src/streamlit_app.py

import os
import json
import time
from datetime import datetime
import numpy as np
import pandas as pd
import streamlit as st
import matplotlib.pyplot as plt
import seaborn as sns
import joblib

# ML imports
from sklearn.model_selection import train_test_split
from sklearn.linear_model import LinearRegression
from sklearn.ensemble import RandomForestRegressor, GradientBoostingRegressor, ExtraTreesRegressor
from sklearn.preprocessing import StandardScaler, PolynomialFeatures
from sklearn.decomposition import PCA
from sklearn.cluster import KMeans
from sklearn.metrics import mean_squared_error, r2_score

# SHAP
import shap

# -------------------------
# Config & paths
# -------------------------
st.set_page_config(page_title="AI Feature Universe Explorer — Advanced + SHAP", layout="wide")
DATA_DIR = os.getenv("DATA_DIR", "./data")
os.makedirs(DATA_DIR, exist_ok=True)
CSV_PATH = os.path.join(DATA_DIR, "flatfile_universe_advanced.csv")
META_PATH = os.path.join(DATA_DIR, "feature_metadata_advanced.json")
PDF_PATH = os.path.join(DATA_DIR, "annotated_bibliography.pdf")
ENSEMBLE_ARTIFACT = os.path.join(DATA_DIR, "ensemble_models.joblib")

# -------------------------
# Utility: generate advanced dataset if missing
# -------------------------
def generate_advanced_flatfile(
    n_rows=3000,
    random_seed=42,
    max_polynomial_new=60,
    global_variance_multiplier=1.0,
    variance_overrides=None,
):
    """
    Generates a large synthetic, physics-aligned dataset with many engineered features.
    Allows control of variability per feature (through variance_overrides) or globally
    (via global_variance_multiplier).

    Args:
        n_rows: number of samples
        random_seed: RNG seed
        max_polynomial_new: limit on number of polynomial expansion features
        global_variance_multiplier: multiplier applied to all default stddevs
        variance_overrides: dict mapping feature name or substring → stddev multiplier
    """
    np.random.seed(random_seed)
    os.makedirs(DATA_DIR, exist_ok=True)
    if variance_overrides is None:
        variance_overrides = {}

    # --- base natural features across 8 use cases (expanded)
    natural_feats = [
        "vibration_x","vibration_y","motor_current","rpm","bearing_temp","ambient_temp","lube_pressure","power_factor",
        "furnace_temp","tap_temp","slag_temp","offgas_co","offgas_co2","o2_probe_pct","c_feed_rate","arc_power","furnace_pressure","feed_time",
        "mold_temp","casting_speed","nozzle_pressure","cooling_water_temp","billet_length","chemical_C","chemical_Mn","chemical_Si","chemical_S",
        "roll_speed","motor_load","coolant_flow","exit_temp","strip_thickness","line_tension","roller_vibration",
        "lighting_intensity","surface_temp","image_entropy_proxy",
        "spectro_Fe","spectro_C","spectro_Mn","spectro_Si","time_since_last_sample",
        "batch_id_numeric","weight_input","weight_output","time_in_queue","conveyor_speed",
        "shell_temp","lining_thickness","water_flow","cooling_out_temp","heat_flux"
    ]
    natural_feats = list(dict.fromkeys(natural_feats))  # dedupe

    # helper: compute adjusted stddev
    def effective_sd(feature_name, base_sd):
        # exact name override
        if feature_name in variance_overrides:
            return float(variance_overrides[feature_name])
        # substring override
        for key, val in variance_overrides.items():
            if key in feature_name:
                return float(val)
        # fallback: scaled base
        return float(base_sd) * float(global_variance_multiplier)

    # helper sampling heuristics
    def sample_col(name, n):
        name_l = name.lower()
        if "furnace_temp" in name_l or name_l.endswith("_temp") or "tap_temp" in name_l:
            sd = effective_sd("furnace_temp", 50)
            return np.random.normal(1550, sd, n)
        if name_l in ("tap_temp","mold_temp","shell_temp","cooling_out_temp","exit_temp"):
            sd = effective_sd(name_l, 30)
            return np.random.normal(200 if "mold" not in name_l else 1500, sd, n)
        if "offgas_co2" in name_l:
            sd = effective_sd("offgas_co2", 4)
            return np.abs(np.random.normal(15, sd, n))
        if "offgas_co" in name_l:
            sd = effective_sd("offgas_co", 5)
            return np.abs(np.random.normal(20, sd, n))
        if "o2" in name_l:
            sd = effective_sd("o2_probe_pct", 1)
            return np.clip(np.random.normal(5, sd, n), 0.01, 60)
        if "arc_power" in name_l or "motor_load" in name_l:
            sd = effective_sd("arc_power", 120)
            return np.abs(np.random.normal(600, sd, n))
        if "rpm" in name_l:
            sd = effective_sd("rpm", 30)
            return np.abs(np.random.normal(120, sd, n))
        if "vibration" in name_l:
            sd = effective_sd("vibration", 0.15)
            return np.abs(np.random.normal(0.4, sd, n))
        if "bearing_temp" in name_l:
            sd = effective_sd("bearing_temp", 5)
            return np.random.normal(65, sd, n)
        if "chemical" in name_l or "spectro" in name_l:
            sd = effective_sd("chemical", 0.15)
            return np.random.normal(0.7, sd, n)
        if "weight" in name_l:
            sd = effective_sd("weight", 100)
            return np.random.normal(1000, sd, n)
        if "conveyor_speed" in name_l or "casting_speed" in name_l:
            sd = effective_sd("casting_speed", 0.6)
            return np.random.normal(2.5, sd, n)
        if "power_factor" in name_l:
            sd = effective_sd("power_factor", 0.03)
            return np.clip(np.random.normal(0.92, sd, n), 0.6, 1.0)
        if "image_entropy_proxy" in name_l:
            sd = effective_sd("image_entropy_proxy", 0.25)
            return np.abs(np.random.normal(0.5, sd, n))
        if "batch_id" in name_l:
            return np.random.randint(1000,9999,n)
        if "time_since" in name_l or "time_in_queue" in name_l:
            sd = effective_sd("time_since", 20)
            return np.abs(np.random.normal(30, sd, n))
        if "heat_flux" in name_l:
            sd = effective_sd("heat_flux", 300)
            return np.abs(np.random.normal(1000, sd, n))
        return np.random.normal(0, effective_sd(name_l, 1), n)

    # build DataFrame
    df = pd.DataFrame({c: sample_col(c, n_rows) for c in natural_feats})

    # timestamps & metadata
    start = pd.Timestamp("2025-01-01T00:00:00")
    df["timestamp"] = pd.date_range(start, periods=n_rows, freq="T")
    df["cycle_minute"] = np.mod(np.arange(n_rows), 80)
    df["meta_plant_name"] = np.random.choice(["Rourkela","Jamshedpur","VSP","Bokaro","Kalinganagar","Salem"], n_rows)
    df["meta_country"] = "India"

    # --- synthetic features: physics informed proxies
    df["carbon_proxy"] = df["offgas_co"] / (df["offgas_co2"] + 1.0)
    df["oxygen_utilization"] = df["offgas_co2"] / (df["offgas_co"] + 1.0)
    df["power_density"] = df["arc_power"] / (df["weight_input"] + 1.0)
    df["energy_efficiency"] = df["furnace_temp"] / (df["arc_power"] + 1.0)
    df["slag_foaming_index"] = (df["slag_temp"] * df["offgas_co"]) / (df["o2_probe_pct"] + 1.0)
    df["yield_ratio"] = df["weight_output"] / (df["weight_input"] + 1e-9)

    # rolling stats, lags, rocs for a prioritized set
    rolling_cols = ["arc_power","furnace_temp","offgas_co","offgas_co2","motor_current","vibration_x","weight_input"]
    for rc in rolling_cols:
        if rc in df.columns:
            df[f"{rc}_roll_mean_3"] = df[rc].rolling(3, min_periods=1).mean()
            df[f"{rc}_roll_std_5"] = df[rc].rolling(5, min_periods=1).std().fillna(0)
            df[f"{rc}_lag1"] = df[rc].shift(1).fillna(method="bfill")
            df[f"{rc}_roc_1"] = df[rc].diff().fillna(0)

    # interaction & polynomial-lite
    df["arc_o2_interaction"] = df["arc_power"] * df["o2_probe_pct"]
    df["carbon_power_ratio"] = df["carbon_proxy"] / (df["arc_power"] + 1e-6)
    df["temp_power_sqrt"] = df["furnace_temp"] * np.sqrt(np.abs(df["arc_power"]) + 1e-6)

    # polynomial features limited to first 12 numeric columns
    numeric = df.select_dtypes(include=[np.number]).fillna(0)
    poly_source_cols = numeric.columns[:12].tolist()
    poly = PolynomialFeatures(degree=2, interaction_only=False, include_bias=False)
    poly_mat = poly.fit_transform(numeric[poly_source_cols])
    poly_names = poly.get_feature_names_out(poly_source_cols)
    poly_df = pd.DataFrame(poly_mat, columns=[f"poly__{n}" for n in poly_names], index=df.index)
    keep_poly = [c for c in poly_df.columns if c.replace("poly__","") not in poly_source_cols]
    poly_df = poly_df[keep_poly].iloc[:, :max_polynomial_new] if len(keep_poly) > 0 else poly_df.iloc[:, :0]
    df = pd.concat([df, poly_df], axis=1)

    # PCA embeddings across numeric sensors
    scaler = StandardScaler()
    scaled = scaler.fit_transform(numeric)
    pca = PCA(n_components=6, random_state=42)
    pca_cols = pca.fit_transform(scaled)
    for i in range(pca_cols.shape[1]):
        df[f"pca_{i+1}"] = pca_cols[:, i]

    # KMeans cluster label for operating mode
    kmeans = KMeans(n_clusters=6, random_state=42, n_init=10)
    df["operating_mode"] = kmeans.fit_predict(scaled)

    # surrogate models
    surrogate_df = df.copy()
    surrogate_df["furnace_temp_next"] = surrogate_df["furnace_temp"].shift(-1).fillna(method="ffill")
    features_for_surrogate = [c for c in ["furnace_temp","arc_power","o2_probe_pct","offgas_co","offgas_co2"] if c in df.columns]
    if len(features_for_surrogate) >= 2:
        X = surrogate_df[features_for_surrogate].fillna(0)
        y = surrogate_df["furnace_temp_next"]
        rf = RandomForestRegressor(n_estimators=50, random_state=42, n_jobs=-1)
        rf.fit(X, y)
        df["pred_temp_30s"] = rf.predict(X)
    else:
        df["pred_temp_30s"] = df["furnace_temp"]

    if all(c in df.columns for c in ["offgas_co","offgas_co2","o2_probe_pct"]):
        X2 = df[["offgas_co","offgas_co2","o2_probe_pct"]].fillna(0)
        rf2 = RandomForestRegressor(n_estimators=50, random_state=1, n_jobs=-1)
        rf2.fit(X2, df["carbon_proxy"])
        df["pred_carbon_5min"] = rf2.predict(X2)
    else:
        df["pred_carbon_5min"] = df["carbon_proxy"]

    # safety indices & flags
    df["refractory_limit_flag"] = (df["lining_thickness"] < 140).astype(int)
    df["max_allowed_power_delta"] = np.clip(df["arc_power"].diff().abs().fillna(0), 0, 2000)

    # rule-based target
    df["ARC_ON"] = ((df["arc_power"] > df["arc_power"].median()) & (df["carbon_proxy"] < 1.0)).astype(int)
    df["prediction_confidence"] = np.clip(np.random.beta(2,5, n_rows), 0.05, 0.99)

    # clean NaN and infinite
    df.replace([np.inf, -np.inf], np.nan, inplace=True)
    df.fillna(method="bfill", inplace=True)
    df.fillna(0, inplace=True)

    # save CSV & metadata
    df.to_csv(CSV_PATH, index=False)
    meta = []
    for col in df.columns:
        if col in natural_feats:
            source = "natural"
        elif col.startswith("poly__") or col.startswith("pca_") or col in ["operating_mode"]:
            source = "advanced_synthetic"
        else:
            source = "synthetic"
        meta.append({
            "feature_name": col,
            "source_type": source,
            "linked_use_cases": ["All" if source!="natural" else "Mapped"],
            "units": "-",
            "formula": "see generator logic",
            "remarks": "auto-generated or simulated"
        })
    with open(META_PATH, "w") as f:
        json.dump(meta, f, indent=2)

    # annotated bibliography
    try:
        from fpdf import FPDF
        pdf = FPDF('P','mm','A4')
        pdf.add_page()
        pdf.set_font("Helvetica","B",14)
        pdf.cell(0,8,"Annotated Bibliography - Metallurgical AI (Selected Papers)", ln=True)
        pdf.ln(2)
        pdf.set_font("Helvetica","",10)
        pdf.cell(0,6,"Generated: " + datetime.utcnow().strftime("%Y-%m-%d %H:%M UTC"), ln=True)
        pdf.ln(4)
        bib_items = [
            ("A Survey of Data-Driven Soft Sensing in Ironmaking Systems","Yan et al. (2024)","Review of soft-sensors; supports gas proxies, lags, PCA."),
            ("Optimisation of Oxygen Blowing Process using RL","Ojeda Roldan et al. (2022)","RL for oxygen control; motivates surrogate predicted states & safety indices."),
            ("Analyzing the Energy Efficiency of Electric Arc Furnace","Zhuo et al. (2024)","Energy KPIs (kWh/t) motivate power_density & energy_efficiency features."),
            ("BOF/Endpoint prediction techniques","Springer (2024)","Endpoint prediction; supports temporal lags and cycle encoding."),
            ("Dynamic EAF modeling & slag foaming","MacRosty et al.","Physics priors for slag_foaming_index and refractory health modeling.")
        ]
        for title, auth, note in bib_items:
            pdf.set_font("Helvetica","B",11)
            pdf.multi_cell(0,6, f"{title} — {auth}")
            pdf.set_font("Helvetica","",10)
            pdf.multi_cell(0,5, f"Notes: {note}")
            pdf.ln(2)
        pdf.output(PDF_PATH)
    except Exception as e:
        with open(PDF_PATH.replace(".pdf",".txt"), "w") as tf:
            tf.write("Annotated bibliography generated. Install fpdf for PDF output.\n")

    return CSV_PATH, META_PATH, PDF_PATH

# -------------------------
# Ensure dataset exists
# -------------------------
if not os.path.exists(CSV_PATH) or not os.path.exists(META_PATH):
    with st.spinner("Generating synthetic features (this may take ~20-60s)..."):
        CSV_PATH, META_PATH, PDF_PATH = generate_advanced_flatfile(n_rows=3000, random_seed=42, max_polynomial_new=80)
        st.success(f"Generated dataset and metadata: {CSV_PATH}")

# -------------------------
# Load data & metadata (cached)
# -------------------------
@st.cache_data
def load_data(csv_path=CSV_PATH, meta_path=META_PATH):
    df_local = pd.read_csv(csv_path)
    with open(meta_path, "r") as f:
        meta_local = json.load(f)
    return df_local, pd.DataFrame(meta_local)

df, meta_df = load_data()

# -------------------------
# Sidebar filters & UI
# -------------------------
st.sidebar.title("Feature Explorer - Advanced + SHAP")
feat_types = sorted(meta_df["source_type"].unique().tolist())
selected_types = st.sidebar.multiselect("Feature type", feat_types, default=feat_types)
numeric_cols = df.select_dtypes(include=[np.number]).columns.tolist()

# -------------------------
# Main tabs
# -------------------------
st.title("Steel Authority of India Limited (SHAP-enabled)")
tabs = st.tabs([
    "Features",
    "Visualize",
    "Correlations",
    "Stats",
    "Ensemble + SHAP",
    "Target & Business Impact",
    "Bibliography"
])

# ----- Features tab
with tabs[0]:
    st.subheader("Feature metadata")
    filtered_meta = meta_df[meta_df["source_type"].isin(selected_types)]
    st.dataframe(filtered_meta[["feature_name","source_type","formula","remarks"]].rename(columns={"feature_name":"Feature"}), height=400)
    st.markdown(f"Total features loaded: **{df.shape[1]}**  |  Rows: **{df.shape[0]}**")

# ----- Visualize tab
with tabs[1]:
    st.subheader("Feature visualization")
    col = st.selectbox("Choose numeric feature", numeric_cols, index=0)
    bins = st.slider("Histogram bins", 10, 200, 50)
    fig, ax = plt.subplots(figsize=(8,4))
    sns.histplot(df[col], bins=bins, kde=True, ax=ax)
    ax.set_title(col)
    st.pyplot(fig)
    st.write(df[col].describe().to_frame().T)

# ----- Correlations tab
with tabs[2]:
    st.subheader("Correlation explorer")
    default_corr = numeric_cols[:20] if len(numeric_cols) >= 20 else numeric_cols
    corr_sel = st.multiselect("Select features (min 2)", numeric_cols, default=default_corr)
    if len(corr_sel) >= 2:
        corr = df[corr_sel].corr()
        fig, ax = plt.subplots(figsize=(10,8))
        sns.heatmap(corr, cmap="coolwarm", center=0, ax=ax)
        st.pyplot(fig)
    else:
        st.info("Choose at least 2 numeric features to compute correlation.")

# ----- Stats tab
with tabs[3]:
    st.subheader("Summary statistics (numeric features)")
    st.dataframe(df.describe().T.style.format("{:.3f}"), height=500)


# ----- Ensemble + SHAP tab (Expanded AutoML + Stacking + Multi-Family) -----
with tabs[4]:
    st.subheader(" AutoML Ensemble — Expanded Families + Stacking + SHAP")

    # --- Step 0: High-level Use Case (keeps previous defaults) ---
    st.markdown("###  Choose Industrial Use Case ")
    use_case = st.selectbox(
        "Select Use Case",
        [
            "Predictive Maintenance",
            "EAF Data Intelligence",
            "Casting Quality Optimization",
            "Rolling Mill Energy Optimization",
            "Surface Defect Detection (Vision AI)",
            "Material Composition & Alloy Mix AI",
            "Inventory & Yield Optimization",
            "Refractory & Cooling Loss Prediction"
        ],
        index=1
    )

    # Map use-case -> defaults (same as before)
    use_case_config = {
        "Predictive Maintenance": {"target": "bearing_temp", "model_hint": "RandomForest"},
        "EAF Data Intelligence": {"target": "furnace_temp", "model_hint": "GradientBoosting"},
        "Casting Quality Optimization": {"target": "surface_temp" if "surface_temp" in numeric_cols else "furnace_temp", "model_hint": "GradientBoosting"},
        "Rolling Mill Energy Optimization": {"target": "energy_efficiency", "model_hint": "ExtraTrees"},
        "Surface Defect Detection (Vision AI)": {"target": "image_entropy_proxy", "model_hint": "GradientBoosting"},
        "Material Composition & Alloy Mix AI": {"target": "chemical_C", "model_hint": "RandomForest"},
        "Inventory & Yield Optimization": {"target": "yield_ratio", "model_hint": "GradientBoosting"},
        "Refractory & Cooling Loss Prediction": {"target": "lining_thickness", "model_hint": "ExtraTrees"},
    }
    cfg = use_case_config.get(use_case, {"target": numeric_cols[0], "model_hint": "RandomForest"})
    target = cfg["target"]
    model_hint = cfg["model_hint"]

    # --- Feature auto-suggestion (keeps your earlier heuristic) ---
    suggested = [c for c in numeric_cols if any(k in c for k in target.split('_'))]
    if len(suggested) < 6:
        suggested = [c for c in numeric_cols if any(k in c for k in ["temp", "power", "energy", "pressure", "yield"])]
    if len(suggested) < 6:
        suggested = numeric_cols[:50]

    features = st.multiselect("Model input features (auto-suggested)", numeric_cols, default=suggested)
    st.markdown(f"Auto target: `{target}` · Suggested family hint: `{model_hint}`")

    # --- Data sampling controls ---
    max_rows = min(df.shape[0], 20000)
    sample_size = st.slider("Sample rows (train speed vs fidelity)", 500, max_rows, min(1500, max_rows), step=100)

    sub_df = df[features + [target]].sample(n=sample_size, random_state=42).reset_index(drop=True)
    X = sub_df[features].fillna(0)
    y = sub_df[target].fillna(0)

    # --- Ensemble control UI ---
    st.markdown("### Ensemble & AutoML Settings")
    max_trials = st.slider("Optuna trials per family (total trials grow with families)", 5, 80, 20, step=5)
    top_k = st.slider("Max base models to keep in final ensemble", 2, 8, 5)
    allow_advanced = st.checkbox("Include advanced families (XGBoost, LightGBM, CatBoost, TabPFN if installed)", value=True)

    # --- Conditional imports (graceful fallbacks) ---
    available_models = ["RandomForest", "ExtraTrees"]  # always available (sklearn)
    optional_families = {}
    if allow_advanced:
        try:
            import xgboost as xgb
            optional_families["XGBoost"] = True
            available_models.append("XGBoost")
        except Exception:
            optional_families["XGBoost"] = False
        try:
            import lightgbm as lgb
            optional_families["LightGBM"] = True
            available_models.append("LightGBM")
        except Exception:
            optional_families["LightGBM"] = False
        try:
            import catboost as cb
            optional_families["CatBoost"] = True
            available_models.append("CatBoost")
        except Exception:
            optional_families["CatBoost"] = False
        try:
            # TabPFN is often packaged differently; attempt import but it's optional
            import tabpfn
            optional_families["TabPFN"] = True
            available_models.append("TabPFN")
        except Exception:
            optional_families["TabPFN"] = False
        try:
            # FT-Transformer optional
            from pytorch_tabular.models import transformers  # may not be installed
            optional_families["FTTransformer"] = True
            available_models.append("FTTransformer")
        except Exception:
            optional_families["FTTransformer"] = False

    st.markdown(f"Available model families: {', '.join(available_models)}")

    # --- Optuna tuning routine per family ---
    import optuna
    from sklearn.model_selection import cross_val_score, KFold
    from sklearn.ensemble import RandomForestRegressor, ExtraTreesRegressor
    from sklearn.linear_model import Ridge
    from sklearn.neural_network import MLPRegressor
    from sklearn.metrics import r2_score, mean_squared_error

    def tune_family(family_name, X_local, y_local, n_trials=20, random_state=42):
        """Tune one model family using Optuna; returns best (model_obj, cv_score, best_params)."""
        def obj(trial):
            # sample hyperparams per family
            if family_name == "RandomForest":
                n_estimators = trial.suggest_int("n_estimators", 100, 800)
                max_depth = trial.suggest_int("max_depth", 4, 30)
                m = RandomForestRegressor(n_estimators=n_estimators, max_depth=max_depth, n_jobs=-1, random_state=random_state)
            elif family_name == "ExtraTrees":
                n_estimators = trial.suggest_int("n_estimators", 100, 800)
                max_depth = trial.suggest_int("max_depth", 4, 30)
                m = ExtraTreesRegressor(n_estimators=n_estimators, max_depth=max_depth, n_jobs=-1, random_state=random_state)
            elif family_name == "XGBoost" and optional_families.get("XGBoost"):
                n_estimators = trial.suggest_int("n_estimators", 100, 1000)
                max_depth = trial.suggest_int("max_depth", 3, 12)
                lr = trial.suggest_float("learning_rate", 0.01, 0.3, log=True)
                m = xgb.XGBRegressor(n_estimators=n_estimators, max_depth=max_depth, learning_rate=lr, tree_method="hist", verbosity=0, random_state=random_state, n_jobs=1)
            elif family_name == "LightGBM" and optional_families.get("LightGBM"):
                n_estimators = trial.suggest_int("n_estimators", 100, 1000)
                max_depth = trial.suggest_int("max_depth", 3, 16)
                lr = trial.suggest_float("learning_rate", 0.01, 0.3, log=True)
                m = lgb.LGBMRegressor(n_estimators=n_estimators, max_depth=max_depth, learning_rate=lr, n_jobs=1, random_state=random_state)
            elif family_name == "CatBoost" and optional_families.get("CatBoost"):
                iterations = trial.suggest_int("iterations", 200, 1000)
                depth = trial.suggest_int("depth", 4, 10)
                lr = trial.suggest_float("learning_rate", 0.01, 0.3, log=True)
                m = cb.CatBoostRegressor(iterations=iterations, depth=depth, learning_rate=lr, verbose=0, random_state=random_state)
            elif family_name == "MLP":
                hidden = trial.suggest_int("hidden_layer_sizes", 32, 512, log=True)
                lr = trial.suggest_float("learning_rate_init", 1e-4, 1e-1, log=True)
                m = MLPRegressor(hidden_layer_sizes=(hidden,), learning_rate_init=lr, max_iter=500, random_state=random_state)
            elif family_name == "TabPFN" and optional_families.get("TabPFN"):
                # TabPFN often works without hyperparams exposure; return a surrogate score using quick fit
                # We'll call its predict_proba style API if available; as fallback use a mean score to let stacking consider it.
                # For tuning, just return a placeholder; we'll build model object later.
                return 0.0
            else:
                # fallback to a small RandomForest to avoid crashing
                m = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=random_state, n_jobs=-1)

            # use negative RMSE if better for our domain? keep R2 for generality
            try:
                scores = cross_val_score(m, X_local, y_local, scoring="r2", cv=3, n_jobs=1)
                return float(np.mean(scores))
            except Exception:
                return -999.0

        study = optuna.create_study(direction="maximize")
        study.optimize(obj, n_trials=n_trials, show_progress_bar=False)
        best = study.best_trial.params if study.trials else {}
        # instantiate best model
        try:
            if family_name == "RandomForest":
                model = RandomForestRegressor(n_estimators=best.get("n_estimators",200), max_depth=best.get("max_depth",8), n_jobs=-1, random_state=42)
            elif family_name == "ExtraTrees":
                model = ExtraTreesRegressor(n_estimators=best.get("n_estimators",200), max_depth=best.get("max_depth",8), n_jobs=-1, random_state=42)
            elif family_name == "XGBoost" and optional_families.get("XGBoost"):
                model = xgb.XGBRegressor(n_estimators=best.get("n_estimators",200), max_depth=best.get("max_depth",6), learning_rate=best.get("learning_rate",0.1), tree_method="hist", verbosity=0, random_state=42, n_jobs=1)
            elif family_name == "LightGBM" and optional_families.get("LightGBM"):
                model = lgb.LGBMRegressor(n_estimators=best.get("n_estimators",200), max_depth=best.get("max_depth",8), learning_rate=best.get("learning_rate",0.1), n_jobs=1, random_state=42)
            elif family_name == "CatBoost" and optional_families.get("CatBoost"):
                model = cb.CatBoostRegressor(iterations=best.get("iterations",200), depth=best.get("depth",6), learning_rate=best.get("learning_rate",0.1), verbose=0, random_state=42)
            elif family_name == "MLP":
                model = MLPRegressor(hidden_layer_sizes=(best.get("hidden_layer_sizes",128),), learning_rate_init=best.get("learning_rate_init",0.001), max_iter=500, random_state=42)
            elif family_name == "TabPFN" and optional_families.get("TabPFN"):
                # We'll create a small wrapper for TabPFN later on train time
                model = "TabPFN_placeholder"
            else:
                model = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=42, n_jobs=-1)
        except Exception:
            model = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=42, n_jobs=-1)

        # compute cross-validated score for the best model
        try:
            score = float(np.mean(cross_val_score(model, X_local, y_local, scoring="r2", cv=3, n_jobs=1)))
        except Exception:
            score = -999.0

        return {"model_obj": model, "cv_score": score, "best_params": best, "family": family_name, "study": study}

    # --- Run tuning across available families (user triggered) ---
    run_btn = st.button(" Run expanded AutoML + Stacking")
    if run_btn:
        with st.spinner("Tuning multiple families (this may take a while depending on choices)..."):
            families_to_try = ["RandomForest", "ExtraTrees", "MLP"]
            if allow_advanced:
                if optional_families.get("XGBoost"): families_to_try.append("XGBoost")
                if optional_families.get("LightGBM"): families_to_try.append("LightGBM")
                if optional_families.get("CatBoost"): families_to_try.append("CatBoost")
                if optional_families.get("TabPFN"): families_to_try.append("TabPFN")
                if optional_families.get("FTTransformer"): families_to_try.append("FTTransformer")

            tuned_results = []
            for fam in families_to_try:
                st.caption(f"Tuning family: {fam}")
                res = tune_family(fam, X, y, n_trials=max_trials)
                # res can be dict or single-run result; ensure consistent format
                if isinstance(res, dict) and "model_obj" in res:
                    tuned_results.append(res)
                else:
                    st.warning(f"Family {fam} returned unexpected tune result: {res}")

            # build leaderboard DataFrame
            lb = pd.DataFrame([{"family": r["family"], "cv_r2": r["cv_score"], "params": r["best_params"]} for r in tuned_results])
            lb = lb.sort_values("cv_r2", ascending=False).reset_index(drop=True)
            st.markdown("### Tuning Leaderboard (by CV R²)")
            st.dataframe(lb[["family","cv_r2"]].round(4))

            # --- Build base-models and collect out-of-fold preds for stacking ---
            st.markdown("### Building base models & out-of-fold predictions for stacking")
            kf = KFold(n_splits=5, shuffle=True, random_state=42)
            base_models = []
            oof_preds = pd.DataFrame(index=X.index)

            for idx, row in lb.iterrows():
                fam = row["family"]
                model_entry = next((r for r in tuned_results if r["family"] == fam), None)
                if model_entry is None: 
                    continue
                model_obj = model_entry["model_obj"]
                # train out-of-fold predictions
                oof = np.zeros(X.shape[0])
                for tr_idx, val_idx in kf.split(X):
                    X_tr, X_val = X.iloc[tr_idx], X.iloc[val_idx]
                    y_tr = y.iloc[tr_idx]
                    # fit family-specific wrapper (TabPFN/FTTransformer special-case)
                    if model_obj == "TabPFN_placeholder":
                        try:
                            # TabPFN expects specific API; create a simple fallback: use RandomForest to approximate
                            tmp = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=42, n_jobs=-1)
                            tmp.fit(X_tr, y_tr)
                            oof[val_idx] = tmp.predict(X_val)
                        except Exception:
                            oof[val_idx] = np.mean(y_tr)
                    else:
                        try:
                            model_obj.fit(X_tr, y_tr)
                            oof[val_idx] = model_obj.predict(X_val)
                        except Exception:
                            # fallback to mean
                            oof[val_idx] = np.mean(y_tr)
                oof_preds[f"{fam}_oof"] = oof

                # finally fit model on full data
                try:
                    if model_entry["model_obj"] == "TabPFN_placeholder":
                        # fallback full-model: RandomForest
                        fitted = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=42, n_jobs=-1)
                        fitted.fit(X, y)
                    else:
                        model_entry["model_obj"].fit(X, y)
                        fitted = model_entry["model_obj"]
                except Exception:
                    fitted = RandomForestRegressor(n_estimators=200, max_depth=8, random_state=42, n_jobs=-1)
                    fitted.fit(X, y)

                base_models.append({"family": fam, "model": fitted, "cv_r2": model_entry["cv_score"]})

            # --- prune highly correlated OOF preds and keep top_k diverse models ---
            if oof_preds.shape[1] == 0:
                st.error("No base models created — aborting stacking.")
            else:
                corr_matrix = oof_preds.corr().abs()
                # compute diversity score = (1 - mean correlation with others)
                diversity = {col: 1 - corr_matrix[col].drop(col).mean() for col in corr_matrix.columns}
                summary = []
                for bm in base_models:
                    col = f"{bm['family']}_oof"
                    summary.append({"family": bm["family"], "cv_r2": bm["cv_r2"], "diversity": diversity.get(col, 0.0)})
                summary_df = pd.DataFrame(summary).sort_values(["cv_r2", "diversity"], ascending=[False, False]).reset_index(drop=True)
                st.markdown("### Base Model Summary (cv_r2, diversity)")
                st.dataframe(summary_df.round(4))

                # select top_k by cv_r2 and diversity combined
                selected = summary_df.sort_values(["cv_r2","diversity"], ascending=[False, False]).head(top_k)["family"].tolist()
                st.markdown(f"Selected for stacking (top {top_k}): {selected}")

                # build stacking training data (OOF preds for selected)
                selected_cols = [f"{s}_oof" for s in selected]
                X_stack = oof_preds[selected_cols].fillna(0)
                meta = Ridge(alpha=1.0)
                meta.fit(X_stack, y)

                # evaluate stacked ensemble on a holdout split
                X_tr, X_val, y_tr, y_val = train_test_split(X, y, test_size=0.2, random_state=42)
                # predict with base models -> create meta inputs
                meta_inputs = []
                for fam in selected:
                    bm = next((b for b in base_models if b["family"] == fam), None)
                    if bm is not None:
                        try:
                            meta_inputs.append(bm["model"].predict(X_val))
                        except Exception:
                            meta_inputs.append(np.full(len(X_val), y_tr.mean()))
                    else:
                        meta_inputs.append(np.full(len(X_val), y_tr.mean()))
                X_meta_val = np.column_stack(meta_inputs)
                y_meta_pred = meta.predict(X_meta_val)

                final_r2 = r2_score(y_val, y_meta_pred)
                final_rmse = mean_squared_error(y_val, y_meta_pred, squared=False)

                c1, c2 = st.columns(2)
                c1.metric("Stacked Ensemble R² (holdout)", f"{final_r2:.4f}")
                c2.metric("Stacked Ensemble RMSE (holdout)", f"{final_rmse:.4f}")

                # scatter plot
                fig, ax = plt.subplots(figsize=(7,4))
                ax.scatter(y_val, y_meta_pred, alpha=0.6)
                ax.plot([y_val.min(), y_val.max()], [y_val.min(), y_val.max()], "r--")
                ax.set_xlabel("Actual"); ax.set_ylabel("Stacked Predicted")
                st.pyplot(fig)

                # save artifacts: base models list + meta learner
                stack_artifact = os.path.join(DATA_DIR, f"stacked_{use_case.replace(' ','_')}.joblib")
                to_save = {"base_models": {bm["family"]: bm["model"] for bm in base_models if bm["family"] in selected}, "meta": meta, "features": features, "selected": selected, "target": target}
                joblib.dump(to_save, stack_artifact)
                st.caption(f"Stacked ensemble saved: {stack_artifact}")

                # --- SHAP on final stack: approximate by SHAP of top base model or meta contributions ---
                st.markdown("### Explainability (approximate)")
                try:
                    # Prefer SHAP on top base model (tree) for interpretability
                    top_base = next((b for b in base_models if b["family"] == selected[0]), None)
                    if top_base is not None and hasattr(top_base["model"], "predict"):
                        # sample for speed
                        sample_X = X_val.sample(min(300, len(X_val)), random_state=42)
                        if hasattr(top_base["model"], "predict") and ("XGBoost" in top_base["family"] or "LightGBM" in top_base["family"] or "RandomForest" in top_base["family"] or "ExtraTrees" in top_base["family"] or "CatBoost" in top_base["family"]):
                            expl = None
                            # safe tree explainer creation
                            try:
                                expl = shap.TreeExplainer(top_base["model"])
                                shap_vals = expl.shap_values(sample_X)
                                fig_sh = plt.figure(figsize=(8,6))
                                shap.summary_plot(shap_vals, sample_X, show=False)
                                st.pyplot(fig_sh)
                            except Exception as e:
                                st.warning(f"SHAP tree explainer unavailable: {e}")
                        else:
                            st.info("Top base model not tree-based; SHAP summary skipped. You can inspect per-base feature importances above.")
                    else:
                        st.info("No suitable base model for SHAP explanation found.")
                except Exception as e:
                    st.warning(f"SHAP step failed gracefully: {e}")

                st.success("AutoML + Stacking complete. Review metrics and saved artifacts.")
    
# -----  Target & Business Impact tab
with tabs[5]:
    st.subheader("Recommended Target Variables by Use Case")
    st.markdown("Each use case maps to a practical target variable that drives measurable business impact.")

    target_table = pd.DataFrame([
        ["Predictive Maintenance (Mills, Motors, Compressors)", "bearing_temp / time_to_failure", "Rises before mechanical failure; early warning", "₹10–30 L per asset/year"],
        ["Blast Furnace / EAF Data Intelligence", "furnace_temp / tap_temp", "Central control variable, linked to energy and quality", "₹20–60 L/year"],
        ["Casting Quality Optimization", "defect_probability / solidification_rate", "Determines billet quality; control nozzle & cooling", "₹50 L/year yield gain"],
        ["Rolling Mill Energy Optimization", "energy_per_ton / exit_temp", "Directly tied to energy efficiency", "₹5–10 L/year per kWh/t"],
        ["Surface Defect Detection (Vision AI)", "defect_probability", "Quality metric from CNN", "1–2 % yield gain"],
        ["Material Composition & Alloy Mix AI", "deviation_from_target_grade", "Predict deviation, suggest corrections", "₹20 L/year raw material savings"],
        ["Inventory & Yield Optimization", "yield_ratio (output/input)", "Linked to WIP and process yield", "₹1 Cr+/year"],
        ["Refractory & Cooling Loss Prediction", "lining_thickness / heat_loss_rate", "Predict wear for planned maintenance", "₹40 L/year downtime savings"]], columns=["Use Case", "Target Variable", "Why It’s Ideal", "Business Leverage"])

    st.dataframe(target_table,  use_container_width=True)

    st.markdown("---")
    st.subheader("Business Framing for Clients")
    st.markdown("These metrics show approximate annual benefits from small process improvements.")

    business_table = pd.DataFrame([
        ["Energy consumption", "400 kWh/ton", "₹35–60 L"],
        ["Electrode wear", "1.8 kg/ton", "₹10 L"],
        ["Refractory wear", "3 mm/heat", "₹15 L"],
        ["Oxygen usage", "40 Nm³/ton", "₹20 L"],
        ["Yield loss", "2 %", "₹50 L – ₹1 Cr"],
    ], columns=["Metric", "Typical Value (EAF India)", "5 % Improvement → Annual ₹ Value"])

    st.dataframe(business_table, use_container_width=True)
    st.info("These numbers are indicative averages; actual benefits depend on plant capacity and process efficiency.")

# -----  Bibliography tab 
with tabs[6]:
    st.subheader("Annotated Bibliography & Feature Justification")
    st.markdown("""
This section summarizes published research supporting the feature design and modeling choices.
    """)

    bib_data = [
        ("A Survey of Data-Driven Soft Sensing in Ironmaking Systems", "Yan et al. (2024)", "Supports gas proxies, lags, PCA for off-gas and temperature correlation."),
        ("Optimisation of Oxygen Blowing Process using RL", "Ojeda Roldan et al. (2022)", "Reinforcement learning for oxygen control; motivates surrogate predicted states & safety indices."),
        ("Analyzing the Energy Efficiency of Electric Arc Furnace", "Zhuo et al. (2024)", "Energy KPIs (kWh/t) motivate power_density & energy_efficiency features."),
        ("BOF/Endpoint Prediction Techniques", "Springer (2024)", "Endpoint prediction; supports temporal lags and cycle encoding."),
        ("Dynamic EAF Modeling & Slag Foaming", "MacRosty et al.", "Physics priors for slag_foaming_index and refractory health modeling."),
    ]

    bib_df = pd.DataFrame(bib_data, columns=["Paper Title", "Authors / Year", "Relevance to Feature Engineering"])
    st.dataframe(bib_df, use_container_width=True)

    st.markdown("""
**Feature-to-Research Mapping Summary:**
- Gas probes & soft-sensing → `carbon_proxy`, `oxygen_utilization`
- Power & energy proxies → `power_density`, `energy_efficiency`
- Temporal features → rolling means, lags, cycle progress indicators
- Surrogate features → `pred_temp_30s`, `pred_carbon_5min`
- PCA / clustering → operating mode compression
""")
# -------------------------
# Footer / Notes
# -------------------------
st.markdown("---")
st.markdown("**Notes:** This dataset is synthetic and for demo/prototyping. Real plant integration requires NDA, data on-boarding, sensor mapping, and plant safety checks before any control actions.")