fix4/5 in pipeline

pipeline/build_final.py

@@ -58,11 +58,31 @@ def main():
             return oid
         nextid[0] += 1
         return f"OSC-{nextid[0]}"
-    # verified score per material. A_d<=0 means no d-wave tendency -> score 0 (honest).
+    # A_d(Ne) dome table from solved materials (for particle-hole remap)
+    A_by_Ne = {s["solver_Ne"]: s["A_dwave"] for s in solved if s.get("A_dwave") is not None}
+    T_MIN = 0.01  # eV; below this the single-band effective model is ill-defined (U/t -> inf)
+    # verified score per material, with two honest fixes:
+    #   fix4: t<T_MIN (e.g. 2CuO-1 t=0.0002) -> effective model ill-defined, excluded from scoring
+    #   fix5: n_band>1 (Ne>36) -> particle-hole symmetry, A_d(Ne)=A_d(72-Ne)
+    kept, excluded = [], []
     for s in solved:
-        Ad = max(0.0, s["A_dwave"])
-        s["A_dwave_clamped"] = round(Ad, 5)
+        t = s.get("t_ev"); Ne = s.get("solver_Ne")
+        if t is None or float(t) < T_MIN:
+            s["status"] = "excluded"; s["exclude_reason"] = f"effective model ill-defined (t={t} eV < {T_MIN})"
+            excluded.append(s); continue
+        Ad = s.get("A_dwave")
+        if Ne is not None and Ne > 36:                       # electron-doped past half-filling
+            Ne_eff = 72 - Ne
+            Ad = A_by_Ne.get(Ne_eff, Ad); s["ph_mapped"] = True; s["Ne_eff"] = Ne_eff
+        if Ad is None:
+            s["status"] = "excluded"; s["exclude_reason"] = f"no solver A_d for Ne={Ne}"
+            excluded.append(s); continue
+        Ad = max(0.0, Ad)
+        s["A_dwave"] = round(Ad, 5)
         s["verified_score"] = round(s["nef_states_eV_atom"] * Ad * SCALE, 3)
+        kept.append(s)
+    print(f"[fix4/5] excluded {len(excluded)}: " + ", ".join(f"{e['material_id']}({e['exclude_reason'][:22]})" for e in excluded[:8]))
+    solved = kept
     solved.sort(key=lambda s: -s["verified_score"])
     oid_map = {s["material_id"]: osc_id_for(s["material_id"]) for s in solved}
     fml_map = {s["material_id"]: meta(s["material_id"], "formula", derive_formula(s["material_id"])) for s in solved}
@@ -100,18 +120,23 @@ def main():
     with open("active_challenge.csv", "w", newline="", encoding="utf-8") as f:
         w = csv.DictWriter(f, fieldnames=acols, extrasaction="ignore"); w.writeheader(); w.writerows(arows)
 
-    # ---- submissions.csv (verified anchors, one scale) ----
+    # ---- submissions.csv (verified anchors, one scale, with scoring breakdown) ----
     scols = ["material_id", "osc_id", "formula", "author", "method_name",
-             "provisional_score", "verified_score", "verified", "is_anchor"]
+             "provisional_score", "verified_score", "verified", "is_anchor",
+             "nef", "solver_delta", "A_dwave", "verify_note"]
     srows = []
     for s in solved:
         uid = s["material_id"]
+        nef = s["nef_states_eV_atom"]; d = s["solver_delta"]; Ad = s["A_dwave"]
+        note = (f"overdoped (δ={d:+.2f}): d-wave amplitude ≤0 → not a d-wave candidate"
+                if Ad <= 0 else f"d-wave dome, δ={d:+.2f}, A_d={Ad:.3f}")
         srows.append({
             "material_id": uid, "osc_id": oid_map[uid],
-            "formula": fml_map[uid], "author": "OSC baseline",
-            "method_name": f"precise 6x6 solver @ delta={s['solver_delta']:+.2f}",
+            "formula": fml_map[uid], "author": "OSC-66",
+            "method_name": f"precise 6×6 solver @ δ={d:+.2f}",
             "provisional_score": s["verified_score"], "verified_score": s["verified_score"],
-            "verified": "true", "is_anchor": "true"})
+            "verified": "true", "is_anchor": "true",
+            "nef": round(nef, 4), "solver_delta": d, "A_dwave": round(Ad, 5), "verify_note": note})
     with open("submissions.csv", "w", newline="", encoding="utf-8") as f:
         w = csv.DictWriter(f, fieldnames=scols, extrasaction="ignore"); w.writeheader(); w.writerows(srows)
     print(f"\nwrote active_challenge.csv ({len(arows)}) + submissions.csv ({len(srows)})")