Upload app.py

app.py

@@ -1,277 +1,713 @@
-# Gradio UI aligned to the training script column names (October1.xlsx)
-# - Uses the trained pipeline saved as: stress_gf_xgb.joblib
-# - Makes many inputs optional; missing values are handled by the pipeline imputers
+# ================================================================
+# Self-Sensing Concrete Assistant — Hybrid RAG + XGB + (opt) GPT-5
+# FIXED for Windows/Conda import issues (transformers/quantizers)
+# - Pins compatible versions (transformers 4.44.2, sbert 2.7.0, torch 2.x)
+# - Disables TF/Flax backends; safe fallbacks if dense fails
+# - Hybrid retrieval (BM25 + TF-IDF + Dense*) + MMR sentence selection
+# - Local folder only (RAG reads from ./literature_pdfs); no online indexing
+# - Optional GPT-5 synthesis strictly from selected cited sentences
+# - Gradio UI with Prediction + Literature Q&A tabs
+# ================================================================
 
+# ---------------------- MUST RUN THESE FLAGS FIRST ----------------------
 import os
-import joblib
+os.environ["TRANSFORMERS_NO_TF"] = "1"      # don't import TensorFlow
+os.environ["TRANSFORMERS_NO_FLAX"] = "1"    # don't import Flax/JAX
+os.environ["TOKENIZERS_PARALLELISM"] = "false"
+
+# ------------------------------- Imports -----------------------------------
+import re, json, time, joblib, warnings, math, hashlib
+from pathlib import Path
+from typing import List, Dict
 import numpy as np
 import pandas as pd
+
+from sklearn.model_selection import train_test_split
+from sklearn.impute import SimpleImputer
+from sklearn.pipeline import Pipeline
+from sklearn.compose import ColumnTransformer
+from sklearn.preprocessing import RobustScaler, OneHotEncoder
+from sklearn.preprocessing import normalize as sk_normalize
+from sklearn.metrics import r2_score, mean_absolute_error, mean_squared_error
+from sklearn.feature_selection import VarianceThreshold
+from sklearn.feature_extraction.text import TfidfVectorizer
+
+from xgboost import XGBRegressor
+from pypdf import PdfReader
+import fitz  # PyMuPDF
 import gradio as gr
 
-# ========================= Column Names (match training script) =========================
-CF_COL = "Conductive Filler Conc. (wt%)"
-TARGET_COL = "Stress GF (MPa-1)"
-
-MAIN_VARIABLES = [
-    "Filler 1 Type",
-    "Filler 1 Diameter (µm)",
-    "Filler 1 Length (mm)",
-    CF_COL,
-    "Filler 1 Dimensionality",
-    "Filler 2 Type",
-    "Filler 2 Diameter (µm)",
-    "Filler 2 Length (mm)",
-    "Filler 2 Dimensionality",
-    "Specimen Volume (mm3)",
-    "Probe Count",
-    "Probe Material",
-    "W/B",
-    "S/B",
-    "Gauge Length (mm)",
-    "Curing Condition",
-    "Number of Fillers",
-    "Drying Temperature (°C)",
-    "Drying Duration (hr)",
-    "Loading Rate (MPa/s)",
-    "Modulus of Elasticity (GPa)",
-    "Current Type",
-    "Applied Voltage (V)"
+USE_DENSE = True
+try:
+    from sentence_transformers import SentenceTransformer
+except Exception as e:
+    USE_DENSE = False
+    print("⚠️ sentence-transformers unavailable; continuing with TF-IDF + BM25 only.\n", e)
+
+from rank_bm25 import BM25Okapi
+from openai import OpenAI
+
+warnings.filterwarnings("ignore", category=UserWarning)
+
+# ============================ Config =======================================
+# --- Data & model paths ---
+DATA_PATH       = "july3.xlsx"   # <- update if needed
+
+# --- Local PDF folder for RAG (no online indexing) ---
+LOCAL_PDF_DIR   = Path(r"C:\Users\nmoha13\Downloads\literature_pdfs")  # <- your local folder
+LOCAL_PDF_DIR.mkdir(exist_ok=True)
+
+# --- RAG artifacts (kept in working dir) ---
+ARTIFACT_DIR    = Path("rag_artifacts"); ARTIFACT_DIR.mkdir(exist_ok=True)
+MODEL_OUT       = "stress_gf_xgb.joblib"
+TFIDF_VECT_PATH = ARTIFACT_DIR / "tfidf_vectorizer.joblib"
+TFIDF_MAT_PATH  = ARTIFACT_DIR / "tfidf_matrix.joblib"
+BM25_TOK_PATH   = ARTIFACT_DIR / "bm25_tokens.joblib"
+EMB_NPY_PATH    = ARTIFACT_DIR / "chunk_embeddings.npy"
+RAG_META_PATH   = ARTIFACT_DIR / "chunks.parquet"
+
+# --- Embedding model (fast CPU) ---
+EMB_MODEL_NAME    = os.getenv("EMB_MODEL_NAME", "sentence-transformers/all-MiniLM-L6-v2")
+
+# --- OpenAI (optional LLM synthesis) ---
+OPENAI_MODEL      = os.getenv("OPENAI_MODEL", "gpt-4o-mini")  # e.g., "gpt-5-mini"
+OPENAI_API_KEY    = os.getenv("OPENAI_API_KEY", None)   # set env var to enable LLM
+
+# --- Retrieval weights (UI defaults adapt if dense disabled) ---
+W_TFIDF_DEFAULT = 0.50 if not USE_DENSE else 0.30
+W_BM25_DEFAULT  = 0.50 if not USE_DENSE else 0.30
+W_EMB_DEFAULT   = 0.00 if not USE_DENSE else 0.40
+
+RANDOM_SEED = 42
+
+# ==================== XGB Pipeline (Prediction) ============================
+def make_onehot():
+    try:
+        return OneHotEncoder(handle_unknown="ignore", sparse_output=False)
+    except TypeError:
+        return OneHotEncoder(handle_unknown="ignore", sparse=False)
+
+def rmse(y_true, y_pred):
+    return mean_squared_error(y_true, y_pred)
+
+def evaluate(m, X, y_log, name="Model"):
+    y_pred_log = m.predict(X)
+    y_pred = np.expm1(y_pred_log)
+    y_true = np.expm1(y_log)
+    r2  = r2_score(y_true, y_pred)
+    r   = rmse(y_true, y_pred)
+    mae = mean_absolute_error(y_true, y_pred)
+    print(f"{name}: R²={r2:.3f}, RMSE={r:.3f}, MAE={mae:.3f}")
+    return r2, r, mae
+
+# --- Load data
+df = pd.read_excel(DATA_PATH)
+df.columns = df.columns.str.strip()
+
+drop_cols = [
+    'Loading rate (MPa/s)', 'Voltage (V) AC\\DC', 'Elastic Modulus (GPa)', 'Duration (hrs) of Dying Method'
 ]
+df = df.drop(columns=[c for c in drop_cols if c in df.columns], errors='ignore')
 
-NUMERIC_COLS = {
-    "Filler 1 Diameter (µm)",
-    "Filler 1 Length (mm)",
-    CF_COL,
-    "Filler 2 Diameter (µm)",
-    "Filler 2 Length (mm)",
-    "Specimen Volume (mm3)",
-    "Probe Count",
-    "W/B",
-    "S/B",
-    "Gauge Length (mm)",
-    "Number of Fillers",
-    "Drying Temperature (°C)",
-    "Drying Duration (hr)",
-    "Loading Rate (MPa/s)",
-    "Modulus of Elasticity (GPa)",
-    "Applied Voltage (V)"
-}
+main_variables = [
+    'Filler1_Type', 'Filler1_Diameter_um', 'Filler1_Length_mm',
+    'AvgFiller_Density_g/cm3', 'AvgFiller_weight_%', 'AvgFiller_Volume_%',
+    'Filler1_Dimensions', 'Filler2_Type', 'Filler2_Diameter_um', 'Filler2_Length_mm',
+    'Filler2_Dimensions', 'Sample_Volume_mm3', 'Electrode/Probe_Count', 'Electrode/Probe_Material',
+    'W/B', 'S/B', 'GaugeLength_mm', 'Curing_Conditions', 'Num_ConductiveFillers',
+    'DryingTemperature_C', 'DryingDuration_hrs', 'LoadingRate_MPa/s',
+    'ElasticModulus_Gpa', 'Voltage_Type', 'Applied_Voltage_V'
+]
+target_col = 'Stress_GF_Mpa'
+
+df = df[main_variables + [target_col]].copy()
+df = df.dropna(subset=[target_col])
+df = df[df[target_col] > 0]
+
+numeric_cols = [
+    'Filler1_Diameter_um', 'Filler1_Length_mm', 'AvgFiller_Density_g/cm3',
+    'AvgFiller_weight_%', 'AvgFiller_Volume_%', 'Filler2_Diameter_um',
+    'Filler2_Length_mm', 'Sample_Volume_mm3', 'Electrode/Probe_Count',
+    'W/B', 'S/B', 'GaugeLength_mm', 'Num_ConductiveFillers',
+    'DryingTemperature_C', 'DryingDuration_hrs', 'LoadingRate_MPa/s',
+    'ElasticModulus_Gpa', 'Applied_Voltage_V'
+]
+categorical_cols = [
+    'Filler1_Type', 'Filler1_Dimensions', 'Filler2_Type', 'Filler2_Dimensions',
+    'Electrode/Probe_Material', 'Curing_Conditions', 'Voltage_Type'
+]
+
+for c in numeric_cols:
+    df[c] = pd.to_numeric(df[c], errors='coerce')
+for c in categorical_cols:
+    df[c] = df[c].astype(str)
+
+vt = VarianceThreshold(threshold=1e-3)
+vt.fit(df[numeric_cols])
+numeric_cols = [c for c in numeric_cols if c not in df[numeric_cols].columns[vt.variances_ < 1e-3]]
 
-CATEGORICAL_COLS = {
-    "Filler 1 Type",
-    "Filler 1 Dimensionality",
-    "Filler 2 Type",
-    "Filler 2 Dimensionality",
-    "Probe Material",
-    "Curing Condition",
-    "Current Type"
+corr = df[numeric_cols].corr().abs()
+upper = corr.where(np.triu(np.ones(corr.shape), k=1).astype(bool))
+to_drop = [c for c in upper.columns if any(upper[c] > 0.95)]
+numeric_cols = [c for c in numeric_cols if c not in to_drop]
+
+X = df[main_variables].copy()
+y = np.log1p(df[target_col])
+
+X_train, X_test, y_train, y_test = train_test_split(
+    X, y, test_size=0.2, random_state=RANDOM_SEED
+)
+
+BEST_PARAMS = {
+    "regressor__subsample":        1.0,
+    "regressor__reg_lambda":       5,
+    "regressor__reg_alpha":        0.05,
+    "regressor__n_estimators":     300,
+    "regressor__max_depth":        6,
+    "regressor__learning_rate":    0.1,
+    "regressor__gamma":            0,
+    "regressor__colsample_bytree": 1.0
 }
 
-# Reasonable UI choices (free text is still allowed)
-DIM_CHOICES = ["0D", "1D", "2D", "3D", "NA"]
-CURRENT_CHOICES = ["DC", "AC", "NA"]
+def train_and_save_model():
+    num_tf = Pipeline([('imputer', SimpleImputer(strategy='median')),
+                       ('scaler', RobustScaler())])
+    cat_tf = Pipeline([('imputer', SimpleImputer(strategy='most_frequent')),
+                       ('onehot', make_onehot())])
 
-# ========================= Model Loader ================================================
-MODEL_CANDIDATES = [
-    "stress_gf_xgb.joblib",
-    "models/stress_gf_xgb.joblib",
-    "/home/user/app/stress_gf_xgb.joblib",
-]
+    preprocessor = ColumnTransformer([
+        ('num', num_tf, numeric_cols),
+        ('cat', cat_tf, categorical_cols)
+    ])
+
+    xgb_pipe = Pipeline([
+        ('preprocessor', preprocessor),
+        ('regressor', XGBRegressor(random_state=RANDOM_SEED, n_jobs=-1, verbosity=0))
+    ])
+    xgb_pipe.set_params(**BEST_PARAMS).fit(X_train, y_train)
+
+    joblib.dump(xgb_pipe, MODEL_OUT)
+    print(f"✅ Trained new model and saved → {MODEL_OUT}")
+    return xgb_pipe
+
+def load_or_train_model():
+    if os.path.exists(MODEL_OUT):
+        print(f"📂 Loading existing model from {MODEL_OUT}")
+        return joblib.load(MODEL_OUT)
+    else:
+        print("⚠️ No saved model found. Training a new one...")
+        return train_and_save_model()
+
+xgb_pipe = load_or_train_model()
+
+# ======================= Hybrid RAG Indexing ================================
+_SENT_SPLIT_RE = re.compile(r"(?<=[.!?])\s+|\n+")
+TOKEN_RE = re.compile(r"[A-Za-z0-9_#+\-/\.%]+")
+
+def sent_split(text: str) -> List[str]:
+    sents = [s.strip() for s in _SENT_SPLIT_RE.split(text) if s.strip()]
+    return [s for s in sents if len(s.split()) >= 5]
+
+def tokenize(text: str) -> List[str]:
+    return [t.lower() for t in TOKEN_RE.findall(text)]
+
+def extract_text_pymupdf(pdf_path: Path) -> str:
+    try:
+        doc = fitz.open(pdf_path)
+        buff = []
+        for i, page in enumerate(doc):
+            txt = page.get_text("text") or ""
+            buff.append(f"[[PAGE={i+1}]]\n{txt}")
+        return "\n\n".join(buff)
+    except Exception:
+        # Fallback to PyPDF
+        try:
+            reader = PdfReader(str(pdf_path))
+            buff = []
+            for i, p in enumerate(reader.pages):
+                txt = p.extract_text() or ""
+                buff.append(f"[[PAGE={i+1}]]\n{txt}")
+            return "\n\n".join(buff)
+        except Exception as e:
+            print(f"PDF read error ({pdf_path}): {e}")
+            return ""
+
+def chunk_by_sentence_windows(text: str, win_size=8, overlap=2) -> List[str]:
+    sents = sent_split(text)
+    chunks = []
+    step = max(1, win_size - overlap)
+    for i in range(0, len(sents), step):
+        window = sents[i:i+win_size]
+        if not window: break
+        chunks.append(" ".join(window))
+    return chunks
+
+def _safe_init_st_model(name: str):
+    """Try to init SentenceTransformer; on failure, disable dense and return None."""
+    global USE_DENSE
+    if not USE_DENSE:
+        return None
+    try:
+        m = SentenceTransformer(name)
+        return m
+    except Exception as e:
+        print("⚠️ Could not initialize SentenceTransformer; disabling dense embeddings.\n", e)
+        USE_DENSE = False
+        return None
+
+def _collect_pdf_paths(pdf_dir: Path) -> List[Path]:
+    # Collect PDFs recursively from the local folder
+    return list(Path(pdf_dir).glob("**/*.pdf"))
+
+def build_or_load_hybrid(pdf_dir: Path):
+    # If artifacts exist, load them
+    have_cache = (TFIDF_VECT_PATH.exists() and TFIDF_MAT_PATH.exists()
+                  and BM25_TOK_PATH.exists() and RAG_META_PATH.exists()
+                  and (EMB_NPY_PATH.exists() or not USE_DENSE))
+    if have_cache:
+        vectorizer = joblib.load(TFIDF_VECT_PATH)
+        X_tfidf    = joblib.load(TFIDF_MAT_PATH)
+        meta       = pd.read_parquet(RAG_META_PATH)
+        bm25_toks  = joblib.load(BM25_TOK_PATH)
+        emb        = np.load(EMB_NPY_PATH) if (USE_DENSE and EMB_NPY_PATH.exists()) else None
+        print("Loaded hybrid index.")
+        return vectorizer, X_tfidf, meta, bm25_toks, emb
+
+    # Fresh index
+    rows, all_tokens = [], []
+    pdf_paths = _collect_pdf_paths(pdf_dir)
+    print(f"Indexing PDFs from {pdf_dir}. Found {len(pdf_paths)} files.")
+    for pdf in pdf_paths:
+        raw = extract_text_pymupdf(pdf)
+        if not raw.strip():
+            continue
+        for i, ch in enumerate(chunk_by_sentence_windows(raw, win_size=8, overlap=2)):
+            rows.append({"doc_path": str(pdf), "chunk_id": i, "text": ch})
+            all_tokens.append(tokenize(ch))
+
+    if not rows:
+        raise RuntimeError(f"No PDF text found under: {pdf_dir}")
+
+    meta = pd.DataFrame(rows)
+
+    # TF-IDF
+    vectorizer = TfidfVectorizer(
+        ngram_range=(1,2),
+        min_df=1, max_df=0.95,
+        sublinear_tf=True, smooth_idf=True,
+        lowercase=True,
+        token_pattern=r"(?u)\b\w[\w\-\./%+#]*\b"
+    )
+    X_tfidf = vectorizer.fit_transform(meta["text"].tolist())
+
+    # Dense (optional)
+    emb = None
+    if USE_DENSE:
+        try:
+            st_model_tmp = _safe_init_st_model(EMB_MODEL_NAME)
+            if st_model_tmp is not None:
+                em = st_model_tmp.encode(meta["text"].tolist(), batch_size=64, show_progress_bar=False, convert_to_numpy=True)
+                emb = sk_normalize(em)
+                np.save(EMB_NPY_PATH, emb)
+        except Exception as e:
+            emb = None
+            print("⚠️ Dense embeddings failed; continuing without them.\n", e)
 
-def _load_model_or_error():
-    for p in MODEL_CANDIDATES:
-        if os.path.exists(p):
+    # Save artifacts
+    joblib.dump(vectorizer, TFIDF_VECT_PATH)
+    joblib.dump(X_tfidf, TFIDF_MAT_PATH)
+    joblib.dump(all_tokens, BM25_TOK_PATH)
+    meta.to_parquet(RAG_META_PATH, index=False)
+
+    print(f"Indexed {len(meta)} chunks from {meta['doc_path'].nunique()} PDFs.")
+    return vectorizer, X_tfidf, meta, all_tokens, emb
+
+# ---------- Auto reindex if new/modified PDFs are detected ----------
+from datetime import datetime
+
+def auto_reindex_if_needed(pdf_dir: Path):
+    """Rebuilds RAG index if new or modified PDFs are detected."""
+    meta_path = RAG_META_PATH
+    pdfs = _collect_pdf_paths(pdf_dir)
+    if not meta_path.exists():
+        print("No existing index found — indexing now...")
+        # Remove stale artifacts if any partial set exists
+        for p in [TFIDF_VECT_PATH, TFIDF_MAT_PATH, BM25_TOK_PATH, EMB_NPY_PATH]:
+            try:
+                if p.exists(): p.unlink()
+            except Exception:
+                pass
+        return  # build will happen below
+    last_index_time = datetime.fromtimestamp(meta_path.stat().st_mtime)
+    recent = [p for p in pdfs if datetime.fromtimestamp(p.stat().st_mtime) > last_index_time]
+    if recent:
+        print(f"Found {len(recent)} new/updated PDFs — rebuilding index...")
+        # Clear artifacts to force rebuild
+        for p in [TFIDF_VECT_PATH, TFIDF_MAT_PATH, BM25_TOK_PATH, EMB_NPY_PATH, RAG_META_PATH]:
             try:
-                return joblib.load(p)
-            except Exception as e:
-                return f"Could not load model from {p}: {e}"
-    return (
-        "Model file not found. Upload your trained pipeline as "
-        "stress_gf_xgb.joblib (or put it in models/)."
+                if p.exists(): p.unlink()
+            except Exception:
+                pass
+
+# Build hybrid index (local only)
+auto_reindex_if_needed(LOCAL_PDF_DIR)
+tfidf_vectorizer, tfidf_matrix, rag_meta, bm25_tokens, emb_matrix = build_or_load_hybrid(LOCAL_PDF_DIR)
+bm25 = BM25Okapi(bm25_tokens)
+st_query_model = _safe_init_st_model(EMB_MODEL_NAME)  # safe init; may set USE_DENSE=False
+
+# If dense failed at runtime, update default weights in case UI uses them
+if not USE_DENSE:
+    W_TFIDF_DEFAULT, W_BM25_DEFAULT, W_EMB_DEFAULT = 0.50, 0.50, 0.00
+
+def _extract_page(text_chunk: str) -> str:
+    m = list(re.finditer(r"\[\[PAGE=(\d+)\]\]", text_chunk))
+    return (m[-1].group(1) if m else "?")
+
+# ---------------------- Hybrid search --------------------------------------
+def hybrid_search(query: str, k=8, w_tfidf=W_TFIDF_DEFAULT, w_bm25=W_BM25_DEFAULT, w_emb=W_EMB_DEFAULT):
+    # Dense (optional)
+    if USE_DENSE and st_query_model is not None and emb_matrix is not None and w_emb > 0:
+        try:
+            q_emb = st_query_model.encode([query], convert_to_numpy=True)
+            q_emb = sk_normalize(q_emb)[0]
+            dense_scores = emb_matrix @ q_emb
+        except Exception as e:
+            print("⚠️ Dense query encoding failed; ignoring dense this run.\n", e)
+            dense_scores = np.zeros(len(rag_meta), dtype=float)
+            w_emb = 0.0
+    else:
+        dense_scores = np.zeros(len(rag_meta), dtype=float)
+        w_emb = 0.0  # force off
+
+    # TF-IDF
+    q_vec = tfidf_vectorizer.transform([query])
+    tfidf_scores = (tfidf_matrix @ q_vec.T).toarray().ravel()
+
+    # BM25
+    q_tokens = [t.lower() for t in TOKEN_RE.findall(query)]
+    bm25_scores = np.array(bm25.get_scores(q_tokens), dtype=float)
+
+    def _norm(x):
+        x = np.asarray(x, dtype=float)
+        if np.allclose(x.max(), x.min()):
+            return np.zeros_like(x)
+        return (x - x.min()) / (x.max() - x.min())
+
+    s_dense = _norm(dense_scores)
+    s_tfidf = _norm(tfidf_scores)
+    s_bm25  = _norm(bm25_scores)
+
+    total_w = (w_tfidf + w_bm25 + w_emb) or 1.0
+    w_tfidf, w_bm25, w_emb = w_tfidf/total_w, w_bm25/total_w, w_emb/total_w
+
+    combo = w_emb * s_dense + w_tfidf * s_tfidf + w_bm25 * s_bm25
+    idx = np.argsort(-combo)[:k]
+    hits = rag_meta.iloc[idx].copy()
+    hits["score_dense"] = s_dense[idx]
+    hits["score_tfidf"] = s_tfidf[idx]
+    hits["score_bm25"]  = s_bm25[idx]
+    hits["score"]       = combo[idx]
+    return hits.reset_index(drop=True)
+
+# -------------- Sentence selection with MMR (diversity) --------------------
+def split_sentences(text: str) -> List[str]:
+    sents = sent_split(text)
+    return [s for s in sents if 6 <= len(s.split()) <= 60]
+
+def mmr_select_sentences(question: str, hits: pd.DataFrame, top_n=4, pool_per_chunk=6, lambda_div=0.7):
+    pool = []
+    for _, row in hits.iterrows():
+        doc = Path(row["doc_path"]).name
+        page = _extract_page(row["text"])
+        for s in split_sentences(row["text"])[:pool_per_chunk]:
+            pool.append({"sent": s, "doc": doc, "page": page})
+    if not pool:
+        return []
+
+    sent_texts = [p["sent"] for p in pool]
+
+    if USE_DENSE and st_query_model is not None:
+        try:
+            texts = [question] + sent_texts
+            enc = st_query_model.encode(texts, convert_to_numpy=True)
+            q_vec = sk_normalize(enc[:1])[0]
+            S    = sk_normalize(enc[1:])
+            rel = (S @ q_vec)
+            def sim_fn(i, j): return float(S[i] @ S[j])
+        except Exception as e:
+            print("⚠️ Dense sentence encoding failed; falling back to TF-IDF for MMR.\n", e)
+            Q = tfidf_vectorizer.transform([question])
+            S = tfidf_vectorizer.transform(sent_texts)
+            rel = (S @ Q.T).toarray().ravel()
+            def sim_fn(i, j): return float((S[i] @ S[j].T).toarray()[0, 0])
+    else:
+        Q = tfidf_vectorizer.transform([question])
+        S = tfidf_vectorizer.transform(sent_texts)
+        rel = (S @ Q.T).toarray().ravel()
+        def sim_fn(i, j): return float((S[i] @ S[j].T).toarray()[0, 0])
+
+    selected, selected_idx = [], []
+    remain = list(range(len(pool)))
+    first = int(np.argmax(rel))
+    selected.append(pool[first]); selected_idx.append(first); remain.remove(first)
+
+    while len(selected) < top_n and remain:
+        cand_scores = []
+        for i in remain:
+            sim_to_sel = max(sim_fn(i, j) for j in selected_idx) if selected_idx else 0.0
+            score = lambda_div * rel[i] - (1 - lambda_div) * sim_to_sel
+            cand_scores.append((score, i))
+        cand_scores.sort(reverse=True)
+        best_i = cand_scores[0][1]
+        selected.append(pool[best_i]); selected_idx.append(best_i); remain.remove(best_i)
+    return selected
+
+def compose_extractive(selected: List[Dict]) -> str:
+    if not selected:
+        return ""
+    lines = [f"{s['sent']} ({s['doc']}, p.{s['page']})" for s in selected]
+    return " ".join(lines)
+
+# ------------------- Optional GPT-5 synthesis ------------------------------
+# ------------------- Optional GPT-4o/GPT-5 synthesis ------------------------------
+def synthesize_with_llm(question: str, sentence_lines: List[str], model: str = None, temperature: float = 0.2) -> str:
+    if OPENAI_API_KEY is None:
+        print("Skipping ChatGPT")
+        return None  # not configured → skip synthesis
+
+    from openai import OpenAI
+    client = OpenAI(api_key=OPENAI_API_KEY)
+    if model is None:
+        model = OPENAI_MODEL
+
+    # --- Stronger, clean academic prompt ---
+    SYSTEM_PROMPT = (
+        "You are a scientific writing assistant specializing in self-sensing cementitious materials.\n"
+        "Write a short, fluent, and informative paragraph (3–6 sentences) answering the question using ONLY the provided evidence.\n"
+        "Rephrase and synthesize ideas; do not copy sentences verbatim.\n"
+        "Include parenthetical citations exactly as given (e.g., '(Paper.pdf, p.4)')."
+    )
+
+    user_prompt = (
+        f"Question: {question}\n\n"
+        "Evidence:\n" +
+        "\n".join(f"- {s}" for s in sentence_lines)
     )
 
-# ========================= Input Coercion =============================================
-def _coerce_to_row(form_dict: dict) -> pd.DataFrame:
-    row = {}
-    for col in MAIN_VARIABLES:
-        v = form_dict.get(col, None)
-        if col in NUMERIC_COLS:
-            if v in ("", None):
-                row[col] = np.nan
+    try:
+        print("🔍 Calling GPT synthesis...")
+        response = client.chat.completions.create(
+            model=model,
+            temperature=temperature,
+            messages=[
+                {"role": "system", "content": SYSTEM_PROMPT},
+                {"role": "user", "content": user_prompt},
+            ],
+        )
+
+        answer = response.choices[0].message.content.strip()
+        return answer
+
+    except Exception as e:
+        print(f"❌ LLM synthesis error: {e}")
+        return None
+
+
+# ------------------------ RAG reply ----------------------------------------
+def rag_reply(
+    question: str,
+    k: int = 8,
+    n_sentences: int = 4,
+    include_passages: bool = False,
+    use_llm: bool = False,
+    model: str = None,
+    temperature: float = 0.2,
+    strict_quotes_only: bool = False,
+    w_tfidf: float = W_TFIDF_DEFAULT,
+    w_bm25: float  = W_BM25_DEFAULT,
+    w_emb: float   = W_EMB_DEFAULT
+) -> str:
+    hits = hybrid_search(question, k=k, w_tfidf=w_tfidf, w_bm25=w_bm25, w_emb=w_emb)
+    if hits.empty:
+        return "No relevant passages found. Add more PDFs in literature_pdfs/ or adjust your query."
+
+    selected = mmr_select_sentences(question, hits, top_n=int(n_sentences), pool_per_chunk=6, lambda_div=0.7)
+    header_cites = "; ".join(
+        f"{Path(r['doc_path']).name} (p.{_extract_page(r['text'])})" for _, r in hits.head(6).iterrows()
+    )
+    # Coverage note (helps debugging thin answers)
+    srcs = {Path(r['doc_path']).name for _, r in hits.iterrows()}
+    coverage_note = ""
+    if len(srcs) < 3:
+        coverage_note = f"\n\n> Note: Only {len(srcs)} unique source(s) contributed. Add more PDFs or increase Top-K."
+
+    if strict_quotes_only:
+        if not selected:
+            return f"**Quoted Passages:**\n\n---\n" + "\n\n".join(hits["text"].tolist()[:2]) + \
+                   f"\n\n**Citations:** {header_cites}{coverage_note}"
+        msg = "**Quoted Passages:**\n- " + "\n- ".join(f"{s['sent']} ({s['doc']}, p.{s['page']})" for s in selected)
+        msg += f"\n\n**Citations:** {header_cites}{coverage_note}"
+        if include_passages:
+            msg += "\n\n---\n" + "\n\n".join(hits["text"].tolist()[:2])
+        return msg
+
+    # Extractive baseline
+    extractive = compose_extractive(selected)
+
+    # Optional LLM synthesis
+    if use_llm and selected:
+        lines = [f"{s['sent']} ({s['doc']}, p.{s['page']})" for s in selected]
+        llm_text = synthesize_with_llm(question, lines, model=model, temperature=temperature)
+        if llm_text:
+            msg = f"**Answer (GPT-5 synthesis):** {llm_text}\n\n**Citations:** {header_cites}{coverage_note}"
+            if include_passages:
+                msg += "\n\n---\n" + "\n\n".join(hits["text"].tolist()[:2])
+            return msg
+
+    # Fallback: purely extractive
+    if not extractive:
+        return f"**Answer:** Here are relevant passages.\n\n**Citations:** {header_cites}{coverage_note}\n\n---\n" + \
+               "\n\n".join(hits["text"].tolist()[:2])
+
+    msg = f"**Answer:** {extractive}\n\n**Citations:** {header_cites}{coverage_note}"
+    if include_passages:
+        msg += "\n\n---\n" + "\n\n".join(hits["text"].tolist()[:2])
+    return msg
+
+# =========================== Gradio UI =====================================
+INPUT_COLS = [
+    "Filler1_Type", "Filler1_Dimensions", "Filler1_Diameter_um", "Filler1_Length_mm",
+    "Filler2_Type", "Filler2_Dimensions", "Filler2_Diameter_um", "Filler2_Length_mm",
+    "AvgFiller_Density_g/cm3", "AvgFiller_weight_%", "AvgFiller_Volume_%",
+    "Sample_Volume_mm3", "Electrode/Probe_Count", "Electrode/Probe_Material",
+    "W/B", "S/B", "GaugeLength_mm", "Curing_Conditions", "Num_ConductiveFillers",
+    "DryingTemperature_C", "DryingDuration_hrs", "LoadingRate_MPa/s",
+    "ElasticModulus_Gpa", "Voltage_Type", "Applied_Voltage_V"
+]
+NUMERIC_INPUTS = {
+    "Filler1_Diameter_um","Filler1_Length_mm","Filler2_Diameter_um","Filler2_Length_mm",
+    "AvgFiller_Density_g/cm3","AvgFiller_weight_%","AvgFiller_Volume_%","Sample_Volume_mm3",
+    "Electrode/Probe_Count","W/B","S/B","GaugeLength_mm","Num_ConductiveFillers",
+    "DryingTemperature_C","DryingDuration_hrs","LoadingRate_MPa/s","ElasticModulus_Gpa",
+    "Applied_Voltage_V"
+}
+CAT_DIM_CHOICES = ["0D","1D","2D","3D","NA"]
+
+def _coerce_row(args):
+    row = {c: v for c, v in zip(INPUT_COLS, args)}
+    clean = {}
+    for k, v in row.items():
+        if k in NUMERIC_INPUTS:
+            if v in ("", None): clean[k] = None
             else:
-                try:
-                    row[col] = float(v)
-                except Exception:
-                    row[col] = np.nan
+                try: clean[k] = float(v)
+                except: clean[k] = None
         else:
-            row[col] = "" if v in (None, "NA") else str(v).strip()
-    return pd.DataFrame([row], columns=MAIN_VARIABLES)
+            clean[k] = "" if v is None else str(v).strip()
+    return pd.DataFrame([clean], columns=INPUT_COLS)
 
-# ========================= Predict Function ===========================================
-def predict_fn(**kwargs):
-    mdl = _load_model_or_error()
-    if isinstance(mdl, str):
-        return mdl
-
-    X_new = _coerce_to_row(kwargs)
+def _load_model():
+    if not os.path.exists(MODEL_OUT):
+        raise FileNotFoundError(f"Model file not found at '{MODEL_OUT}'. Retrain above.")
+    return joblib.load(MODEL_OUT)
 
+def predict_fn(*args):
     try:
-        y_log = mdl.predict(X_new)               # model predicts log1p(target)
-        y = float(np.expm1(y_log)[0])            # back to original scale MPa^-1
-        if -1e-10 < y < 0:
-            y = 0.0
+        mdl = _load_model()
+        X_new = _coerce_row(args)
+        y_log = mdl.predict(X_new)
+        y = float(np.expm1(y_log)[0])
+        if -1e-8 < y < 0: y = 0.0
         return y
     except Exception as e:
-        return f"Prediction error: {e}"
-
-# ========================= Example Prefill ============================================
-EXAMPLE = {
-    "Filler 1 Type": "CNT",
-    "Filler 1 Dimensionality": "1D",
-    "Filler 1 Diameter (µm)": 0.02,
-    "Filler 1 Length (mm)": 1.2,
-    CF_COL: 0.5,
-    "Filler 2 Type": "",
-    "Filler 2 Dimensionality": "NA",
-    "Filler 2 Diameter (µm)": None,
-    "Filler 2 Length (mm)": None,
-    "Specimen Volume (mm3)": 1000,
-    "Probe Count": 2,
-    "Probe Material": "Copper",
-    "W/B": 0.4,
-    "S/B": 2.5,
-    "Gauge Length (mm)": 20,
-    "Curing Condition": "28d water, 20°C",
-    "Number of Fillers": 1,
-    "Drying Temperature (°C)": 60,
-    "Drying Duration (hr)": 24,
-    "Loading Rate (MPa/s)": 0.1,
-    "Modulus of Elasticity (GPa)": 25,
-    "Current Type": "DC",
-    "Applied Voltage (V)": 5.0,
-}
+        return f"Error during prediction: {e}"
 
-def _fill_example():
-    return [EXAMPLE.get(k, None) for k in MAIN_VARIABLES]
-
-def _clear_all():
-    cleared = []
-    for col in MAIN_VARIABLES:
-        if col in NUMERIC_COLS:
-            cleared.append(None)
-        elif col in {"Filler 1 Dimensionality", "Filler 2 Dimensionality"}:
-            cleared.append("NA")
-        elif col == "Current Type":
-            cleared.append("NA")
-        else:
-            cleared.append("")
-    return cleared
-
-# ========================= UI =========================================================
-CSS = """
-/* Blue to green gradient background */
-.gradio-container {
-    background: linear-gradient(135deg, #1e3a8a 0%, #166534 60%, #15803d 100%) !important;
-}
-* {font-family: ui-sans-serif, system-ui, -apple-system, 'Segoe UI', Roboto, 'Helvetica Neue', Arial;}
-/* cards - subtle translucent white */
-.card {background: rgba(255,255,255,0.07) !important; border: 1px solid rgba(255,255,255,0.12);}
-label.svelte-1ipelgc {color: #e0f2fe !important;}
-"""
-
-theme = gr.themes.Soft(
-    primary_hue="blue",
-    neutral_hue="green"
-).set(
-    body_background_fill="#1e3a8a",
-    body_text_color="#e0f2fe",
-    input_background_fill="#172554",
-    input_border_color="#1e40af",
-    button_primary_background_fill="#2563eb",
-    button_primary_text_color="#ffffff",
-    button_secondary_background_fill="#14532d",
-    button_secondary_text_color="#ecfdf5",
-)
+def rag_chat_fn(message, history, top_k, n_sentences, include_passages,
+                use_llm, model_name, temperature, strict_quotes_only,
+                w_tfidf, w_bm25, w_emb):
+    if not message or not message.strip():
+        return "Ask a literature question (e.g., *How does CNT length affect gauge factor?*)"
+    try:
+        return rag_reply(
+            question=message,
+            k=int(top_k),
+            n_sentences=int(n_sentences),
+            include_passages=bool(include_passages),
+            use_llm=bool(use_llm),
+            model=(model_name or None),
+            temperature=float(temperature),
+            strict_quotes_only=bool(strict_quotes_only),
+            w_tfidf=float(w_tfidf),
+            w_bm25=float(w_bm25),
+            w_emb=float(w_emb),
+        )
+    except Exception as e:
+        return f"RAG error: {e}"
 
-with gr.Blocks(css=CSS, theme=theme, fill_height=True) as demo:
+with gr.Blocks() as demo:
+    gr.Markdown("# 🧪 Self-Sensing Concrete Assistant — Hybrid RAG (Accurate Q&A)")
     gr.Markdown(
-        "<h1 style='margin:0'>Stress Gauge Factor (MPa^-1) - ML Predictor</h1>"
-        "<p style='opacity:.9'>Fields and units match your training data. "
-        "Leave anything blank if unknown - the model handles missing values.</p>"
+        "- **Prediction**: XGBoost pipeline for **Stress Gauge Factor (MPa)**.\n"
+        "- **Literature (Hybrid RAG)**: BM25 + TF-IDF + Dense embeddings with **MMR** sentence selection.\n"
+        "- **Strict mode** shows only quoted sentences with citations; **GPT-5** can paraphrase strictly from those quotes.\n"
+        "- **Local-only RAG**: drop PDFs into `literature_pdfs/` and the index will auto-refresh on restart."
     )
 
-    with gr.Row():
-        # ---------------- Inputs (Left) ----------------
-        with gr.Column(scale=7):
-            with gr.Accordion("Primary conductive filler", open=True, elem_classes=["card"]):
-                f1_type = gr.Textbox(label="Filler 1 Type", placeholder="e.g., CNT, Graphite, Steel fiber")
-                f1_dim = gr.Dropdown(DIM_CHOICES, value="NA", label="Filler 1 Dimensionality")
-                f1_diam = gr.Number(label="Filler 1 Diameter (µm)")
-                f1_len = gr.Number(label="Filler 1 Length (mm)")
-                cf_conc = gr.Number(label=f"{CF_COL}", info="Weight percent of total binder")
-
-            with gr.Accordion("Secondary filler (optional)", open=False, elem_classes=["card"]):
-                f2_type = gr.Textbox(label="Filler 2 Type", placeholder="Optional")
-                f2_dim = gr.Dropdown(DIM_CHOICES, value="NA", label="Filler 2 Dimensionality")
-                f2_diam = gr.Number(label="Filler 2 Diameter (µm)")
-                f2_len = gr.Number(label="Filler 2 Length (mm)")
-
-            with gr.Accordion("Mix design & specimen", open=False, elem_classes=["card"]):
-                spec_vol = gr.Number(label="Specimen Volume (mm3)")
-                probe_cnt = gr.Number(label="Probe Count")
-                probe_mat = gr.Textbox(label="Probe Material", placeholder="e.g., Copper, Silver paste")
-                wb = gr.Number(label="W/B")
-                sb = gr.Number(label="S/B")
-                gauge_len = gr.Number(label="Gauge Length (mm)")
-                curing = gr.Textbox(label="Curing Condition", placeholder="e.g., 28d water, 20°C")
-                n_fillers = gr.Number(label="Number of Fillers")
-
-            with gr.Accordion("Processing", open=False, elem_classes=["card"]):
-                dry_temp = gr.Number(label="Drying Temperature (°C)")
-                dry_hrs = gr.Number(label="Drying Duration (hr)")
-
-            with gr.Accordion("Mechanical & electrical loading", open=False, elem_classes=["card"]):
-                load_rate = gr.Number(label="Loading Rate (MPa/s)")
-                E_mod = gr.Number(label="Modulus of Elasticity (GPa)")
-                current = gr.Dropdown(CURRENT_CHOICES, value="NA", label="Current Type")
-                voltage = gr.Number(label="Applied Voltage (V)")
-
-        # ---------------- Output (Right) ----------------
-        with gr.Column(scale=5):
-            with gr.Group(elem_classes=["card"]):
-                out_pred = gr.Number(label="Predicted Stress GF (MPa-1)", precision=6)
-                with gr.Row():
-                    btn_pred = gr.Button("Predict", variant="primary")
-                    btn_clear = gr.Button("Clear")
-                    btn_demo = gr.Button("Fill Example")
-
-            with gr.Accordion("About this model", open=False, elem_classes=["card"]):
-                gr.Markdown(
-                    "- Pipeline: ColumnTransformer -> (RobustScaler + OneHot) -> XGBoost\n"
-                    "- Target: Stress GF (MPa^-1) on original scale (model trains on log1p).\n"
-                    "- Missing values are safely imputed per-feature.\n"
-                    "- Trained columns:\n"
-                    f"  `{', '.join(MAIN_VARIABLES)}`"
-                )
-
-    # Wire buttons
-    inputs_in_order = [
-        f1_type, f1_diam, f1_len, cf_conc,
-        f1_dim,  f2_type, f2_diam, f2_len,
-        f2_dim,  spec_vol, probe_cnt, probe_mat,
-        wb, sb, gauge_len, curing, n_fillers,
-        dry_temp, dry_hrs, load_rate,
-        E_mod, current, voltage
-    ]
-
-    def _predict_wrapper(*vals):
-        data = {k: v for k, v in zip(MAIN_VARIABLES, vals)}
-        return predict_fn(**data)
-
-    btn_pred.click(_predict_wrapper, inputs=inputs_in_order, outputs=out_pred)
-    btn_clear.click(lambda: _clear_all(), inputs=None, outputs=inputs_in_order)
-    btn_demo.click(lambda: _fill_example(), inputs=None, outputs=inputs_in_order)
-
-# ------------- Launch -------------
-if __name__ == "__main__":
-    demo.queue().launch()
+    with gr.Tabs():
+        with gr.Tab("🔮 Predict Gauge Factor (XGB)"):
+            with gr.Row():
+                with gr.Column():
+                    inputs = [
+                        gr.Textbox(label="Filler1_Type", placeholder="e.g., CNT, Graphite, Steel fiber"),
+                        gr.Dropdown(CAT_DIM_CHOICES, label="Filler1_Dimensions", value="NA"),
+                        gr.Number(label="Filler1_Diameter_um"),
+                        gr.Number(label="Filler1_Length_mm"),
+                        gr.Textbox(label="Filler2_Type", placeholder="Optional"),
+                        gr.Dropdown(CAT_DIM_CHOICES, label="Filler2_Dimensions", value="NA"),
+                        gr.Number(label="Filler2_Diameter_um"),
+                        gr.Number(label="Filler2_Length_mm"),
+                        gr.Number(label="AvgFiller_Density_g/cm3"),
+                        gr.Number(label="AvgFiller_weight_%"),
+                        gr.Number(label="AvgFiller_Volume_%"),
+                        gr.Number(label="Sample_Volume_mm3"),
+                        gr.Number(label="Electrode/Probe_Count"),
+                        gr.Textbox(label="Electrode/Probe_Material", placeholder="e.g., Copper, Silver paste"),
+                        gr.Number(label="W/B"),
+                        gr.Number(label="S/B"),
+                        gr.Number(label="GaugeLength_mm"),
+                        gr.Textbox(label="Curing_Conditions", placeholder="e.g., 28d water, 20°C"),
+                        gr.Number(label="Num_ConductiveFillers"),
+                        gr.Number(label="DryingTemperature_C"),
+                        gr.Number(label="DryingDuration_hrs"),
+                        gr.Number(label="LoadingRate_MPa/s"),
+                        gr.Number(label="ElasticModulus_Gpa"),
+                        gr.Textbox(label="Voltage_Type", placeholder="AC / DC"),
+                        gr.Number(label="Applied_Voltage_V"),
+                    ]
+                with gr.Column():
+                    out_pred = gr.Number(label="Predicted Stress_GF (MPa)", precision=6)
+                    gr.Button("Predict", variant="primary").click(predict_fn, inputs, out_pred)
+
+        with gr.Tab("📚 Ask the Literature (Hybrid RAG + MMR)"):
+            with gr.Row():
+                top_k = gr.Slider(5, 12, value=8, step=1, label="Top-K chunks")
+                n_sentences = gr.Slider(2, 6, value=4, step=1, label="Answer length (sentences)")
+                include_passages = gr.Checkbox(value=False, label="Include supporting passages")
+            with gr.Accordion("Retriever weights (advanced)", open=False):
+                w_tfidf = gr.Slider(0.0, 1.0, value=W_TFIDF_DEFAULT, step=0.05, label="TF-IDF weight")
+                w_bm25  = gr.Slider(0.0, 1.0, value=W_BM25_DEFAULT,  step=0.05, label="BM25 weight")
+                w_emb   = gr.Slider(0.0, 1.0, value=W_EMB_DEFAULT,   step=0.05, label="Dense weight (set 0 if disabled)")
+            with gr.Accordion("LLM & Controls", open=False):
+                strict_quotes_only = gr.Checkbox(value=False, label="Strict quotes only (no paraphrasing)")
+                use_llm = gr.Checkbox(value=False, label="Use GPT-5 to paraphrase selected sentences")
+                model_name = gr.Textbox(value=os.getenv("OPENAI_MODEL", OPENAI_MODEL), label="LLM model", placeholder="e.g., gpt-5 or gpt-5-mini")
+                temperature = gr.Slider(0.0, 1.0, value=0.2, step=0.05, label="Temperature")
+            gr.ChatInterface(
+                fn=rag_chat_fn,
+                additional_inputs=[top_k, n_sentences, include_passages, use_llm, model_name, temperature, strict_quotes_only, w_tfidf, w_bm25, w_emb],
+                title="Literature Q&A",
+                description="Hybrid retrieval with diversity. Answers carry inline (Doc, p.X) citations. Toggle strict/LLM modes."
+            )
+
+# Note: add share=True to expose publicly (for iframe embedding)
+demo.queue().launch()