|
| 250 |
+
model = model.to(device)
|
| 251 |
+
|
| 252 |
+
optim = torch.optim.AdamW(model.parameters(), lr=LR, weight_decay=WEIGHT_DECAY)
|
| 253 |
+
sched = torch.optim.lr_scheduler.CosineAnnealingWarmRestarts(optim, T_0=10)
|
| 254 |
+
|
| 255 |
+
best_mae, best_state, wait = 1e9, None, 0
|
| 256 |
+
for epoch in range(1, EPOCHS+1):
|
| 257 |
+
model.train()
|
| 258 |
+
for m,x,y,w in train_dl:
|
| 259 |
+
m,x,y,w = m.to(device), x.to(device), y.to(device), w.to(device)
|
| 260 |
+
optim.zero_grad(set_to_none=True)
|
| 261 |
+
pred = model(m,x)
|
| 262 |
+
loss = weighted_l1_loss(pred, y, w)
|
| 263 |
+
loss.backward()
|
| 264 |
+
torch.nn.utils.clip_grad_norm_(model.parameters(), 2.0)
|
| 265 |
+
optim.step()
|
| 266 |
+
sched.step(epoch)
|
| 267 |
+
|
| 268 |
+
mae = val_mae(model, val_dl, device)
|
| 269 |
+
print(f"[DL {epoch:03d}] VAL MAE={mae:.4f}")
|
| 270 |
+
if mae < best_mae - 1e-4:
|
| 271 |
+
best_mae, wait = mae, 0
|
| 272 |
+
best_state = {k:v.cpu().clone() for k,v in model.state_dict().items()}
|
| 273 |
+
else:
|
| 274 |
+
wait += 1
|
| 275 |
+
if wait >= PATIENCE:
|
| 276 |
+
print("Early stopping.")
|
| 277 |
+
break
|
| 278 |
+
|
| 279 |
+
# 복원 + fold 저장
|
| 280 |
+
if best_state is not None:
|
| 281 |
+
model.load_state_dict(best_state)
|
| 282 |
+
torch.save({
|
| 283 |
+
"state_dict": model.state_dict(),
|
| 284 |
+
"materials": materials,
|
| 285 |
+
"num_cols": NUM_COLS,
|
| 286 |
+
"scaler_mean": scaler.mean_, "scaler_scale": scaler.scale_,
|
| 287 |
+
}, os.path.join(ART_DIR, f"ftt_fold{fold}.pt"))
|
| 288 |
+
fold_summ_dl.append(best_mae)
|
| 289 |
+
print(f"[DL FOLD {fold}] best VAL MAE={best_mae:.4f}")
|
| 290 |
+
|
| 291 |
+
# ── OOF 채우기 (모델과 텐서를 같은 device에서)
|
| 292 |
+
try:
|
| 293 |
+
model = model.to(device)
|
| 294 |
+
except Exception as e:
|
| 295 |
+
print(f"[WARN] model.to({device}) failed during OOF: {e}. Falling back to CPU.")
|
| 296 |
+
device = torch.device("cpu")
|
| 297 |
+
model = model.to(device)
|
| 298 |
+
|
| 299 |
+
model.eval()
|
| 300 |
+
preds = []
|
| 301 |
+
with torch.no_grad():
|
| 302 |
+
val_loader = DataLoader(val_ds, batch_size=BATCH_VAL, shuffle=False, num_workers=0)
|
| 303 |
+
for batch in val_loader:
|
| 304 |
+
if len(batch)==4:
|
| 305 |
+
m,x,y,_ = batch
|
| 306 |
+
else:
|
| 307 |
+
m,x,y = batch
|
| 308 |
+
m,x = m.to(device), x.to(device)
|
| 309 |
+
p = model(m,x).cpu().numpy().ravel()
|
| 310 |
+
preds.append(p)
|
| 311 |
+
oof_dl[va_idx] = np.concatenate(preds).astype(np.float32)
|
| 312 |
+
|
| 313 |
+
# ── OOF 완료 후 CPU로 내려서 보관
|
| 314 |
+
dl_models.append(model.cpu())
|
| 315 |
+
dl_scalers.append(scaler)
|
| 316 |
+
|
| 317 |
+
oof_mae_dl = mean_absolute_error(y_full, oof_dl)
|
| 318 |
+
print("\n[DL] Fold best MAEs:", [f"{m:.4f}" for m in fold_summ_dl])
|
| 319 |
+
print(f"[DL] OOF MAE : {oof_mae_dl:.4f}")
|
| 320 |
+
pd.DataFrame({"y_true": y_full, "y_oof_dl": oof_dl}).to_csv(os.path.join(ART_DIR, "oof_dl.csv"), index=False)
|
| 321 |
+
|
| 322 |
+
# =========================
|
| 323 |
+
# 2) LightGBM 5-Fold OOF (callbacks로 조기 종료/로그)
|
| 324 |
+
# =========================
|
| 325 |
+
df = ensure_categorical(df, CAT_COL)
|
| 326 |
+
FEATS_GBDT = [CAT_COL] + NUM_COLS
|
| 327 |
+
X_gbdt = df[FEATS_GBDT].copy()
|
| 328 |
+
y = y_full
|
| 329 |
+
w = w_full
|
| 330 |
+
|
| 331 |
+
kf2 = KFold(n_splits=N_SPLITS, shuffle=True, random_state=SEED)
|
| 332 |
+
oof_lgbm = np.zeros(len(df), dtype=np.float32)
|
| 333 |
+
lgbm_models = []
|
| 334 |
+
fold_summ_lgb = []
|
| 335 |
+
|
| 336 |
+
for fold, (tr_idx, va_idx) in enumerate(kf2.split(X_gbdt), 1):
|
| 337 |
+
print(f"\n========== [LGBM] FOLD {fold}/{N_SPLITS} ==========")
|
| 338 |
+
X_tr, X_va = X_gbdt.iloc[tr_idx], X_gbdt.iloc[va_idx]
|
| 339 |
+
y_tr, y_va = y[tr_idx], y[va_idx]
|
| 340 |
+
w_tr, w_va = w[tr_idx], w[va_idx]
|
| 341 |
+
|
| 342 |
+
dtr = lgb.Dataset(X_tr, label=y_tr, weight=w_tr,
|
| 343 |
+
categorical_feature=[CAT_COL], free_raw_data=False)
|
| 344 |
+
dva = lgb.Dataset(X_va, label=y_va, weight=w_va,
|
| 345 |
+
categorical_feature=[CAT_COL], reference=dtr, free_raw_data=False)
|
| 346 |
+
|
| 347 |
+
callbacks = [
|
| 348 |
+
lgb.early_stopping(EARLY_STOP, verbose=False),
|
| 349 |
+
lgb.log_evaluation(100),
|
| 350 |
+
]
|
| 351 |
+
|
| 352 |
+
model = lgb.train(
|
| 353 |
+
LGB_PARAMS,
|
| 354 |
+
dtr,
|
| 355 |
+
num_boost_round=NUM_BOOST_ROUND,
|
| 356 |
+
valid_sets=[dtr, dva],
|
| 357 |
+
valid_names=["train","valid"],
|
| 358 |
+
callbacks=callbacks,
|
| 359 |
+
)
|
| 360 |
+
|
| 361 |
+
pred_va = model.predict(X_va, num_iteration=model.best_iteration)
|
| 362 |
+
oof_lgbm[va_idx] = pred_va.astype(np.float32)
|
| 363 |
+
mae = mean_absolute_error(y_va, pred_va)
|
| 364 |
+
fold_summ_lgb.append(mae)
|
| 365 |
+
print(f"[LGBM FOLD {fold}] VAL MAE={mae:.4f}")
|
| 366 |
+
model.save_model(os.path.join(ART_DIR, f"lgbm_fold{fold}.txt"),
|
| 367 |
+
num_iteration=model.best_iteration)
|
| 368 |
+
lgbm_models.append(model)
|
| 369 |
+
|
| 370 |
+
oof_mae_lgb = mean_absolute_error(y, oof_lgbm)
|
| 371 |
+
print("\n[LGBM] Fold MAEs:", [f"{m:.4f}" for m in fold_summ_lgb])
|
| 372 |
+
print(f"[LGBM] OOF MAE : {oof_mae_lgb:.4f}")
|
| 373 |
+
pd.DataFrame({"y_true": y, "y_oof_lgbm": oof_lgbm}).to_csv(os.path.join(ART_DIR, "oof_lgbm.csv"), index=False)
|
| 374 |
+
|
| 375 |
+
# =========================
|
| 376 |
+
# 3) OOF Blending (DL + LGBM)
|
| 377 |
+
# =========================
|
| 378 |
+
best_alpha, best_mae = search_best_alpha(oof_dl, oof_lgbm, y_full)
|
| 379 |
+
print(f"\n[BLEND] best α={best_alpha:.3f}, blended OOF MAE={best_mae:.4f}")
|
| 380 |
+
with open(os.path.join(ART_DIR, "blend_alpha.json"), "w") as f:
|
| 381 |
+
json.dump({"best_alpha": float(best_alpha), "oof_mae_blend": float(best_mae),
|
| 382 |
+
"oof_mae_dl": float(oof_mae_dl), "oof_mae_lgbm": float(oof_mae_lgb)}, f, indent=2)
|
| 383 |
+
|
| 384 |
+
# =========================
|
| 385 |
+
# 4) Inference helper (예시)
|
| 386 |
+
# =========================
|
| 387 |
+
def predict_dl_ensemble(df_new: pd.DataFrame) -> np.ndarray:
|
| 388 |
+
df_new = df_new.copy()
|
| 389 |
+
df_new["_mat_id"] = df_new[CAT_COL].astype(str).map(mat2id).fillna(0).astype(int)
|
| 390 |
+
Xn = df_new[NUM_COLS].values.astype(np.float32)
|
| 391 |
+
|
| 392 |
+
preds = []
|
| 393 |
+
for mdl, sc in zip(dl_models, dl_scalers):
|
| 394 |
+
x = sc.transform(Xn).astype(np.float32)
|
| 395 |
+
mdl.eval()
|
| 396 |
+
with torch.no_grad():
|
| 397 |
+
m_ids = torch.tensor(df_new["_mat_id"].values, dtype=torch.long)
|
| 398 |
+
x_t = torch.tensor(x, dtype=torch.float32)
|
| 399 |
+
p = mdl(m_ids, x_t).cpu().numpy().ravel()
|
| 400 |
+
preds.append(p)
|
| 401 |
+
return np.mean(preds, axis=0)
|
| 402 |
+
|
| 403 |
+
def predict_lgbm_ensemble(df_new: pd.DataFrame) -> np.ndarray:
|
| 404 |
+
Xn = df_new[[CAT_COL] + NUM_COLS].copy()
|
| 405 |
+
Xn[CAT_COL] = Xn[CAT_COL].astype(str).astype("category")
|
| 406 |
+
preds = [mdl.predict(Xn, num_iteration=mdl.best_iteration) for mdl in lgbm_models]
|
| 407 |
+
return np.mean(preds, axis=0)
|
| 408 |
+
|
| 409 |
+
with open(os.path.join(ART_DIR, "materials.json"), "w", encoding="utf-8") as f:
|
| 410 |
+
json.dump({"materials": materials}, f, ensure_ascii=False, indent=2)
|
| 411 |
+
with open(os.path.join(ART_DIR, "columns.json"), "w", encoding="utf-8") as f:
|
| 412 |
+
json.dump({"num_cols": NUM_COLS, "cat_col": CAT_COL, "target": TARGET}, f, ensure_ascii=False, indent=2)
|
| 413 |
+
|
| 414 |
+
print(f"\nArtifacts saved in: {ART_DIR}")
|
| 415 |
+
print("Use predict_dl_ensemble / predict_lgbm_ensemble, and blend with best_alpha for new data.")
|
| 416 |
+
|
| 417 |
+
if __name__ == "__main__":
|
| 418 |
+
device = get_safe_device()
|
| 419 |
+
main()
|
react_one.py
ADDED
|
@@ -0,0 +1,93 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# roofrail_filter_static.py
|
| 2 |
+
import numpy as np
|
| 3 |
+
import pandas as pd
|
| 4 |
+
|
| 5 |
+
# 최소 허용 R (전제)
|
| 6 |
+
R_MIN = 1.0
|
| 7 |
+
|
| 8 |
+
# 직경별 허용범위 (직접 정의)
|
| 9 |
+
# 구조: {직경: {각도: (상단R_max, 하단R_max)}}
|
| 10 |
+
CONSTRAINTS = {
|
| 11 |
+
17: {deg: (2.0, 5.0) for deg in range(62, 90)}, # 62~89°
|
| 12 |
+
18: {deg: (3.0, 5.0) for deg in range(65, 91)}, # 65~90°
|
| 13 |
+
19: {deg: (3.5, 4.5) for deg in range(66, 91)}, # 66~90°
|
| 14 |
+
20: {deg: (4.0, 4.0) for deg in range(69, 91)}, # 69~90°
|
| 15 |
+
21: {deg: (4.5, 3.0) for deg in range(72, 88)}, # 72~87°
|
| 16 |
+
22: {deg: (5.0, 2.5) for deg in range(75, 88)}, # 75~87°
|
| 17 |
+
}
|
| 18 |
+
|
| 19 |
+
# 소재별 thinning 허용치 (실제 기준)
|
| 20 |
+
THIN_LIMITS = {
|
| 21 |
+
"SPCUD": 0.25,
|
| 22 |
+
"SPCC": 0.21,
|
| 23 |
+
"SPRC340": 0.20,
|
| 24 |
+
"SPRC440": 0.17,
|
| 25 |
+
"SPFC590": 0.16,
|
| 26 |
+
"SPFC780": 0.10,
|
| 27 |
+
"SPFC980": 0.08,
|
| 28 |
+
}
|
| 29 |
+
|
| 30 |
+
def filter_model_outputs(
|
| 31 |
+
candidates: pd.DataFrame,
|
| 32 |
+
thinning_limits: dict = THIN_LIMITS,
|
| 33 |
+
max_failure_threshold: float = 0.97, # ✅ 수정: 0.97 이하만 통과
|
| 34 |
+
r_min: float = R_MIN
|
| 35 |
+
) -> pd.DataFrame:
|
| 36 |
+
"""
|
| 37 |
+
candidates DataFrame 필수 컬럼:
|
| 38 |
+
['material','thickness','diameter','degree','upper_r','lower_r',
|
| 39 |
+
'pred_max_failure','pred_thining']
|
| 40 |
+
|
| 41 |
+
반환: 입력 + ['allowed_R','allowed_model','final_ok','reject_reason']
|
| 42 |
+
"""
|
| 43 |
+
|
| 44 |
+
df = candidates.copy()
|
| 45 |
+
|
| 46 |
+
allowed_R = []
|
| 47 |
+
reject_reason = []
|
| 48 |
+
|
| 49 |
+
for _, row in df.iterrows():
|
| 50 |
+
dia, deg, up, lo = int(row["diameter"]), int(row["degree"]), row["upper_r"], row["lower_r"]
|
| 51 |
+
|
| 52 |
+
# 1) 직경/각도 허용 여부
|
| 53 |
+
if dia not in CONSTRAINTS or deg not in CONSTRAINTS[dia]:
|
| 54 |
+
allowed_R.append(False)
|
| 55 |
+
reject_reason.append("disallowed_diameter_or_degree")
|
| 56 |
+
continue
|
| 57 |
+
|
| 58 |
+
up_max, lo_max = CONSTRAINTS[dia][deg]
|
| 59 |
+
|
| 60 |
+
# 2) R 범위 확인
|
| 61 |
+
if up < r_min or lo < r_min:
|
| 62 |
+
allowed_R.append(False)
|
| 63 |
+
reject_reason.append("R_below_min")
|
| 64 |
+
continue
|
| 65 |
+
if up > up_max:
|
| 66 |
+
allowed_R.append(False)
|
| 67 |
+
reject_reason.append("upper_r_above_max")
|
| 68 |
+
continue
|
| 69 |
+
if lo > lo_max:
|
| 70 |
+
allowed_R.append(False)
|
| 71 |
+
reject_reason.append("lower_r_above_max")
|
| 72 |
+
continue
|
| 73 |
+
|
| 74 |
+
# 통과
|
| 75 |
+
allowed_R.append(True)
|
| 76 |
+
reject_reason.append("")
|
| 77 |
+
|
| 78 |
+
df["allowed_R"] = allowed_R
|
| 79 |
+
df["reject_reason"] = reject_reason
|
| 80 |
+
|
| 81 |
+
# 3) 모델 조건
|
| 82 |
+
thin_limit = df["material"].map(thinning_limits)
|
| 83 |
+
cond_model = (
|
| 84 |
+
(df["pred_max_failure"] <= max_failure_threshold) & # ✅ 수정: <= 0.97
|
| 85 |
+
thin_limit.notna() &
|
| 86 |
+
(df["pred_thining"] <= thin_limit)
|
| 87 |
+
)
|
| 88 |
+
df["allowed_model"] = cond_model
|
| 89 |
+
|
| 90 |
+
# 최종
|
| 91 |
+
df["final_ok"] = df["allowed_R"] & df["allowed_model"]
|
| 92 |
+
|
| 93 |
+
return df
|
study_model.py
ADDED
|
@@ -0,0 +1,419 @@
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|
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|
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|
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|
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|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# train_blend_ftt_lgbm.py
|
| 2 |
+
# FT-Transformer (weighted MAE + 5-Fold OOF) + LightGBM (5-Fold OOF) + OOF blending
|
| 3 |
+
# pip install pandas numpy scikit-learn torch lightgbm openpyxl
|
| 4 |
+
|
| 5 |
+
import os, math, json, random, pathlib
|
| 6 |
+
import numpy as np
|
| 7 |
+
import pandas as pd
|
| 8 |
+
from typing import List, Tuple
|
| 9 |
+
from sklearn.model_selection import KFold
|
| 10 |
+
from sklearn.preprocessing import StandardScaler
|
| 11 |
+
from sklearn.metrics import mean_absolute_error
|
| 12 |
+
import lightgbm as lgb
|
| 13 |
+
import torch
|
| 14 |
+
import torch.nn as nn
|
| 15 |
+
from torch.utils.data import Dataset, DataLoader
|
| 16 |
+
|
| 17 |
+
# =========================
|
| 18 |
+
# Config
|
| 19 |
+
# =========================
|
| 20 |
+
SEED = 42
|
| 21 |
+
DATA_PATH = r"C:\Users\KDT10\OneDrive\바탕 화면\AutoForm\데이터통합.xlsx" # .xlsx 또는 .csv
|
| 22 |
+
TARGET = "max_failure"
|
| 23 |
+
CAT_COL = "material" # 범주형
|
| 24 |
+
NUM_COLS = ["thickness","diameter","degree","upper_radius","lower_radius","LB","RB"] # 필요 시 물성/파생변수 추가
|
| 25 |
+
N_SPLITS = 5
|
| 26 |
+
|
| 27 |
+
# FT-Transformer 하이퍼파라미터 (튜닝안)
|
| 28 |
+
D_MODEL = 256
|
| 29 |
+
NHEAD = 8
|
| 30 |
+
LAYERS = 6
|
| 31 |
+
DIM_FF = 1024
|
| 32 |
+
DROPOUT = 0.25
|
| 33 |
+
EPOCHS = 500
|
| 34 |
+
PATIENCE = 50
|
| 35 |
+
LR = 5e-4
|
| 36 |
+
WEIGHT_DECAY = 2e-4
|
| 37 |
+
BATCH_TRAIN = 256
|
| 38 |
+
BATCH_VAL = 512
|
| 39 |
+
|
| 40 |
+
# LightGBM 하이퍼파라미터
|
| 41 |
+
LGB_PARAMS = {
|
| 42 |
+
"objective": "mae",
|
| 43 |
+
"metric": "mae",
|
| 44 |
+
"learning_rate": 0.05,
|
| 45 |
+
"num_leaves": 31,
|
| 46 |
+
"feature_fraction": 0.9,
|
| 47 |
+
"bagging_fraction": 0.9,
|
| 48 |
+
"bagging_freq": 1,
|
| 49 |
+
"min_data_in_leaf": 20,
|
| 50 |
+
"verbosity": -1,
|
| 51 |
+
"seed": SEED,
|
| 52 |
+
}
|
| 53 |
+
NUM_BOOST_ROUND = 8000
|
| 54 |
+
EARLY_STOP = 400
|
| 55 |
+
|
| 56 |
+
ART_DIR = "artifacts_blend"
|
| 57 |
+
os.makedirs(ART_DIR, exist_ok=True)
|
| 58 |
+
|
| 59 |
+
# =========================
|
| 60 |
+
# Utils
|
| 61 |
+
# =========================
|
| 62 |
+
def get_safe_device():
|
| 63 |
+
"""CUDA가 실제 사용 가능한지 미리 검증하고, 실패 시 CPU로 폴백."""
|
| 64 |
+
if torch.cuda.is_available():
|
| 65 |
+
try:
|
| 66 |
+
_ = torch.zeros(1, device="cuda")
|
| 67 |
+
torch.cuda.synchronize()
|
| 68 |
+
print("[INFO] Using CUDA")
|
| 69 |
+
return torch.device("cuda")
|
| 70 |
+
except Exception as e:
|
| 71 |
+
print(f"[WARN] CUDA available but failed to initialize: {e}")
|
| 72 |
+
print("[INFO] Using CPU")
|
| 73 |
+
return torch.device("cpu")
|
| 74 |
+
|
| 75 |
+
def set_seed(seed: int, device: torch.device):
|
| 76 |
+
random.seed(seed)
|
| 77 |
+
np.random.seed(seed)
|
| 78 |
+
torch.manual_seed(seed)
|
| 79 |
+
if device.type == "cuda":
|
| 80 |
+
try:
|
| 81 |
+
torch.cuda.manual_seed_all(seed)
|
| 82 |
+
except Exception as e:
|
| 83 |
+
print(f"[WARN] torch.cuda.manual_seed_all failed: {e}")
|
| 84 |
+
|
| 85 |
+
def read_table(path: str) -> pd.DataFrame:
|
| 86 |
+
p = pathlib.Path(path)
|
| 87 |
+
if p.suffix.lower() in (".xlsx", ".xls"):
|
| 88 |
+
return pd.read_excel(p) # openpyxl 필요
|
| 89 |
+
return pd.read_csv(p)
|
| 90 |
+
|
| 91 |
+
def ensure_categorical(df: pd.DataFrame, col: str) -> pd.DataFrame:
|
| 92 |
+
df = df.copy()
|
| 93 |
+
df[col] = df[col].astype(str).astype("category")
|
| 94 |
+
return df
|
| 95 |
+
|
| 96 |
+
def tukey_biweight_weights_by_group(df, target=TARGET, group=CAT_COL, c=4.685, eps=1e-9):
|
| 97 |
+
"""재질별 median/IQR 기준 Tukey biweight 가중치(0~1)"""
|
| 98 |
+
df = df.copy()
|
| 99 |
+
w = np.ones(len(df), dtype=np.float32)
|
| 100 |
+
for g, idx in df.groupby(group).groups.items():
|
| 101 |
+
y = df.loc[idx, target].astype(float)
|
| 102 |
+
med = np.median(y)
|
| 103 |
+
q1, q3 = np.percentile(y, 25), np.percentile(y, 75)
|
| 104 |
+
iqr = max(q3 - q1, eps)
|
| 105 |
+
u = (y - med) / (c * iqr)
|
| 106 |
+
w_g = np.where(np.abs(u) < 1, (1 - u**2)**2, 0.0)
|
| 107 |
+
w[idx] = w_g.astype(np.float32)
|
| 108 |
+
return np.clip(w, 0.05, 1.0).astype(np.float32)
|
| 109 |
+
|
| 110 |
+
def search_best_alpha(oof_a: np.ndarray, oof_b: np.ndarray, y_true: np.ndarray):
|
| 111 |
+
alphas = np.linspace(0.0, 1.0, 1001) # 0.0001 간격 정밀 탐색
|
| 112 |
+
best_a, best_mae = None, 1e9
|
| 113 |
+
for a in alphas:
|
| 114 |
+
blend = a*oof_a + (1-a)*oof_b
|
| 115 |
+
mae = mean_absolute_error(y_true, blend)
|
| 116 |
+
if mae < best_mae:
|
| 117 |
+
best_a, best_mae = a, mae
|
| 118 |
+
return best_a, best_mae
|
| 119 |
+
|
| 120 |
+
# =========================
|
| 121 |
+
# Dataset / Model
|
| 122 |
+
# =========================
|
| 123 |
+
class TabDataset(Dataset):
|
| 124 |
+
def __init__(self, mat_ids, num_feats, target=None, weights=None):
|
| 125 |
+
self.mat_ids = torch.tensor(mat_ids, dtype=torch.long)
|
| 126 |
+
self.num_feats = torch.tensor(num_feats, dtype=torch.float32)
|
| 127 |
+
self.target = None if target is None else torch.tensor(target, dtype=torch.float32).view(-1,1)
|
| 128 |
+
self.weights = None if weights is None else torch.tensor(weights, dtype=torch.float32).view(-1,1)
|
| 129 |
+
def __len__(self): return len(self.mat_ids)
|
| 130 |
+
def __getitem__(self, i):
|
| 131 |
+
if self.target is None:
|
| 132 |
+
return self.mat_ids[i], self.num_feats[i]
|
| 133 |
+
if self.weights is None:
|
| 134 |
+
return self.mat_ids[i], self.num_feats[i], self.target[i]
|
| 135 |
+
return self.mat_ids[i], self.num_feats[i], self.target[i], self.weights[i]
|
| 136 |
+
|
| 137 |
+
class FTTransformer(nn.Module):
|
| 138 |
+
def __init__(self, n_materials:int, n_num:int, d_model:int=128, nhead:int=8,
|
| 139 |
+
num_layers:int=4, dim_ff:int=256, dropout:float=0.2):
|
| 140 |
+
super().__init__()
|
| 141 |
+
self.mat_emb = nn.Embedding(n_materials, d_model)
|
| 142 |
+
self.num_linears = nn.ModuleList([nn.Linear(1, d_model) for _ in range(n_num)])
|
| 143 |
+
self.cls = nn.Parameter(torch.zeros(1, 1, d_model))
|
| 144 |
+
nn.init.trunc_normal_(self.cls, std=0.02)
|
| 145 |
+
enc_layer = nn.TransformerEncoderLayer(
|
| 146 |
+
d_model=d_model, nhead=nhead,
|
| 147 |
+
dim_feedforward=dim_ff, dropout=dropout,
|
| 148 |
+
batch_first=True, activation='gelu', norm_first=True
|
| 149 |
+
)
|
| 150 |
+
self.encoder = nn.TransformerEncoder(enc_layer, num_layers=num_layers)
|
| 151 |
+
self.head = nn.Sequential(
|
| 152 |
+
nn.LayerNorm(d_model),
|
| 153 |
+
nn.Linear(d_model, d_model),
|
| 154 |
+
nn.GELU(),
|
| 155 |
+
nn.Dropout(dropout),
|
| 156 |
+
nn.Linear(d_model, 1)
|
| 157 |
+
)
|
| 158 |
+
def forward(self, mat_ids: torch.LongTensor, x_num: torch.FloatTensor):
|
| 159 |
+
B = x_num.size(0)
|
| 160 |
+
mat_tok = self.mat_emb(mat_ids).unsqueeze(1) # (B,1,d)
|
| 161 |
+
num_tok = torch.cat([lin(x_num[:, i:i+1]).unsqueeze(1) for i,lin in enumerate(self.num_linears)], dim=1)
|
| 162 |
+
tokens = torch.cat([self.cls.expand(B, -1, -1), mat_tok, num_tok], dim=1)
|
| 163 |
+
h = self.encoder(tokens)
|
| 164 |
+
return self.head(h[:, 0, :]) # (B,1)
|
| 165 |
+
|
| 166 |
+
def weighted_l1_loss(pred, y, w):
|
| 167 |
+
return (w * (pred - y).abs()).sum() / (w.sum() + 1e-9)
|
| 168 |
+
|
| 169 |
+
def val_mae(model, loader, device):
|
| 170 |
+
model.eval()
|
| 171 |
+
mae, n = 0.0, 0
|
| 172 |
+
with torch.no_grad():
|
| 173 |
+
for batch in loader:
|
| 174 |
+
if len(batch) == 4:
|
| 175 |
+
m,x,y,_ = batch
|
| 176 |
+
else:
|
| 177 |
+
m,x,y = batch
|
| 178 |
+
m,x,y = m.to(device), x.to(device), y.to(device)
|
| 179 |
+
p = model(m,x)
|
| 180 |
+
mae += (p - y).abs().sum().item()
|
| 181 |
+
n += y.size(0)
|
| 182 |
+
return mae / n
|
| 183 |
+
|
| 184 |
+
# =========================
|
| 185 |
+
# Main
|
| 186 |
+
# =========================
|
| 187 |
+
def main():
|
| 188 |
+
# 안전 디바이스 결정 → 그 디바이스 기준으로 시드 설정
|
| 189 |
+
device = get_safe_device()
|
| 190 |
+
set_seed(SEED, device)
|
| 191 |
+
|
| 192 |
+
# ----- Load -----
|
| 193 |
+
df = read_table(DATA_PATH).copy()
|
| 194 |
+
need = [CAT_COL] + NUM_COLS + [TARGET]
|
| 195 |
+
missing = [c for c in need if c not in df.columns]
|
| 196 |
+
if missing: raise RuntimeError(f"입력 데이터에 없는 컬럼: {missing}")
|
| 197 |
+
df = df.dropna(subset=[TARGET]).reset_index(drop=True)
|
| 198 |
+
df = ensure_categorical(df, CAT_COL)
|
| 199 |
+
|
| 200 |
+
# 샘플 가중치(없으면 로버스트 가중치 생성)
|
| 201 |
+
if "sample_weight" in df.columns:
|
| 202 |
+
df["sample_weight"] = df["sample_weight"].astype(np.float32)
|
| 203 |
+
else:
|
| 204 |
+
df["sample_weight"] = tukey_biweight_weights_by_group(df, target=TARGET, group=CAT_COL, c=4.685)
|
| 205 |
+
|
| 206 |
+
# material → id
|
| 207 |
+
materials = sorted(df[CAT_COL].astype(str).unique())
|
| 208 |
+
mat2id = {m:i for i,m in enumerate(materials)}
|
| 209 |
+
df["_mat_id"] = df[CAT_COL].astype(str).map(mat2id).astype(int)
|
| 210 |
+
|
| 211 |
+
# 공통 어레이
|
| 212 |
+
X_num_full = df[NUM_COLS].values.astype(np.float32)
|
| 213 |
+
y_full = df[TARGET].values.astype(np.float32)
|
| 214 |
+
m_full = df["_mat_id"].values
|
| 215 |
+
w_full = df["sample_weight"].values.astype(np.float32)
|
| 216 |
+
|
| 217 |
+
# =========================
|
| 218 |
+
# 1) FT-Transformer 5-Fold OOF
|
| 219 |
+
# =========================
|
| 220 |
+
kf = KFold(n_splits=N_SPLITS, shuffle=True, random_state=SEED)
|
| 221 |
+
oof_dl = np.zeros(len(df), dtype=np.float32)
|
| 222 |
+
dl_models, dl_scalers = [], []
|
| 223 |
+
fold_summ_dl = []
|
| 224 |
+
|
| 225 |
+
for fold, (tr_idx, va_idx) in enumerate(kf.split(X_num_full), 1):
|
| 226 |
+
print(f"\n========== [DL] FOLD {fold}/{N_SPLITS} ==========")
|
| 227 |
+
# 스케일러 누수 방지
|
| 228 |
+
scaler = StandardScaler()
|
| 229 |
+
X_tr = scaler.fit_transform(X_num_full[tr_idx]).astype(np.float32)
|
| 230 |
+
X_va = scaler.transform(X_num_full[va_idx]).astype(np.float32)
|
| 231 |
+
y_tr, y_va = y_full[tr_idx], y_full[va_idx]
|
| 232 |
+
m_tr, m_va = m_full[tr_idx], m_full[va_idx]
|
| 233 |
+
w_tr, w_va = w_full[tr_idx], w_full[va_idx]
|
| 234 |
+
|
| 235 |
+
train_ds = TabDataset(m_tr, X_tr, y_tr, w_tr)
|
| 236 |
+
val_ds = TabDataset(m_va, X_va, y_va, w_va)
|
| 237 |
+
train_dl = DataLoader(train_ds, batch_size=BATCH_TRAIN, shuffle=True, num_workers=0)
|
| 238 |
+
val_dl = DataLoader(val_ds, batch_size=BATCH_VAL, shuffle=False, num_workers=0)
|
| 239 |
+
|
| 240 |
+
model = FTTransformer(
|
| 241 |
+
n_materials=len(materials), n_num=len(NUM_COLS),
|
| 242 |
+
d_model=D_MODEL, nhead=NHEAD, num_layers=LAYERS, dim_ff=DIM_FF, dropout=DROPOUT
|
| 243 |
+
)
|
| 244 |
+
# 디바이스 이동에 실패하면 CPU 폴백
|
| 245 |
+
try:
|
| 246 |
+
model = model.to(device)
|
| 247 |
+
except Exception as e:
|
| 248 |
+
print(f"[WARN] model.to({device}) failed: {e}. Falling back to CPU.")
|
| 249 |
+
device = torch.device("cpu")
|
| 250 |
+
model = model.to(device)
|
| 251 |
+
|
| 252 |
+
optim = torch.optim.AdamW(model.parameters(), lr=LR, weight_decay=WEIGHT_DECAY)
|
| 253 |
+
sched = torch.optim.lr_scheduler.CosineAnnealingWarmRestarts(optim, T_0=10)
|
| 254 |
+
|
| 255 |
+
best_mae, best_state, wait = 1e9, None, 0
|
| 256 |
+
for epoch in range(1, EPOCHS+1):
|
| 257 |
+
model.train()
|
| 258 |
+
for m,x,y,w in train_dl:
|
| 259 |
+
m,x,y,w = m.to(device), x.to(device), y.to(device), w.to(device)
|
| 260 |
+
optim.zero_grad(set_to_none=True)
|
| 261 |
+
pred = model(m,x)
|
| 262 |
+
loss = weighted_l1_loss(pred, y, w)
|
| 263 |
+
loss.backward()
|
| 264 |
+
torch.nn.utils.clip_grad_norm_(model.parameters(), 2.0)
|
| 265 |
+
optim.step()
|
| 266 |
+
sched.step(epoch)
|
| 267 |
+
|
| 268 |
+
mae = val_mae(model, val_dl, device)
|
| 269 |
+
print(f"[DL {epoch:03d}] VAL MAE={mae:.4f}")
|
| 270 |
+
if mae < best_mae - 1e-4:
|
| 271 |
+
best_mae, wait = mae, 0
|
| 272 |
+
best_state = {k:v.cpu().clone() for k,v in model.state_dict().items()}
|
| 273 |
+
else:
|
| 274 |
+
wait += 1
|
| 275 |
+
if wait >= PATIENCE:
|
| 276 |
+
print("Early stopping.")
|
| 277 |
+
break
|
| 278 |
+
|
| 279 |
+
# 복원 + fold 저장
|
| 280 |
+
if best_state is not None:
|
| 281 |
+
model.load_state_dict(best_state)
|
| 282 |
+
torch.save({
|
| 283 |
+
"state_dict": model.state_dict(),
|
| 284 |
+
"materials": materials,
|
| 285 |
+
"num_cols": NUM_COLS,
|
| 286 |
+
"scaler_mean": scaler.mean_, "scaler_scale": scaler.scale_,
|
| 287 |
+
}, os.path.join(ART_DIR, f"ftt_fold{fold}.pt"))
|
| 288 |
+
fold_summ_dl.append(best_mae)
|
| 289 |
+
print(f"[DL FOLD {fold}] best VAL MAE={best_mae:.4f}")
|
| 290 |
+
|
| 291 |
+
# ── OOF 채우기 (모델과 텐서를 같은 device에서)
|
| 292 |
+
try:
|
| 293 |
+
model = model.to(device)
|
| 294 |
+
except Exception as e:
|
| 295 |
+
print(f"[WARN] model.to({device}) failed during OOF: {e}. Falling back to CPU.")
|
| 296 |
+
device = torch.device("cpu")
|
| 297 |
+
model = model.to(device)
|
| 298 |
+
|
| 299 |
+
model.eval()
|
| 300 |
+
preds = []
|
| 301 |
+
with torch.no_grad():
|
| 302 |
+
val_loader = DataLoader(val_ds, batch_size=BATCH_VAL, shuffle=False, num_workers=0)
|
| 303 |
+
for batch in val_loader:
|
| 304 |
+
if len(batch)==4:
|
| 305 |
+
m,x,y,_ = batch
|
| 306 |
+
else:
|
| 307 |
+
m,x,y = batch
|
| 308 |
+
m,x = m.to(device), x.to(device)
|
| 309 |
+
p = model(m,x).cpu().numpy().ravel()
|
| 310 |
+
preds.append(p)
|
| 311 |
+
oof_dl[va_idx] = np.concatenate(preds).astype(np.float32)
|
| 312 |
+
|
| 313 |
+
# ── OOF 완료 후 CPU로 내려서 보관
|
| 314 |
+
dl_models.append(model.cpu())
|
| 315 |
+
dl_scalers.append(scaler)
|
| 316 |
+
|
| 317 |
+
oof_mae_dl = mean_absolute_error(y_full, oof_dl)
|
| 318 |
+
print("\n[DL] Fold best MAEs:", [f"{m:.4f}" for m in fold_summ_dl])
|
| 319 |
+
print(f"[DL] OOF MAE : {oof_mae_dl:.4f}")
|
| 320 |
+
pd.DataFrame({"y_true": y_full, "y_oof_dl": oof_dl}).to_csv(os.path.join(ART_DIR, "oof_dl.csv"), index=False)
|
| 321 |
+
|
| 322 |
+
# =========================
|
| 323 |
+
# 2) LightGBM 5-Fold OOF (callbacks로 조기 종료/로그)
|
| 324 |
+
# =========================
|
| 325 |
+
df = ensure_categorical(df, CAT_COL)
|
| 326 |
+
FEATS_GBDT = [CAT_COL] + NUM_COLS
|
| 327 |
+
X_gbdt = df[FEATS_GBDT].copy()
|
| 328 |
+
y = y_full
|
| 329 |
+
w = w_full
|
| 330 |
+
|
| 331 |
+
kf2 = KFold(n_splits=N_SPLITS, shuffle=True, random_state=SEED)
|
| 332 |
+
oof_lgbm = np.zeros(len(df), dtype=np.float32)
|
| 333 |
+
lgbm_models = []
|
| 334 |
+
fold_summ_lgb = []
|
| 335 |
+
|
| 336 |
+
for fold, (tr_idx, va_idx) in enumerate(kf2.split(X_gbdt), 1):
|
| 337 |
+
print(f"\n========== [LGBM] FOLD {fold}/{N_SPLITS} ==========")
|
| 338 |
+
X_tr, X_va = X_gbdt.iloc[tr_idx], X_gbdt.iloc[va_idx]
|
| 339 |
+
y_tr, y_va = y[tr_idx], y[va_idx]
|
| 340 |
+
w_tr, w_va = w[tr_idx], w[va_idx]
|
| 341 |
+
|
| 342 |
+
dtr = lgb.Dataset(X_tr, label=y_tr, weight=w_tr,
|
| 343 |
+
categorical_feature=[CAT_COL], free_raw_data=False)
|
| 344 |
+
dva = lgb.Dataset(X_va, label=y_va, weight=w_va,
|
| 345 |
+
categorical_feature=[CAT_COL], reference=dtr, free_raw_data=False)
|
| 346 |
+
|
| 347 |
+
callbacks = [
|
| 348 |
+
lgb.early_stopping(EARLY_STOP, verbose=False),
|
| 349 |
+
lgb.log_evaluation(100),
|
| 350 |
+
]
|
| 351 |
+
|
| 352 |
+
model = lgb.train(
|
| 353 |
+
LGB_PARAMS,
|
| 354 |
+
dtr,
|
| 355 |
+
num_boost_round=NUM_BOOST_ROUND,
|
| 356 |
+
valid_sets=[dtr, dva],
|
| 357 |
+
valid_names=["train","valid"],
|
| 358 |
+
callbacks=callbacks,
|
| 359 |
+
)
|
| 360 |
+
|
| 361 |
+
pred_va = model.predict(X_va, num_iteration=model.best_iteration)
|
| 362 |
+
oof_lgbm[va_idx] = pred_va.astype(np.float32)
|
| 363 |
+
mae = mean_absolute_error(y_va, pred_va)
|
| 364 |
+
fold_summ_lgb.append(mae)
|
| 365 |
+
print(f"[LGBM FOLD {fold}] VAL MAE={mae:.4f}")
|
| 366 |
+
model.save_model(os.path.join(ART_DIR, f"lgbm_fold{fold}.txt"),
|
| 367 |
+
num_iteration=model.best_iteration)
|
| 368 |
+
lgbm_models.append(model)
|
| 369 |
+
|
| 370 |
+
oof_mae_lgb = mean_absolute_error(y, oof_lgbm)
|
| 371 |
+
print("\n[LGBM] Fold MAEs:", [f"{m:.4f}" for m in fold_summ_lgb])
|
| 372 |
+
print(f"[LGBM] OOF MAE : {oof_mae_lgb:.4f}")
|
| 373 |
+
pd.DataFrame({"y_true": y, "y_oof_lgbm": oof_lgbm}).to_csv(os.path.join(ART_DIR, "oof_lgbm.csv"), index=False)
|
| 374 |
+
|
| 375 |
+
# =========================
|
| 376 |
+
# 3) OOF Blending (DL + LGBM)
|
| 377 |
+
# =========================
|
| 378 |
+
best_alpha, best_mae = search_best_alpha(oof_dl, oof_lgbm, y_full)
|
| 379 |
+
print(f"\n[BLEND] best α={best_alpha:.3f}, blended OOF MAE={best_mae:.4f}")
|
| 380 |
+
with open(os.path.join(ART_DIR, "blend_alpha.json"), "w") as f:
|
| 381 |
+
json.dump({"best_alpha": float(best_alpha), "oof_mae_blend": float(best_mae),
|
| 382 |
+
"oof_mae_dl": float(oof_mae_dl), "oof_mae_lgbm": float(oof_mae_lgb)}, f, indent=2)
|
| 383 |
+
|
| 384 |
+
# =========================
|
| 385 |
+
# 4) Inference helper (예시)
|
| 386 |
+
# =========================
|
| 387 |
+
def predict_dl_ensemble(df_new: pd.DataFrame) -> np.ndarray:
|
| 388 |
+
df_new = df_new.copy()
|
| 389 |
+
df_new["_mat_id"] = df_new[CAT_COL].astype(str).map(mat2id).fillna(0).astype(int)
|
| 390 |
+
Xn = df_new[NUM_COLS].values.astype(np.float32)
|
| 391 |
+
|
| 392 |
+
preds = []
|
| 393 |
+
for mdl, sc in zip(dl_models, dl_scalers):
|
| 394 |
+
x = sc.transform(Xn).astype(np.float32)
|
| 395 |
+
mdl.eval()
|
| 396 |
+
with torch.no_grad():
|
| 397 |
+
m_ids = torch.tensor(df_new["_mat_id"].values, dtype=torch.long)
|
| 398 |
+
x_t = torch.tensor(x, dtype=torch.float32)
|
| 399 |
+
p = mdl(m_ids, x_t).cpu().numpy().ravel()
|
| 400 |
+
preds.append(p)
|
| 401 |
+
return np.mean(preds, axis=0)
|
| 402 |
+
|
| 403 |
+
def predict_lgbm_ensemble(df_new: pd.DataFrame) -> np.ndarray:
|
| 404 |
+
Xn = df_new[[CAT_COL] + NUM_COLS].copy()
|
| 405 |
+
Xn[CAT_COL] = Xn[CAT_COL].astype(str).astype("category")
|
| 406 |
+
preds = [mdl.predict(Xn, num_iteration=mdl.best_iteration) for mdl in lgbm_models]
|
| 407 |
+
return np.mean(preds, axis=0)
|
| 408 |
+
|
| 409 |
+
with open(os.path.join(ART_DIR, "materials.json"), "w", encoding="utf-8") as f:
|
| 410 |
+
json.dump({"materials": materials}, f, ensure_ascii=False, indent=2)
|
| 411 |
+
with open(os.path.join(ART_DIR, "columns.json"), "w", encoding="utf-8") as f:
|
| 412 |
+
json.dump({"num_cols": NUM_COLS, "cat_col": CAT_COL, "target": TARGET}, f, ensure_ascii=False, indent=2)
|
| 413 |
+
|
| 414 |
+
print(f"\nArtifacts saved in: {ART_DIR}")
|
| 415 |
+
print("Use predict_dl_ensemble / predict_lgbm_ensemble, and blend with best_alpha for new data.")
|
| 416 |
+
|
| 417 |
+
if __name__ == "__main__":
|
| 418 |
+
device = get_safe_device()
|
| 419 |
+
main()
|